NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7724 8.2833 117.7933 52.3898 40.2367 176.4240 3 D 4.3050 8.0343 119.0315 56.6843 40.4620 177.3601 4 I 3.8004 8.4352 120.5223 64.5953 38.0709 178.1559 5 V 3.7888 7.8235 112.5717 64.2449 31.1817 178.2896 6 A 4.0701 8.3011 120.5240 54.4607 18.2168 178.7513 7 S 4.5601 7.5734 110.3131 57.7614 63.8564 173.8480 8 T 4.5939 7.3088 121.7327 62.9682 70.3298 175.1526 9 Q 4.2161 8.8073 124.9393 57.1961 28.7249 174.0118 10 L 4.9919 7.4191 116.4403 51.4330 45.1371 174.7018 11 P 4.7460 0.0000 0.0000 63.2166 32.1651 175.8303 12 N 4.8492 9.0506 121.1672 53.2697 40.1352 174.4132 13 T 4.8598 8.7801 112.2259 59.1184 72.8188 174.7960 14 I 3.6234 8.4901 121.5143 64.4721 36.8201 178.7025 15 K 3.9403 7.9624 118.8402 59.8358 31.9656 179.4087 16 T 3.8731 7.8645 109.9207 64.7935 68.5871 176.6648 17 I 3.6746 7.9674 122.8030 64.3606 37.1471 178.3013 18 T 3.8134 8.0545 116.8103 66.6158 68.2673 175.9902 19 N 4.2223 8.3480 118.8734 56.9068 39.0974 176.4194 20 D 4.3604 8.2998 120.4809 57.4776 40.9081 178.9710 21 L 3.9375 8.2270 119.5830 57.8786 41.5582 179.8565 22 R 4.1198 7.8192 119.1645 58.7006 29.8143 179.0458 23 K 3.8659 7.7761 118.1550 59.3592 32.2157 178.2057 24 L 4.1483 7.6775 119.4198 55.9258 42.0846 177.2717 25 G 4.0355 7.7787 105.5862 45.1316 0.0000 173.6537 26 L 4.0369 8.0134 123.1469 54.4304 42.6967 175.8489 27 K 4.5306 7.9452 122.7466 54.6972 35.4991 175.4462 28 K 3.9870 7.9267 119.8977 57.7714 32.4369 176.0062 29 G 3.5165 8.5347 114.3526 45.9854 0.0000 171.4092 *31 T 4.5084 7.5435 116.5688 63.7549 70.7876 173.6998 32 V 5.0119 8.8146 125.7159 59.9885 35.1870 173.9860 33 I 4.8405 8.6279 124.7708 59.3303 39.8899 174.1161 34 V 4.8286 8.4759 129.5145 61.3783 33.7857 174.3620 35 H 5.1126 8.9411 123.9191 54.1017 32.3492 172.6807 36 S 5.0683 8.5812 115.5578 57.0131 66.3034 173.0895 37 S 4.5595 8.3483 116.3125 56.4870 63.5600 174.0985 38 L 4.0661 8.7981 129.4547 58.4104 42.1112 178.8536 39 S 4.1663 8.1045 113.8988 61.5017 62.6610 176.3004 40 S 4.1937 8.0000 117.0752 61.2191 62.5022 176.5688 41 I 3.9697 7.7495 123.6557 62.4808 36.7791 175.5218 42 G 3.8917 7.7636 104.0862 43.5960 0.0000 172.4729 43 W 4.1444 9.0937 128.9623 57.0943 31.3512 174.9914 44 I 4.4712 6.8427 125.5440 58.9535 39.1129 174.6357 45 S 3.4332 8.2307 120.8592 61.2746 61.3261 173.9741 46 G 3.9309 8.5384 117.0318 44.0952 0.0000 173.7866 47 G 3.6740 7.2140 109.5541 45.9829 0.0000 176.4165 48 A 3.9104 8.5731 124.5132 54.7420 17.9393 179.5712 49 V 3.5706 7.5335 116.2279 66.1763 31.5084 178.0740 50 A 3.9091 7.6478 120.4699 55.1469 18.2031 179.8425 51 V 3.4066 7.5652 116.1895 65.9978 31.4879 178.2280 52 V 3.3352 7.5678 116.8128 66.0828 31.4389 177.5404 53 E 3.9135 8.0643 116.8867 59.1295 29.5037 178.9929 54 A 4.1302 8.0919 120.9638 54.9720 18.3436 180.4761 55 L 3.6362 7.4853 114.2077 55.5686 41.2448 178.8032 *57 E 4.2026 8.0644 121.4153 56.3744 31.0554 177.3209 58 V 3.7385 7.8126 118.1873 66.1255 32.0283 178.1763 59 I 3.6477 8.2921 121.2446 63.1827 37.2677 176.6493 60 T 4.0419 8.1371 111.1933 60.5367 68.8511 172.3904 61 E 3.3127 8.7189 120.3032 58.4713 29.4521 178.1974 62 E 4.0468 7.9043 117.3658 57.5536 30.1265 176.2759 63 G 4.3348 7.8663 107.1097 45.0158 0.0000 172.1951 64 T 5.3201 8.2800 114.7194 62.1079 72.9911 173.1204 65 I 4.9480 9.4177 127.4159 59.8857 39.9174 174.9686 66 I 5.6616 8.8927 126.8263 57.7642 41.5816 172.1921 *68 P 4.0207 0.0000 0.0000 62.3714 32.0354 176.9237 69 T 4.7758 7.9452 112.5395 61.1621 67.8510 174.2943 70 Q 4.3206 7.9043 120.4958 56.4305 30.6608 177.7841 71 S 4.9389 8.4312 114.9916 57.0143 62.9699 175.3441 72 S 4.2944 7.8567 117.6874 61.4322 63.6315 176.6640 73 D 4.3643 8.0083 119.5412 55.3647 39.1684 176.7434 74 L 4.5303 7.9751 119.2223 55.3197 41.8236 176.9269 75 S 4.8144 8.1291 114.5689 57.0669 64.2759 173.2828 76 D 4.5865 8.6295 120.6735 53.5974 41.3708 174.7268 77 P 2.9700 0.0000 0.0000 62.6347 31.6892 178.0756 78 K 2.0000 7.5484 119.8145 59.3975 31.7626 177.2590 79 H 4.6068 6.9972 111.7807 55.4740 29.0966 175.8617 80 W 4.6001 7.3879 120.6809 57.1314 29.4844 176.6267 81 S 4.7691 8.5458 112.0125 58.7354 65.4827 173.8356 82 R 4.8041 7.6923 118.6653 54.2420 30.2579 172.0525 83 P 4.9673 0.0000 0.0000 59.4322 33.9219 174.0953 84 P 4.8472 0.0000 0.0000 62.5989 32.2140 175.6274 85 V 4.3752 8.0898 110.5473 58.3718 35.4998 174.0590 86 P 3.8724 0.0000 0.0000 62.9401 31.7512 177.3233 87 E 2.0000 8.0978 122.2001 58.3641 29.0524 178.9824 88 E 3.9168 7.6218 116.2338 58.7292 29.8955 178.4989 89 W 4.5312 8.1953 119.7081 58.6284 29.2078 178.5179 90 W 4.2540 8.0923 119.7997 59.8332 28.4893 178.2061 91 Q 3.9037 8.1059 119.0580 58.8381 28.6729 177.8511 92 I 3.6405 7.7546 120.5785 64.4270 37.1022 178.0685 93 I 3.6766 8.0497 120.7887 64.6463 36.7452 178.7955 94 R 2.5793 7.3586 117.2886 58.6478 29.7557 178.3649 95 D 4.5097 7.8489 117.0597 55.6561 41.0823 176.8384 96 N 4.9503 7.6298 114.4147 52.9346 41.0910 175.5415 97 V 3.8171 7.9086 118.7044 60.8223 31.8806 174.3167 98 P 4.4533 0.0000 0.0000 62.0825 32.0996 175.9088 99 A 4.3602 8.5233 122.5040 52.2521 19.0783 177.0380 100 F 4.3466 8.9151 123.2321 58.5219 40.4442 174.7094 101 E 4.3136 8.4812 124.6764 54.0625 32.7439 174.6252 102 P 3.6555 0.0000 0.0000 65.7019 31.5483 177.1084 103 H 4.5766 8.0350 109.9261 56.3294 28.8403 175.4724 104 I 4.2312 7.6647 119.2133 63.0585 40.2400 175.9157 105 T 3.8466 7.5001 116.8032 62.8454 68.2682 172.4457 106 P 4.3766 0.0000 0.0000 62.5866 31.9555 176.5359 107 T 4.4652 8.6178 112.2709 61.0768 69.8686 174.0035 108 R 4.3276 7.9992 121.1032 55.4134 32.8096 174.4792 109 A 3.4607 8.5581 128.4178 52.8925 15.3813 176.4252 *111 G 3.7775 7.3829 108.4702 43.6150 0.0000 171.0952 112 K 4.1319 8.3003 119.1952 58.8219 31.9843 180.0565 113 V 3.5718 7.6708 118.6731 65.8492 31.4577 178.0535 114 V 3.6808 7.7035 117.5509 66.1242 31.2727 177.6195 115 E 3.9839 8.0092 117.2848 59.4814 29.4143 178.7783 116 C 4.3097 8.1276 118.5369 62.3712 31.7598 175.1540 117 F 4.2381 8.5420 122.8393 61.4920 38.7820 177.2856 118 R 3.8631 8.2728 114.0931 58.5689 29.2956 177.8667 119 T 4.2434 7.4532 109.0829 61.8511 69.9669 174.8138 120 Y 4.0221 7.4966 120.9124 56.8556 38.5774 173.7642 121 P 4.4003 0.0000 0.0000 64.5479 31.6457 176.6039 122 N 4.5373 8.9651 116.8093 53.3240 36.5427 174.3288 123 V 4.1796 7.5098 118.7825 62.5369 32.1817 175.6320 124 V 4.5912 8.6845 120.8152 59.5558 34.8167 174.5646 125 R 5.2580 8.3737 123.1093 54.3595 32.5682 175.3697 126 S 4.6910 9.4420 121.5413 58.2119 64.0809 173.6150 127 N 4.9588 8.6041 116.2235 52.9544 37.2142 174.4356 128 H 4.0060 7.8075 120.4234 55.2048 30.4173 174.2994 129 P 2.9700 0.0000 0.0000 64.3561 31.8197 176.7216 130 L 4.5804 7.7976 117.8327 54.4193 44.9595 177.6673 131 G 4.4146 7.7528 104.6160 45.4426 0.0000 173.3782 132 S 4.9095 7.9215 114.0222 58.0660 65.3481 173.4908 133 F 5.2813 9.4673 118.0301 55.7578 43.3878 173.8922 134 A 5.4832 8.8743 121.5064 50.5163 22.3525 175.1634 135 A 5.4554 9.1354 120.9291 50.4253 23.4930 175.1327 136 W 5.1304 10.1140 129.8973 56.7444 34.6120 173.3963 137 G 2.9696 8.1499 110.7608 43.9065 0.0000 173.7992 138 R 3.6123 8.3101 119.5862 59.5676 30.2345 179.0718 139 H 4.8665 8.1086 112.7751 55.5286 29.0435 176.4958 140 A 4.0379 7.6589 126.0625 55.4945 18.2628 180.5710 141 E 3.8784 8.0291 116.2926 59.6110 29.5044 178.9022 142 E 3.9518 8.1348 117.3785 59.5254 29.7406 178.4947 143 I 3.8616 7.8721 119.2033 63.9134 37.2921 177.6401 144 T 4.3308 7.5931 107.8851 61.2557 68.3738 175.4731 145 V 3.8849 7.2241 122.2625 62.3823 32.4126 175.6880 146 N 4.3873 8.7689 116.8673 54.2118 35.7881 174.4573 147 Q 4.1719 7.3351 118.7230 56.1609 30.0088 175.8604 148 S 4.3151 8.4447 119.5052 57.7900 63.3998 174.4039 149 L 3.7435 8.3392 128.9444 58.3918 42.0409 179.1188 150 S 5.3709 7.8080 116.4672 58.0917 60.2893 173.5279 *152 S 4.7244 7.9624 117.3409 57.5167 64.8234 175.6743 153 L 4.7546 8.2396 118.9730 54.2360 42.6933 177.3883 154 G 4.1828 7.6920 111.8358 45.5903 0.0000 176.4233 155 E 4.0491 8.8336 120.7846 58.3607 29.7756 177.2109 156 E 4.4732 8.0471 116.6678 55.8548 30.2372 175.8374 157 S 4.5558 7.6166 115.2489 56.4116 64.7131 173.3812 158 P 4.1615 0.0000 0.0000 65.5935 30.7568 178.9427 159 L 3.8756 7.3584 117.7344 57.6918 41.4789 179.4426 160 R 3.9173 7.8934 118.5978 59.2115 30.0184 178.7469 161 K 4.0253 7.7648 118.0350 59.1924 32.1289 179.2832 162 I 3.6916 7.7596 120.3625 64.3074 36.9270 177.5298 163 Y 4.2420 7.7880 121.5185 60.3874 38.3791 178.2174 164 D 4.4659 8.1795 118.0436 57.1838 41.0173 178.0293 165 L 4.1612 7.6485 116.5838 54.1464 42.0923 176.0643 166 D 4.0711 8.1803 118.0369 54.9482 40.2172 173.4203 167 G 4.0474 7.8452 105.2125 46.1339 0.0000 172.6116 168 Y 5.0909 9.2030 116.6893 56.0618 41.9097 175.2129 169 I 5.0072 8.3290 121.1320 59.5038 40.6280 174.1606 170 L 4.9117 9.0492 129.4512 53.2715 44.5218 174.7293 171 L 5.0645 9.0326 127.0326 53.1267 44.3167 175.5768 172 I 4.2233 8.7575 126.1595 59.8052 38.7372 176.1545 173 G 3.9259 8.7773 114.0662 45.8753 0.0000 172.0840 174 V 4.4892 7.4688 110.8641 59.2895 35.6962 175.2067 175 G 4.2326 8.0449 110.0429 44.2675 0.0000 173.8550 176 Y 3.8918 8.7027 115.5618 60.5974 37.9581 178.1326 177 D 4.5662 8.2911 118.1417 55.5643 39.6015 176.9583 178 S 4.5310 8.0041 114.8922 58.6125 63.4667 174.7490 179 N 4.3875 8.0465 121.6816 52.0003 37.1674 174.8943 180 T 4.0855 8.0811 120.2391 66.6330 68.8215 175.3578 181 S 4.1603 8.2322 116.2930 61.6974 62.7475 176.5770 182 V 3.5400 7.6428 120.1752 65.3420 31.0333 177.5878 183 H 4.7019 8.3639 116.2654 59.0247 28.3955 177.2119 184 L 4.0379 8.0395 122.4572 58.1749 41.7417 179.0912 185 S 4.3023 7.9655 115.9880 61.0539 62.8446 176.3764 186 E 3.5242 8.0881 120.8462 59.2239 29.2302 179.4970 187 V 3.5779 7.9199 118.0675 66.3329 31.4591 178.3183 188 R 3.9819 8.0339 116.5698 58.7906 29.9880 178.3569 189 S 4.5653 8.0948 111.6425 57.6026 62.9003 174.4085 190 G 3.8625 7.9865 110.8526 46.7013 0.0000 175.4023 191 A 3.8769 7.8621 122.6627 53.3053 18.4776 177.9307 192 C 4.8828 7.0251 112.5961 57.3465 31.8851 173.6084 193 E 4.2547 8.2634 120.1097 55.8963 29.9531 176.8163 194 L 4.5114 8.0806 121.3064 54.6610 42.7523 176.4235 195 I 4.6605 8.9066 117.8693 59.3174 41.5265 175.2462 196 K 4.5517 8.6313 127.3706 55.5122 32.1757 177.1203 197 V 4.4293 8.6660 118.8012 58.6802 35.9900 174.5313 198 G 4.1000 7.7424 106.9322 45.4513 0.0000 171.8675 199 A 4.2321 6.8969 119.0741 50.2693 23.4343 173.6316 200 P 5.3037 0.0000 0.0000 61.9618 33.4018 174.9681 201 I 5.1078 8.9978 116.5983 59.3021 41.9250 173.8094 202 I 4.7775 8.3761 123.0490 59.8586 38.7463 175.4856 203 E 4.3060 9.3695 128.4226 55.1210 29.9285 174.7353 204 N 4.4405 9.6948 119.7714 54.8292 36.6486 174.5253 205 G 4.0396 8.0587 106.4222 45.3572 0.0000 170.9118 206 E 4.6841 7.7308 119.9444 54.4110 31.7709 175.5235 207 R 4.5863 8.6117 124.8982 56.4627 31.0711 175.6958 208 V 4.5671 9.3108 125.9200 60.7504 35.2583 173.9786 209 W 4.7582 9.1063 135.0000 57.0310 31.4203 174.8000 210 K 4.4833 8.4813 129.8941 54.7888 33.6483 174.6843 211 E 5.0526 8.7332 127.1628 55.4657 31.1456 175.2612 212 F 4.9490 8.8907 118.3919 56.1121 42.4402 172.6148 213 V 4.7696 8.3414 118.0769 61.0988 34.3293 172.3697 214 D 4.4953 8.8214 129.3398 54.3655 47.3800 176.3979 *216 D 4.4943 9.0556 109.5613 53.9609 40.8088 172.2248 217 Y 4.3899 7.6444 118.7976 57.6078 38.8928 175.7625 218 D 4.4439 9.0870 123.8964 53.0846 43.2687 174.9704 219 S 2.7900 8.5967 120.7229 58.3247 63.1281 175.6971 220 D 4.2084 7.7429 120.4472 57.8610 41.3481 178.3514 221 K 4.3776 8.0860 116.1950 56.9196 32.4653 178.7862 222 F 4.1889 8.2970 120.1001 60.5471 38.8490 177.4430 223 V 3.6057 7.8868 117.2933 66.1318 31.5203 177.4771 224 E 3.8707 8.0645 118.3946 59.3272 29.4891 178.6224 225 I 3.0698 7.4795 120.0733 63.9989 36.9241 178.6840 226 G 2.3569 7.6596 106.5830 46.9981 0.0000 175.8920 227 V 3.4272 7.1284 119.6690 65.8654 31.9071 177.3936 228 E 4.0744 7.9409 118.5330 59.1664 29.6002 178.4083 229 F 2.9380 8.2677 120.9033 61.0436 39.3675 176.8039 230 E 3.6784 8.1525 117.2458 58.2118 28.9712 178.9299 231 Q 4.0332 7.5729 119.8021 58.6156 28.0776 178.2276 232 K 4.2276 7.6243 123.2747 56.0539 31.6295 182.4552 233 G 3.9246 7.6225 106.3796 47.9725 0.0000 174.3777 234 T 4.4416 6.8900 104.0559 60.7623 69.0730 173.6832 235 V 4.5141 7.4656 121.6315 62.3170 33.7636 175.6161 236 T 4.1928 8.5947 125.4365 62.8937 70.8876 173.6413 *238 G 4.0249 8.4031 108.0358 46.6793 0.0000 172.1260 239 K 5.6276 8.3988 118.3418 53.7309 34.4775 176.5452 240 I 4.4386 8.0961 123.3659 60.0908 38.9352 176.1811 241 G 3.7457 8.8742 118.5900 46.9776 0.0000 175.5278 242 N 4.4396 9.5312 122.1791 54.9813 38.8476 175.2084 243 A 4.2020 8.0764 124.2100 52.1718 19.8419 177.5591 244 K 4.5230 8.7096 126.2232 55.2137 32.8340 173.4714 245 C 5.4553 9.0776 123.1908 57.1063 32.0057 173.8979 246 R 4.9346 8.7040 118.5614 54.6715 34.1844 174.2234 247 L 5.5337 8.6640 124.6446 52.1482 46.1648 175.4401 *249 K 3.9428 8.3651 121.8337 56.0494 33.3708 177.0469 250 Q 3.9840 8.7202 124.1296 59.2724 28.9455 178.8266 251 R 3.6965 7.6039 118.6827 58.9903 30.0356 178.4192 252 D 4.3754 7.9042 118.2561 57.6373 40.8861 178.6559 253 I 2.8597 7.0750 117.6527 63.3346 37.8758 177.9698 254 V 3.8061 7.7998 120.6942 65.5831 31.5337 177.8375 255 D 4.4153 8.6456 119.0371 57.2416 40.6118 178.2753 256 F 4.1514 8.4004 121.3486 61.4687 39.3009 177.3755 257 G 3.5420 8.5353 105.4986 48.0156 0.0000 175.6387 258 T 4.1155 8.2870 120.5632 67.2199 68.5557 177.1216 259 E 4.0257 8.0095 119.7127 60.7419 29.4647 180.6682 260 W 3.9499 7.8382 128.6155 60.4618 31.0815 177.7637 261 F 4.7035 8.5477 117.7362 60.8160 38.0989 177.9697 262 R 4.0056 7.8804 116.8749 59.1772 29.9593 179.0287 263 K 3.8996 7.6576 117.1420 57.2772 32.0110 177.2661 264 K 4.2164 7.3521 122.3845 56.6328 32.4132 175.8447 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 N 8.28 4.77 0.00 2.67 2.89 0.00 0.00 6.77 7.19 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 3 D 8.03 4.31 0.00 2.78 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 4 I 8.44 3.80 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.52 1.06 0.00 0.00 5 V 7.82 3.79 1.81 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 0.70 0.00 0.00 0.85 0.00 0.00 6 A 8.30 4.07 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 7 S 7.57 4.56 0.00 4.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.31 4.59 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 1.34 0.00 0.00 9 Q 8.81 4.22 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.77 0.00 0.00 0.00 0.00 0.00 2.26 1.94 0.00 10 L 7.42 4.99 0.00 1.61 1.59 0.93 1.03 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 11 P 0.00 4.75 0.00 2.12 2.50 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 12 N 9.05 4.85 0.00 2.73 2.68 0.00 0.00 6.45 6.34 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 13 T 8.78 4.86 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 14 I 8.49 3.62 1.85 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 1.77 0.53 0.88 0.00 0.00 15 K 7.96 3.94 0.00 1.79 1.85 0.00 1.67 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.49 7.81 16 T 7.86 3.87 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 1.22 0.00 0.00 17 I 7.97 3.67 1.89 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 1.47 0.68 0.85 0.00 0.00 18 T 8.05 3.81 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 19 N 8.35 4.22 0.00 2.87 3.00 0.00 0.00 7.25 9.25 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 20 D 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0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.61 0.00 0.00 183 H 8.36 4.70 0.00 3.37 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 L 8.04 4.04 0.00 1.79 1.80 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 185 S 7.97 4.30 0.00 4.33 4.13 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 0.00 186 E 8.09 3.52 0.00 2.38 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 1.91 2.31 0.00 187 V 7.92 3.58 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.18 0.00 0.00 188 R 8.03 3.98 0.00 1.84 1.98 0.00 3.10 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 189 S 8.09 4.57 0.00 4.16 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 0.00 190 G 7.99 3.86 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 0.00 0.00 0.00 191 A 7.86 3.88 0.73 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 0.00 192 C 7.03 4.88 0.00 2.93 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 0.00 193 E 8.26 4.25 0.00 1.89 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 2.26 2.23 0.00 194 L 8.08 4.51 0.00 1.48 1.53 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 195 I 8.91 4.66 1.69 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.74 0.79 0.00 0.00 196 K 8.63 4.55 0.00 1.57 1.67 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.04 7.81 197 V 8.67 4.43 1.63 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 0.45 0.00 0.00 -0.27 0.00 0.00 198 G 7.74 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 0.00 0.00 0.00 199 A 6.90 4.23 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 0.00 200 P 0.00 5.30 0.00 2.39 2.58 0.00 3.73 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 201 I 9.00 5.11 1.87 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 1.37 0.92 0.80 0.00 0.00 202 I 8.38 4.78 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.93 1.01 0.00 0.00 203 E 9.37 4.31 0.00 1.98 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 2.23 0.00 204 N 9.69 4.44 0.00 2.73 2.78 0.00 0.00 7.24 7.98 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 0.00 205 G 8.06 4.04 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 0.00 0.00 0.00 206 E 7.73 4.68 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 207 R 8.61 4.59 0.00 1.88 1.89 0.00 3.25 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 208 V 9.31 4.57 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 1.00 0.00 0.00 0.97 0.00 0.00 209 W 9.11 4.76 0.00 3.54 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 0.00 210 K 8.48 4.48 0.00 1.76 1.47 0.00 1.55 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.23 1.40 7.81 211 E 8.73 5.05 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 212 F 8.89 4.95 0.00 3.05 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 0.00 213 V 8.34 4.77 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 0.90 0.00 0.00 0.93 0.00 0.00 214 D 8.82 4.50 0.00 2.80 1.63 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 *216 D 9.06 4.49 0.00 2.67 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 Y 7.64 4.39 0.00 2.96 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 0.00 218 D 9.09 4.44 0.00 2.56 2.51 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 0.00 219 S 8.60 2.79 0.00 3.46 3.51 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 0.00 220 D 7.74 4.21 0.00 2.91 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 0.00 221 K 8.09 4.38 0.00 2.15 1.75 0.00 2.18 0.00 0.00 2.15 0.00 0.00 3.17 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.74 1.91 7.81 222 F 8.30 4.19 0.00 3.15 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 V 7.89 3.61 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 1.05 0.00 0.00 1.00 0.00 0.00 224 E 8.06 3.87 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 225 I 7.48 3.07 1.52 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.68 0.00 0.00 226 G 7.66 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 V 7.13 3.43 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.95 0.00 0.00 228 E 7.94 4.07 0.00 2.28 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 2.72 2.51 0.00 229 F 8.27 2.94 0.00 2.36 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 0.00 230 E 8.15 3.68 0.00 1.88 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 0.00 2.25 2.41 0.00 231 Q 7.57 4.03 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 232 K 7.62 4.23 0.00 1.79 1.79 0.00 1.95 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.32 7.81 233 G 7.62 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 0.00 234 T 6.89 4.44 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 1.21 0.00 0.00 235 V 7.47 4.51 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 0.98 0.00 0.00 0.99 0.00 0.00 236 T 8.59 4.19 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 *238 G 8.40 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 0.00 239 K 8.40 5.63 0.00 1.73 1.90 0.00 1.89 0.00 0.00 2.36 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.38 7.81 240 I 8.10 4.44 1.84 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 1.31 0.88 0.87 0.00 0.00 241 G 8.87 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 242 N 9.53 4.44 0.00 2.94 2.90 0.00 0.00 6.90 7.15 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 0.00 243 A 8.08 4.20 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 0.00 244 K 8.71 4.52 0.00 1.46 1.72 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.75 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.44 1.04 7.81 245 C 9.08 5.46 0.00 2.89 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 0.00 246 R 8.70 4.93 0.00 1.65 1.74 0.00 3.06 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 247 L 8.66 5.53 0.00 1.74 1.49 1.01 0.33 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 *249 K 8.37 3.94 0.00 1.72 1.47 0.00 1.49 0.00 0.00 0.71 0.00 0.00 2.74 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 1.21 7.81 250 Q 8.72 3.98 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 251 R 7.60 3.70 0.00 1.58 1.59 0.00 2.93 0.00 0.00 2.75 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.06 0.00 252 D 7.90 4.38 0.00 2.94 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 0.00 253 I 7.08 2.86 1.07 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.13 0.83 0.00 0.00 254 V 7.80 3.81 2.38 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 1.39 0.00 0.00 1.09 0.00 0.00 255 D 8.65 4.42 0.00 2.85 2.80 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 0.00 256 F 8.40 4.15 0.00 3.35 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 0.00 257 G 8.54 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 0.00 258 T 8.29 4.12 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 259 E 8.01 4.03 0.00 2.01 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 0.00 2.24 2.19 0.00 260 W 7.84 3.95 0.00 2.82 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 0.00 261 F 8.55 4.70 0.00 3.37 3.08 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 0.00 262 R 7.88 4.01 0.00 1.98 1.98 0.00 3.17 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.94 0.00 263 K 7.66 3.90 0.00 1.56 1.66 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.51 7.81 264 K 7.35 4.22 0.00 1.84 1.83 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.51 7.81 * Residues marked with a * may have inaccurate shift predictions.