NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 54 C 4.1916 8.2027 120.8276 59.0410 32.6444 171.5121 *56 V 4.1686 8.0617 118.1796 62.4125 32.2299 174.1637 57 P 5.0324 0.0000 0.0000 62.0664 33.1825 175.6209 58 V 4.0514 8.4353 121.4169 61.1198 34.3921 174.3105 59 V 4.1402 8.0296 128.2231 60.7647 32.8147 174.9000 60 F 4.5841 8.4865 128.3292 56.6524 39.7131 174.9232 61 P 4.5419 0.0000 0.0000 63.7383 31.1904 175.4735 62 G 4.1857 7.5912 107.2601 43.8247 0.0000 171.1197 63 P 4.4632 0.0000 0.0000 62.6541 32.1678 176.9366 64 V 4.7242 7.8955 121.2866 59.9499 33.4578 174.6644 *66 Q 4.3541 8.6202 117.1084 56.7573 30.6967 178.2222 67 E 4.0596 7.9187 116.6396 58.5774 29.3999 179.1789 68 G 3.1356 7.8349 105.7419 47.9699 0.0000 175.3992 69 C 3.6687 7.3078 119.0898 61.9803 28.1296 175.3463 70 C 2.4610 7.0101 120.1409 62.2893 30.9862 175.8711 71 Q 3.8631 7.5833 119.2651 58.8268 28.1871 178.6766 72 F 4.5104 7.9021 119.2589 60.9879 38.8936 177.9476 73 T 3.9843 7.9217 115.2224 66.9778 68.3471 176.8223 74 C 4.1956 8.2355 118.8663 62.7650 28.0052 176.0537 75 E 4.0940 8.4864 120.3486 58.9701 29.0527 178.9722 76 L 4.1868 8.3047 120.5967 58.1396 41.9933 178.4232 77 L 3.9246 8.0544 119.1808 58.4098 42.0408 178.5215 78 K 3.8771 7.7699 116.7269 59.9277 32.2693 178.4008 79 H 4.3699 8.5829 118.3011 59.1759 29.7561 178.6354 80 I 3.2590 7.8150 120.5352 61.4152 36.8851 177.5187 *82 Y 4.4785 7.8474 121.6591 57.7998 40.2229 177.1369 83 Q 3.5311 7.9231 117.2962 58.3963 27.7043 177.4980 84 R 4.3617 7.9821 115.7617 55.5346 30.1296 176.3896 85 Q 3.4982 7.6150 115.4544 57.2935 26.7419 174.6113 86 Q 4.4047 7.4177 116.5940 56.4052 29.6764 175.9683 87 L 4.7116 7.3509 117.1861 52.0891 45.3294 174.7996 88 P 4.4345 0.0000 0.0000 64.5587 31.9815 176.0806 89 L 4.8019 7.5242 116.8106 51.2059 45.8953 174.2679 90 P 4.1140 0.0000 0.0000 63.0760 32.9723 176.7506 91 Y 4.1290 8.7534 121.4410 61.2845 38.3781 178.4476 92 E 4.0099 8.1531 117.9369 58.6889 29.6699 178.0392 93 Q 4.1826 7.9489 117.8380 58.6075 28.6566 178.0802 94 L 4.0629 7.5905 119.4131 57.2518 41.7239 179.0458 95 K 4.0600 7.4011 117.3752 57.7966 32.5481 176.3887 96 H 4.8616 7.5492 113.7652 54.9512 28.6715 173.8205 *124 C 3.9593 8.1000 119.9825 59.6441 32.7405 173.7620 125 Q 4.4896 7.4583 115.1485 55.3210 31.0622 177.3748 126 Q 3.8534 8.1294 118.3874 59.2113 29.3251 177.8102 127 A 4.0722 7.6143 121.0476 54.8149 18.2721 179.1008 128 L 4.1843 7.5247 119.4395 58.0267 42.1126 178.9471 129 A 4.0255 7.9317 120.9417 54.8633 18.2532 179.1813 130 E 3.9703 8.2429 117.4562 59.3586 29.8648 178.6467 131 L 3.9134 8.1667 120.0944 58.3176 42.1472 178.4186 132 E 4.0255 8.5990 118.8967 59.7638 29.3563 179.6548 133 S 3.8394 8.1482 112.6879 61.3080 62.5709 176.0541 134 V 3.6098 7.8901 121.0011 66.1832 31.3273 177.9623 135 L 3.9600 8.4083 118.6737 57.8979 41.5636 179.4877 136 S 4.0477 8.3488 113.4336 61.7589 62.3259 175.8983 137 H 4.1663 8.2919 119.2717 58.6624 28.1725 177.6618 138 L 4.4129 8.6873 121.4021 58.0409 41.5216 179.3163 139 E 4.0444 8.2213 118.0666 59.6873 29.2186 179.1801 140 D 4.4397 7.8544 117.0169 57.2831 41.1887 178.3596 141 F 4.2697 8.5538 121.0827 61.5507 38.7319 177.3272 142 F 4.1051 8.9091 117.2246 60.2647 38.3996 177.4843 143 A 4.2393 8.1765 119.8380 54.6571 18.1539 178.9892 144 R 4.2258 7.5090 115.1203 56.9566 31.1772 176.4830 145 T 4.4784 6.2781 110.8810 60.0511 70.4284 173.0901 146 L 4.0155 8.5134 126.1138 55.1327 42.2101 176.8978 147 V 4.2978 8.1232 120.5729 59.1902 32.8636 173.1988 148 P 3.7481 0.0000 0.0000 64.9297 32.4962 176.4242 149 R 5.1281 7.3680 117.4375 54.5676 34.9623 174.3261 150 V 4.9765 8.9712 121.6694 61.2081 34.9137 174.1456 151 L 5.5389 8.7929 125.4366 53.0805 45.7688 175.5100 152 I 4.9963 9.3081 123.2118 59.8048 40.6110 174.3003 153 L 5.3654 9.1341 127.9195 52.8489 44.6287 175.7318 154 L 5.1186 9.3602 124.3215 53.8755 45.0575 177.9376 155 G 4.0750 9.9193 113.3090 45.0038 0.0000 174.2694 156 G 3.7292 8.4533 107.0530 46.6969 0.0000 172.5457 157 N 5.0655 8.5801 120.7728 50.0964 40.5021 175.2129 158 A 4.2527 8.7492 120.5910 55.3997 18.2788 178.9609 159 L 4.1238 7.4291 113.6708 56.6986 42.5706 177.3981 160 S 4.5635 8.5069 113.2890 55.6988 62.1078 171.1191 161 P 5.4394 0.0000 0.0000 61.2964 32.7296 177.6932 162 K 4.3689 8.5753 119.2088 59.3212 32.5488 177.1461 163 E 5.1476 8.5959 116.4183 55.1623 33.4156 174.1538 164 F 5.5265 8.8477 115.0365 55.9867 41.9365 172.5751 165 Y 5.0816 9.6189 117.8413 56.2291 41.6703 174.1042 166 E 5.3561 9.3743 124.0733 54.3523 33.2647 174.1083 167 L 5.0429 8.9363 128.4643 53.4976 44.5516 174.3064 168 D 5.0944 9.6406 128.0857 52.8161 42.8824 176.3093 169 L 4.7842 8.9163 126.0998 54.4135 42.3603 178.7712 170 S 3.7002 8.5202 115.3494 60.9403 62.8172 175.3171 171 L 4.4233 7.8246 118.1364 55.1572 41.8681 176.8423 172 L 4.3616 7.8426 118.9798 53.7111 42.3281 176.6677 173 A 4.1328 8.4532 123.9572 52.2597 18.6195 176.0971 174 P 4.5775 0.0000 0.0000 63.6893 31.2773 177.0043 *178 D 4.5880 7.9006 118.8247 53.9097 42.6188 175.8030 179 Q 4.1839 7.9480 121.2228 56.1518 29.5860 175.8753 180 S 4.4432 8.6012 119.2842 59.2163 64.3051 174.4369 181 L 4.1669 7.6800 119.7445 55.2296 41.1264 177.3857 182 S 4.4524 8.3646 116.8590 57.9772 65.4821 175.5339 183 T 3.8723 8.3415 118.6700 66.7064 68.2269 176.4237 184 A 4.0142 8.1434 121.9382 55.4575 18.3522 179.4370 185 A 4.0113 7.7795 119.0930 55.4426 18.3609 179.7156 186 C 4.1459 8.1078 115.2770 62.8284 28.0846 176.0444 187 L 4.0597 8.6024 121.2293 58.1258 41.3135 180.0211 188 R 4.0827 8.2409 115.5726 58.9423 29.3766 178.8360 189 R 3.8775 8.1446 119.8839 59.1884 30.2411 178.1457 190 L 3.7260 8.0712 120.2237 58.3124 42.0597 179.0725 191 F 4.3306 8.4042 117.9555 60.3161 38.5641 177.6878 192 R 3.9259 8.3914 118.0780 59.3776 29.9394 178.0848 193 A 4.1564 7.8148 119.4877 55.3196 18.8040 179.4186 194 I 3.8968 7.7470 117.9018 64.2338 37.0509 178.9337 195 F 4.2511 8.2676 117.9048 58.9505 38.8469 176.0519 *197 A 4.1341 7.8363 117.9137 50.1307 20.1441 176.5520 198 D 4.1662 8.1729 114.1903 54.7750 40.1168 173.7063 199 A 3.8598 7.4721 118.7725 52.6575 18.9982 177.4355 200 F 4.2247 8.1008 114.6671 58.1900 36.2628 176.2912 201 S 4.6063 8.1428 112.0295 58.0832 63.1517 173.7577 202 E 4.0564 8.0116 121.7807 57.1696 29.8051 177.7377 203 L 4.0877 8.5602 123.7887 57.3529 42.3303 177.6366 204 Q 4.0391 7.8230 117.9890 55.5108 29.6334 175.2093 205 A 4.1340 8.4060 128.1000 51.3972 19.0998 175.5821 206 P 4.6910 0.0000 0.0000 60.6752 33.0746 173.7377 207 P 4.5372 0.0000 0.0000 61.7274 32.2453 175.5752 208 L 4.1310 8.2522 119.1539 55.2325 42.5826 177.0101 *210 G 3.7664 8.4151 106.1215 46.6103 0.0000 171.7507 211 T 5.2024 9.1769 121.4145 61.7899 71.1516 173.3957 212 V 4.4896 9.1900 127.4010 61.5423 33.4370 175.2264 213 V 5.1453 8.6420 126.4394 60.5009 34.7682 173.8532 *215 A 4.7440 8.2056 123.9063 51.9732 20.0649 175.9879 216 Q 4.7062 8.4827 119.2647 55.6495 30.7322 175.2531 217 G 4.1844 8.8247 107.2091 43.3042 0.0000 172.1300 218 H 3.7163 8.5968 121.6686 55.5375 30.1361 176.3304 219 R 3.9107 8.1608 122.9255 59.2730 27.9138 177.0144 220 N 4.8707 8.0475 113.3656 52.8856 38.7891 176.1456 221 C 3.9727 8.0962 114.7741 59.6417 29.8429 174.8495 222 G 3.9400 7.6861 108.6592 44.9318 0.0000 173.1595 223 E 4.0722 8.0375 120.1591 56.6432 29.8113 176.1402 224 D 5.0359 8.9409 122.7630 52.7936 40.8003 175.1966 225 W 4.5638 8.5757 127.0272 59.1286 32.5904 175.6279 226 F 4.0729 9.3439 116.6142 57.8735 39.2132 174.5512 227 R 4.7856 8.9107 121.7381 53.9113 32.3270 174.1791 228 P 4.1200 0.0000 0.0000 62.2746 32.3519 176.8785 229 K 4.6159 8.6559 121.9596 54.3822 31.7733 177.1414 230 L 4.0789 8.2744 121.6066 56.8767 42.2306 178.0856 231 N 4.9549 7.9351 113.6976 52.7663 39.1940 173.9472 232 Y 4.1046 8.0057 120.0845 57.6541 39.3480 175.6194 233 R 4.3356 6.7480 123.9204 53.6335 33.4104 175.5119 234 V 3.1654 8.2214 122.4392 62.2110 31.9084 173.9365 235 P 4.1691 0.0000 0.0000 63.1303 31.5766 176.2251 236 S 4.7331 8.5243 114.3056 58.0162 63.8010 173.6081 237 R 4.6431 7.6378 116.3807 55.5163 32.5377 175.4805 238 G 3.9287 8.7672 105.9718 45.3728 0.0000 172.9341 239 H 2.9838 7.6490 119.6136 55.7672 30.3541 174.2051 240 K 4.1275 7.4912 125.7841 57.4575 34.1625 176.4622 241 L 4.5648 6.5533 118.8303 54.1443 45.5277 173.8635 242 T 5.1240 8.5840 121.6556 61.7656 71.5977 173.4810 243 V 4.4078 8.8840 126.4749 61.6121 33.8273 174.3579 244 T 4.9033 8.9358 126.0661 62.0219 70.3370 173.5053 245 L 5.0102 8.6471 127.8103 53.4023 43.4402 176.2703 246 S 4.9105 8.5843 117.2279 56.7670 67.4292 173.7988 247 C 5.2036 8.2305 113.3178 57.3036 28.9692 174.3232 248 G 3.9437 8.3267 103.5504 47.4421 0.0000 173.9673 249 R 4.4308 7.8664 115.0200 54.2772 30.7179 174.0154 250 P 4.4107 0.0000 0.0000 64.0310 32.2412 176.4831 251 S 4.5323 7.7354 122.4013 55.5490 63.8370 172.9757 252 I 4.4937 7.9025 125.9173 58.8677 39.6900 176.2418 253 R 3.9368 8.3067 121.6932 56.9051 30.3362 177.9684 254 T 3.9626 8.5649 115.9788 64.3744 67.4232 174.5337 255 T 4.5989 7.5699 111.0629 61.2590 69.4004 176.1342 256 A 3.6989 7.7512 127.3710 55.6328 18.5144 180.0642 257 W 4.7556 7.6923 114.3544 56.3796 29.8755 178.2979 258 E 4.0148 7.8258 119.1171 59.8292 29.0660 178.5620 259 D 4.8453 8.3063 116.4427 54.4569 41.2535 174.7558 260 Y 5.0134 7.8951 117.0597 56.3691 39.8936 175.2840 261 I 4.7132 8.5671 115.6874 58.6290 41.9560 174.4126 262 W 4.6451 8.6219 122.7210 56.8303 30.1046 175.3910 263 F 5.4279 9.5341 122.5481 55.8012 42.1089 174.5397 264 Q 4.7529 9.0727 121.5521 53.9852 32.2938 174.1401 265 A 3.4811 9.0612 128.9460 51.8250 18.5316 175.8214 266 P 4.1464 0.0000 0.0000 63.4596 32.0260 176.5994 267 V 4.4864 6.8467 111.5798 59.8913 35.1149 174.6123 268 T 4.7226 8.3232 119.2625 62.3659 70.2741 173.9113 269 F 4.6613 9.1654 128.6332 57.2436 40.9629 174.3174 270 K 4.4441 7.7039 125.8183 54.3788 33.1309 176.7556 271 G 4.3237 8.8866 112.4588 46.0317 0.0000 173.1910 272 F 4.6315 8.7566 116.0348 56.9253 38.0489 174.3012 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 54 C 8.20 4.19 0.00 2.90 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *56 V 8.06 4.17 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 0.97 0.00 0.00 0.88 0.00 0.00 57 P 0.00 5.03 0.00 2.04 1.98 0.00 3.71 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 58 V 8.44 4.05 1.59 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 0.19 0.00 0.00 0.72 0.00 0.00 59 V 8.03 4.14 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 0.85 0.00 0.00 0.85 0.00 0.00 60 F 8.49 4.58 0.00 3.24 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 61 P 0.00 4.54 0.00 2.22 2.20 0.00 4.00 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 2.06 2.03 0.00 62 G 7.59 4.19 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 0.00 63 P 0.00 4.46 0.00 2.22 2.10 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 64 V 7.90 4.72 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 1.03 0.00 0.00 1.02 0.00 0.00 *66 Q 8.62 4.35 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 67 E 7.92 4.06 0.00 1.95 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 2.35 2.32 0.00 68 G 7.83 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 C 7.31 3.67 0.00 3.00 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 70 C 7.01 2.46 0.00 2.37 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 71 Q 7.58 3.86 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 72 F 7.90 4.51 0.00 3.11 2.94 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 0.00 0.00 0.00 0.00 73 T 7.92 3.98 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 1.40 0.00 0.00 74 C 8.24 4.20 0.00 2.93 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 75 E 8.49 4.09 0.00 2.38 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 0.00 2.59 2.61 0.00 76 L 8.30 4.19 0.00 1.85 1.92 1.04 0.46 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 77 L 8.05 3.92 0.00 1.73 1.93 0.93 0.56 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 78 K 7.77 3.88 0.00 1.89 1.83 0.00 1.79 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.88 1.36 7.81 79 H 8.58 4.37 0.00 3.38 3.68 0.00 5.79 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 80 I 7.81 3.26 1.81 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.55 0.39 0.00 0.00 *82 Y 7.85 4.48 0.00 2.97 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 7.92 3.53 0.00 1.02 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 7.08 0.00 0.00 0.00 0.00 0.00 2.06 1.54 0.00 84 R 7.98 4.36 0.00 1.86 1.94 0.00 3.55 0.00 0.00 3.55 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.95 0.00 85 Q 7.61 3.50 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.24 6.83 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 86 Q 7.42 4.40 0.00 2.41 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.06 6.76 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 87 L 7.35 4.71 0.00 1.67 1.70 1.05 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.43 0.00 2.13 2.02 0.00 3.39 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.69 0.00 89 L 7.52 4.80 0.00 1.59 1.48 0.90 1.07 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 90 P 0.00 4.11 0.00 1.95 1.72 0.00 3.50 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.15 0.00 91 Y 8.75 4.13 0.00 2.97 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.15 4.01 0.00 2.08 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 2.31 2.46 0.00 93 Q 7.95 4.18 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 94 L 7.59 4.06 0.00 1.74 1.67 1.09 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.40 4.06 0.00 1.71 1.76 0.00 1.45 0.00 0.00 1.23 0.00 0.00 3.07 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.99 1.28 7.81 96 H 7.55 4.86 0.00 3.22 3.25 0.00 5.59 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *124 C 8.10 3.96 0.00 2.89 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Q 7.46 4.49 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 126 Q 8.13 3.85 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 127 A 7.61 4.07 1.06 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 0.00 128 L 7.52 4.18 0.00 1.98 1.84 0.77 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.93 4.03 1.38 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 0.00 0.00 0.00 130 E 8.24 3.97 0.00 2.20 2.37 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 2.58 2.72 0.00 131 L 8.17 3.91 0.00 1.89 1.90 0.55 0.39 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 0.00 132 E 8.60 4.03 0.00 2.26 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 2.46 2.62 0.00 133 S 8.15 3.84 0.00 3.92 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 142 F 8.91 4.11 0.00 3.06 3.06 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 0.00 143 A 8.18 4.24 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 0.00 144 R 7.51 4.23 0.00 1.69 1.79 0.00 3.38 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 145 T 6.28 4.48 3.90 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 0.13 0.00 0.00 146 L 8.51 4.02 0.00 2.10 1.80 1.07 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 147 V 8.12 4.30 1.55 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 0.95 0.00 0.00 -0.03 0.00 0.00 148 P 0.00 3.75 0.00 0.94 0.49 0.00 3.53 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.92 0.00 149 R 7.37 5.13 0.00 1.56 1.96 0.00 3.01 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.34 0.00 150 V 8.97 4.98 2.27 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0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 204 Q 7.82 4.04 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 205 A 8.41 4.13 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 0.00 206 P 0.00 4.69 0.00 2.21 2.08 0.00 3.85 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 2.06 1.95 0.00 207 P 0.00 4.54 0.00 2.21 2.10 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 208 L 8.25 4.13 0.00 1.56 1.68 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 *210 G 8.42 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 0.00 211 T 9.18 5.20 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 212 V 9.19 4.49 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 0.97 0.00 0.00 0.96 0.00 0.00 213 V 8.64 5.15 2.35 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 1.42 0.00 0.00 1.08 0.00 0.00 *215 A 8.21 4.74 1.04 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 0.00 216 Q 8.48 4.71 0.00 1.53 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.59 0.00 0.00 0.00 0.00 0.00 1.25 1.16 0.00 217 G 8.82 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 0.00 218 H 8.60 3.72 0.00 2.69 2.94 0.00 5.62 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 R 8.16 3.91 0.00 1.89 1.97 0.00 3.05 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 220 N 8.05 4.87 0.00 2.89 2.88 0.00 0.00 6.91 7.66 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 0.00 221 C 8.10 3.97 0.00 3.09 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 G 7.69 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 E 8.04 4.07 0.00 1.84 1.70 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 2.36 2.78 0.00 224 D 8.94 5.04 0.00 2.88 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 0.00 225 W 8.58 4.56 0.00 3.19 3.38 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 0.00 226 F 9.34 4.07 0.00 2.81 2.96 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 0.00 227 R 8.91 4.79 0.00 1.67 1.79 0.00 2.96 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 228 P 0.00 4.12 0.00 1.76 1.49 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.16 0.00 229 K 8.66 4.62 0.00 1.61 1.76 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.44 7.81 230 L 8.27 4.08 0.00 1.63 1.74 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 231 N 7.94 4.95 0.00 2.69 2.80 0.00 0.00 6.87 7.46 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 0.00 232 Y 8.01 4.10 0.00 2.97 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 0.00 233 R 6.75 4.34 0.00 1.44 1.56 0.00 3.20 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 234 V 8.22 3.17 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 0.69 0.00 0.00 1.01 0.00 0.00 235 P 0.00 4.17 0.00 1.65 1.84 0.00 2.77 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.96 0.00 236 S 8.52 4.73 0.00 3.96 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 237 R 7.64 4.64 0.00 1.90 1.91 0.00 3.06 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 238 G 8.77 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 239 H 7.65 2.98 0.00 2.55 2.93 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 240 K 7.49 4.13 0.00 0.79 1.42 0.00 1.82 0.00 0.00 1.44 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.08 1.03 7.81 241 L 6.55 4.56 0.00 1.60 1.52 0.77 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 242 T 8.58 5.12 4.30 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 1.28 0.00 0.00 243 V 8.88 4.41 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.94 0.00 0.00 244 T 8.94 4.90 4.22 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 1.21 0.00 0.00 245 L 8.65 5.01 0.00 1.63 1.68 1.07 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 246 S 8.58 4.91 0.00 3.89 3.94 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 0.00 0.00 0.00 0.00 247 C 8.23 5.20 0.00 3.29 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 0.00 248 G 8.33 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 249 R 7.87 4.43 0.00 1.95 1.97 0.00 3.08 0.00 0.00 3.47 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 250 P 0.00 4.41 0.00 2.20 2.17 0.00 3.72 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 1.95 1.95 0.00 251 S 7.74 4.53 0.00 3.94 3.90 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 0.00 252 I 7.90 4.49 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.89 0.78 0.00 0.00 253 R 8.31 3.94 0.00 1.76 1.81 0.00 3.02 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 254 T 8.56 3.96 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 1.21 0.00 0.00 255 T 7.57 4.60 4.41 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 1.21 0.00 0.00 256 A 7.75 3.70 0.67 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 0.00 257 W 7.69 4.76 0.00 3.34 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 0.00 258 E 7.83 4.01 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 259 D 8.31 4.85 0.00 2.62 2.43 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 0.00 260 Y 7.90 5.01 0.00 3.18 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 0.00 261 I 8.57 4.71 1.74 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.51 0.86 0.00 0.00 262 W 8.62 4.65 0.00 3.54 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 0.00 263 F 9.53 5.43 0.00 2.62 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 0.00 264 Q 9.07 4.75 0.00 1.97 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.93 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 265 A 9.06 3.48 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 0.00 266 P 0.00 4.15 0.00 1.77 1.65 0.00 2.20 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.49 0.00 267 V 6.85 4.49 2.32 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 0.84 0.00 0.00 1.30 0.00 0.00 268 T 8.32 4.72 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 1.24 0.00 0.00 269 F 9.17 4.66 0.00 3.21 3.05 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 0.00 270 K 7.70 4.44 0.00 1.44 1.56 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.30 7.81 271 G 8.89 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 0.00 0.00 0.00 0.00 272 F 8.76 4.63 0.00 3.10 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 * Residues marked with a * may have inaccurate shift predictions.