NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 57 K 4.2628 8.4145 122.1426 54.6329 32.3798 175.5550 58 Q 4.5139 8.2126 123.2986 51.3632 30.1139 170.4644 59 P 4.6765 0.0000 0.0000 63.4104 33.7943 175.6308 60 I 4.6351 8.4605 122.2637 59.8842 39.5694 175.2621 61 G 4.7838 9.3185 114.2090 42.3447 0.0000 171.8822 62 P 3.5880 0.0000 0.0000 65.4789 30.9632 178.7619 63 E 3.9164 8.0093 115.3013 59.3300 29.0903 178.3353 64 D 4.4587 7.9905 118.4778 55.8756 41.3567 177.6818 65 V 4.1823 7.5873 111.5098 61.2839 33.2720 177.3811 66 L 4.1253 8.0419 117.2686 56.4900 41.5896 177.6638 67 G 4.0808 7.7416 105.4958 44.7577 0.0000 173.3183 68 L 4.1494 7.8364 120.2406 55.1103 41.9529 177.1072 69 Q 4.8587 8.6829 119.8123 55.7869 29.7536 175.4699 70 R 4.1896 7.3575 115.6097 53.8675 34.2380 174.6747 71 I 3.5480 7.2404 120.5828 60.8648 38.5977 176.0566 72 T 4.1264 8.9383 117.5083 61.5448 69.2047 175.0402 73 G 3.6825 8.4758 111.0371 46.9930 0.0000 172.4442 74 D 4.3661 7.2489 117.1180 53.2472 44.0067 174.1250 75 Y 4.1112 8.2944 119.8202 58.0527 38.2236 176.6472 76 L 4.4544 9.1713 122.7461 56.1204 42.3710 176.1794 77 C 4.8797 7.8362 112.0831 56.8737 32.6841 173.2393 78 S 4.6929 9.5976 116.0981 56.1029 64.7048 173.5892 79 P 4.2332 0.0000 0.0000 65.7116 31.1205 178.7754 80 E 4.1078 7.5154 116.1376 58.5769 29.3835 177.7090 81 E 4.1230 7.9111 117.2679 57.7718 30.4852 177.0468 82 N 4.7786 7.8848 120.8218 52.4705 37.2725 175.5390 83 I 3.7800 7.2898 112.0427 62.8145 38.7636 177.0798 84 Y 4.2399 7.7973 118.1549 57.1764 38.3179 175.1765 85 K 3.9746 7.5107 118.1288 57.2594 30.2871 175.6001 86 I 4.0220 7.0021 118.8539 60.9714 38.0113 175.7984 87 D 4.5805 8.5141 124.4476 52.5803 44.2889 174.1056 88 F 4.8666 8.9785 125.5671 57.6048 39.5175 175.9209 89 V 4.5328 9.3517 115.8875 61.2314 33.9424 175.3121 90 R 5.2183 7.9622 120.5239 55.2083 33.8054 173.2606 91 F 5.6283 9.3691 127.8456 56.7544 43.2104 173.0172 92 K 4.8520 9.0343 127.0113 54.5899 35.9713 174.5664 93 I 4.8398 8.4784 120.3631 58.9571 40.5041 174.1855 94 R 4.8905 8.6592 125.9722 54.6614 33.1150 175.3170 95 D 4.6263 8.5777 126.1784 53.8288 43.6928 175.9026 *97 D 4.6561 8.7543 116.1061 54.0878 42.5918 175.9926 98 S 4.4491 7.2591 108.8197 56.4434 64.4135 175.3952 99 G 3.8896 8.6491 108.8092 45.6595 0.0000 173.7361 100 T 3.9957 7.5976 117.9743 63.3594 69.6558 174.0650 101 V 4.1877 8.3401 126.6607 62.2734 31.0435 175.5721 102 L 4.3463 8.7966 129.9108 57.7055 42.3200 177.5215 103 F 4.9085 8.0108 117.6750 57.6606 42.7321 172.4706 104 E 4.8323 7.2272 123.2478 55.1104 32.7458 174.0939 105 I 4.5175 8.7948 128.8700 60.1361 41.7150 174.2089 106 K 5.0261 8.7611 132.1019 53.5186 34.4108 173.3927 107 K 4.6179 9.0218 125.2606 53.5608 31.4552 173.7330 108 P 4.5809 0.0000 0.0000 60.9152 32.6453 175.3304 109 P 4.3145 0.0000 0.0000 64.9117 31.1773 177.2044 110 V 4.3219 7.4161 116.3905 60.3243 33.3756 174.9274 111 S 4.1447 8.8342 124.1217 59.5921 62.5901 174.4477 112 E 4.2765 8.8106 123.7859 57.6369 30.6012 176.1983 113 R 4.8247 7.7350 114.3801 55.7276 30.1192 181.3468 114 L 4.2576 7.5841 120.2245 53.9185 42.8936 176.1398 115 P 4.4223 0.0000 0.0000 62.9233 32.1136 176.4016 116 I 3.9065 8.3625 123.5881 64.1323 37.7325 176.1820 117 N 4.6985 7.9780 117.1313 51.5686 39.7389 174.6331 118 R 3.9278 8.3414 120.3616 58.4987 30.1860 176.8698 119 R 4.0442 8.8571 122.4223 56.3881 27.6219 176.1753 120 D 4.5132 8.0259 118.1965 53.8204 41.3715 175.8772 121 L 4.1233 8.2152 123.5901 54.8633 42.7317 175.7489 122 D 4.7033 8.4097 124.4173 51.8210 43.3772 173.0779 123 P 4.3539 0.0000 0.0000 61.7096 31.5202 176.7493 *126 G 3.9199 8.1354 115.1178 45.9238 0.0000 171.8154 127 R 4.6871 7.6073 114.6465 55.7426 32.5021 176.9968 128 F 5.4117 8.1455 121.5401 56.2687 42.1121 174.2824 129 V 3.8968 7.4301 124.6807 60.7084 34.9418 173.7180 130 R 4.6125 7.6609 126.6606 53.8588 31.8524 174.4165 131 Y 4.0494 8.0693 123.7903 56.0608 40.7016 174.9392 132 Q 4.5914 8.1692 122.3477 54.4308 30.4407 174.5232 133 F 5.3989 8.8557 124.2200 55.9442 42.8372 174.5288 134 T 4.9814 8.5171 108.7842 59.5469 71.5271 173.7517 135 P 4.3406 0.0000 0.0000 65.8305 31.2094 178.7593 136 A 4.1191 7.7944 119.0656 54.6931 18.2851 179.3043 137 F 3.9400 8.4680 119.7888 61.3507 39.2552 176.7411 138 L 4.2408 7.8454 116.0180 56.0351 41.4685 177.6513 139 R 4.5346 7.3795 116.7434 55.5538 30.8439 176.2886 140 L 4.0268 7.4937 118.1721 54.9806 42.4788 176.8242 141 R 4.2908 8.3372 121.7162 58.1486 31.4249 175.7260 142 Q 4.7347 7.4083 117.2234 54.3817 32.4371 173.5302 143 V 4.3485 8.4073 125.1807 60.8870 35.2295 174.0867 144 G 4.4224 8.9032 114.5358 44.5124 0.0000 171.9027 145 A 5.2236 9.2481 128.0968 50.5664 21.7778 175.4299 146 T 5.0234 9.1969 119.0638 61.8302 71.3801 173.8306 147 V 5.3229 9.1720 119.6184 59.6945 35.7891 174.4360 148 E 5.4540 9.6589 124.1343 54.7010 32.6285 175.0784 149 F 5.3996 8.9616 118.2604 55.7232 41.8950 173.3895 150 T 4.9206 8.7943 110.6775 60.3069 71.5829 173.4765 151 V 4.5432 8.0832 121.3228 61.2647 35.5919 176.1626 152 G 4.0833 8.3541 112.7498 45.9880 0.0000 173.8437 153 D 4.5371 8.6821 118.1525 56.3513 41.2482 177.3546 154 K 4.2236 7.8504 118.4414 55.1809 32.6948 175.0880 155 P 4.2977 0.0000 0.0000 62.6261 31.8801 175.7853 156 V 3.9161 8.0763 121.6701 60.8181 33.0365 174.2057 157 N 4.9014 8.1179 125.0396 52.7244 41.7371 173.1292 158 N 4.2705 8.8382 121.4739 54.6571 37.2834 173.9876 159 F 5.0377 8.0202 120.8789 58.6145 41.3889 174.8419 160 R 5.1585 9.0197 125.2237 55.0970 34.1612 172.6895 *162 I 4.3730 8.2509 118.5824 61.5033 38.9478 174.3891 163 E 5.1149 9.2667 129.3033 54.3954 32.0159 174.6504 164 R 5.0365 9.1993 126.3776 54.6967 33.3332 174.4327 165 H 5.3895 8.8158 120.7363 54.3107 31.6593 173.0974 166 Y 5.2825 9.3275 119.3629 56.2878 42.9077 173.9441 167 F 5.2115 9.2473 125.0511 56.2182 41.5257 175.7851 168 R 3.3350 8.4058 127.3172 57.9466 29.2581 176.8379 169 N 4.8114 8.8543 122.3778 53.8742 38.6496 173.6728 170 Q 4.6772 8.0822 118.8517 53.5800 30.5157 175.1025 171 L 4.1495 8.7359 125.5479 55.4525 42.7869 175.8149 172 L 4.3895 8.6552 126.7991 55.9452 42.5136 176.7345 173 K 4.1601 7.1494 116.8247 55.4011 35.4455 173.1866 174 S 4.9667 8.1460 119.5137 56.3559 65.1753 172.8227 175 F 4.4922 9.2462 125.3309 55.4583 41.7443 173.8874 176 D 4.8588 8.1387 122.6565 52.5842 42.7632 174.6288 177 F 5.0392 8.2711 124.4875 55.8616 42.4475 174.2679 178 H 4.9795 8.6953 119.2253 53.9140 30.3827 174.3465 179 F 4.2785 9.1312 123.0511 57.4293 39.6682 177.4547 180 G 4.1246 8.6500 108.4947 45.9216 0.0000 172.4895 181 F 4.3964 9.1058 122.6040 58.4900 39.9374 175.1608 182 C 4.6188 7.5272 125.3476 57.8159 28.9379 173.5294 183 I 3.8939 8.4532 127.3520 60.0000 37.1258 174.8166 184 P 4.3740 0.0000 0.0000 63.5632 31.8395 175.6519 185 S 3.7180 9.3524 114.0358 57.7382 61.2070 171.9886 186 S 4.5149 7.3248 111.8073 57.3002 66.3665 172.8971 187 K 4.4600 8.4031 121.4832 56.1045 32.7397 175.5005 188 N 4.9929 8.9813 123.9652 51.5937 42.6155 173.4170 189 T 5.2532 8.3085 116.6778 62.1583 72.2146 172.9507 190 C 4.9627 9.4733 124.5482 57.7720 35.8264 171.9803 191 E 5.0357 8.7709 124.8570 54.7395 31.6650 174.4377 192 H 4.6358 9.0299 124.1629 53.8698 31.7787 173.2568 193 I 4.8075 8.0912 122.5321 59.8880 39.2761 174.4914 194 Y 4.5904 9.2868 125.9800 56.6479 39.5770 174.6018 195 D 5.1133 9.0650 125.3029 52.8547 42.1121 176.3859 196 F 5.0762 8.8216 123.9925 56.2456 39.8671 174.2242 197 P 4.4708 0.0000 0.0000 61.2754 32.1166 174.3505 198 P 4.2753 0.0000 0.0000 63.0268 31.5558 175.9086 199 L 4.4365 8.1912 123.1291 53.3294 43.2435 177.2866 200 S 4.3469 8.1802 116.1810 58.2308 65.2052 175.2496 201 E 3.9438 8.6475 122.8096 59.6579 29.3626 179.5762 202 E 3.9466 8.0438 118.1847 59.2329 29.3842 178.9929 203 L 3.7910 7.5726 119.2000 58.0835 42.2409 178.6134 204 I 3.6391 7.4297 118.5198 64.4788 37.3194 178.1719 205 S 4.2970 7.9890 115.7714 61.5067 62.6971 177.4836 206 E 4.0368 7.7943 120.0146 56.6870 29.0961 179.1436 *208 I 4.1828 7.7396 121.5256 61.4890 39.1185 177.4342 209 R 4.0426 7.9000 119.1523 58.4743 30.3173 176.1010 210 H 4.9737 8.1797 115.6045 52.4109 28.7475 170.6967 211 P 4.0439 0.0000 0.0000 64.0503 31.7681 177.5964 212 Y 4.0005 8.5823 117.3864 58.7259 36.5081 169.9972 213 E 4.3367 8.0970 119.2098 57.2062 30.3272 175.5708 214 T 5.2359 8.0328 117.2920 62.5925 70.2719 173.8703 215 Q 5.5728 9.5805 124.8987 54.4896 33.9946 174.1384 216 S 5.3877 9.4766 114.4695 57.0496 67.3024 172.4157 217 D 5.2197 9.1470 120.8085 52.6406 43.9584 175.0348 218 S 4.8881 9.0432 120.1002 56.7809 65.3393 172.9722 219 F 5.1139 8.8754 124.7044 55.8802 40.7191 174.9770 220 Y 5.0717 8.6609 120.6450 56.2786 40.7909 174.6741 221 F 5.5962 9.9865 122.2197 55.7526 43.5258 174.3720 222 V 4.7088 8.5896 120.9396 61.5436 34.4085 175.3647 223 D 4.5931 9.2246 129.2642 55.8343 38.4864 174.1975 224 D 4.5340 8.3679 114.2488 54.7840 39.0597 173.6237 225 R 4.9555 7.9122 119.2003 53.8514 32.2159 174.9526 226 L 4.0892 8.6000 125.1900 55.3124 42.2770 176.8148 227 V 4.3130 8.6435 118.9751 61.6975 33.0388 175.0671 *229 H 4.9421 8.0898 120.2781 56.4817 30.5224 172.0138 230 N 5.4930 9.3002 123.3495 51.5866 41.8666 174.1200 231 K 5.2541 9.3692 120.1192 55.1254 36.5374 174.9134 232 A 5.0538 8.8181 122.0119 51.6548 23.1051 174.8691 233 D 5.4905 7.8603 117.3337 52.1231 43.6308 173.8611 234 Y 4.9464 9.2448 115.9095 56.2934 42.6602 174.3910 235 S 4.4730 8.3799 115.9735 56.1405 65.8468 173.8545 236 Y 5.0070 8.3036 123.1921 58.2112 38.7284 176.3456 237 S 4.4637 7.8958 114.7410 57.6558 63.5798 176.3175 238 G 3.9448 7.8832 112.8889 47.1832 0.0000 174.8888 239 T 3.7087 8.4904 110.5495 61.5314 69.3316 167.9672 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 57 K 8.41 4.26 0.00 1.79 1.73 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 58 Q 8.21 4.51 0.00 2.14 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 7.00 0.00 0.00 0.00 0.00 0.00 2.21 2.01 0.00 59 P 0.00 4.68 0.00 1.97 2.06 0.00 3.63 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 2.05 2.14 0.00 60 I 8.46 4.64 1.95 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 1.30 1.16 0.98 0.00 0.00 61 G 9.32 4.78 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 0.00 0.00 0.00 62 P 0.00 3.59 0.00 1.85 1.65 0.00 3.34 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.71 0.00 63 E 8.01 3.92 0.00 2.10 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 0.00 2.31 2.31 0.00 64 D 7.99 4.46 0.00 2.81 2.73 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 65 V 7.59 4.18 1.48 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 0.26 0.00 0.00 0.95 0.00 0.00 66 L 8.04 4.13 0.00 1.57 1.67 0.84 0.75 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 67 G 7.74 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 68 L 7.84 4.15 0.00 1.87 1.76 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.68 4.86 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.47 2.31 0.00 70 R 7.36 4.19 0.00 1.62 1.57 0.00 3.15 0.00 0.00 3.06 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.55 0.00 71 I 7.24 3.55 1.61 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.70 0.79 0.00 0.00 72 T 8.94 4.13 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 1.51 0.00 0.00 73 G 8.48 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 7.25 4.37 0.00 2.59 2.54 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 75 Y 8.29 4.11 0.00 3.04 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 76 L 9.17 4.45 0.00 1.90 1.85 1.04 0.88 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 77 C 7.84 4.88 0.00 3.39 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 78 S 9.60 4.69 0.00 4.09 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 79 P 0.00 4.23 0.00 2.15 2.08 0.00 3.55 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 2.03 1.98 0.00 80 E 7.52 4.11 0.00 1.77 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 81 E 7.91 4.12 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 2.36 2.25 0.00 82 N 7.88 4.78 0.00 2.87 2.80 0.00 0.00 6.83 7.37 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 83 I 7.29 3.78 1.58 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.36 0.87 0.00 0.00 84 Y 7.80 4.24 0.00 2.90 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 7.51 3.97 0.00 1.84 1.81 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.33 7.81 86 I 7.00 4.02 1.62 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.23 0.28 0.00 0.00 87 D 8.51 4.58 0.00 2.71 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 88 F 8.98 4.87 0.00 3.03 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 9.35 4.53 2.14 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 0.88 0.00 0.00 1.05 0.00 0.00 90 R 7.96 5.22 0.00 1.95 1.85 0.00 3.18 0.00 0.00 3.47 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 91 F 9.37 5.63 0.00 3.26 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 9.03 4.85 0.00 1.71 1.50 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.22 1.28 7.81 93 I 8.48 4.84 1.73 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.76 0.61 0.00 0.00 94 R 8.66 4.89 0.00 1.80 1.69 0.00 3.04 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 95 D 8.58 4.63 0.00 2.67 2.46 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 *97 D 8.75 4.66 0.00 2.77 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 98 S 7.26 4.45 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 99 G 8.65 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 0.00 100 T 7.60 4.00 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 1.22 0.00 0.00 101 V 8.34 4.19 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 0.78 0.00 0.00 0.90 0.00 0.00 102 L 8.80 4.35 0.00 1.63 1.84 0.67 0.63 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 0.00 103 F 8.01 4.91 0.00 3.53 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 0.00 104 E 7.23 4.83 0.00 1.80 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 0.00 2.07 2.18 0.00 105 I 8.79 4.52 1.79 0.00 0.00 1.00 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 1.21 1.25 0.00 0.00 106 K 8.76 5.03 0.00 1.56 1.54 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.60 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.26 0.97 7.81 107 K 9.02 4.62 0.00 1.77 1.90 0.00 2.03 0.00 0.00 1.80 0.00 0.00 3.30 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.39 7.81 108 P 0.00 4.58 0.00 2.22 2.09 0.00 3.89 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 2.21 2.00 0.00 109 P 0.00 4.31 0.00 2.06 2.18 0.00 3.63 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 110 V 7.42 4.32 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 0.80 0.00 0.00 0.93 0.00 0.00 111 S 8.83 4.14 0.00 3.87 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 0.00 112 E 8.81 4.28 0.00 2.03 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 2.20 1.87 0.00 113 R 7.74 4.82 0.00 1.77 1.72 0.00 3.24 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.43 0.00 114 L 7.58 4.26 0.00 1.63 1.63 0.92 1.12 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 0.00 115 P 0.00 4.42 0.00 2.17 2.18 0.00 3.75 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 116 I 8.36 3.91 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.81 0.91 0.00 0.00 117 N 7.98 4.70 0.00 3.18 2.71 0.00 0.00 6.60 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 0.00 118 R 8.34 3.93 0.00 1.76 1.86 0.00 3.29 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 119 R 8.86 4.04 0.00 2.02 2.09 0.00 3.26 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 120 D 8.03 4.51 0.00 2.74 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 0.00 121 L 8.22 4.12 0.00 1.56 1.55 0.91 1.08 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 0.00 122 D 8.41 4.70 0.00 2.59 2.48 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 0.00 123 P 0.00 4.35 0.00 2.19 1.96 0.00 3.67 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 2.07 2.06 0.00 *126 G 8.14 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 0.00 127 R 7.61 4.69 0.00 1.41 1.81 0.00 3.03 0.00 0.00 3.08 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.37 0.00 128 F 8.15 5.41 0.00 3.10 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 0.00 129 V 7.43 3.90 1.49 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 -0.22 0.00 0.00 0.70 0.00 0.00 130 R 7.66 4.61 0.00 1.65 1.51 0.00 2.81 0.00 0.00 3.38 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.50 0.00 131 Y 8.07 4.05 0.00 1.98 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 0.00 132 Q 8.17 4.59 0.00 1.84 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.77 0.00 0.00 0.00 0.00 0.00 2.14 2.27 0.00 133 F 8.86 5.40 0.00 2.71 2.73 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 0.00 134 T 8.52 4.98 4.36 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 1.35 0.00 0.00 135 P 0.00 4.34 0.00 2.23 2.20 0.00 3.69 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.46 0.00 136 A 7.79 4.12 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.47 3.94 0.00 3.26 3.33 0.00 0.00 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5.11 0.00 2.06 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 2.42 2.33 0.00 164 R 9.20 5.04 0.00 1.94 1.54 0.00 3.42 0.00 0.00 3.56 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 165 H 8.82 5.39 0.00 2.95 3.12 0.00 5.56 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 Y 9.33 5.28 0.00 2.83 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 0.00 167 F 9.25 5.21 0.00 3.16 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 0.00 168 R 8.41 3.33 0.00 1.56 0.87 0.00 2.80 0.00 0.00 2.90 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.50 0.00 169 N 8.85 4.81 0.00 2.67 2.78 0.00 0.00 6.62 7.69 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 0.00 170 Q 8.08 4.68 0.00 2.37 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 171 L 8.74 4.15 0.00 1.67 1.59 0.32 0.95 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 G 8.65 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 0.00 0.00 0.00 181 F 9.11 4.40 0.00 3.06 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 0.00 182 C 7.53 4.62 0.00 2.74 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 0.00 183 I 8.45 3.89 1.85 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.61 0.97 0.00 0.00 184 P 0.00 4.37 0.00 2.05 2.11 0.00 3.88 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 185 S 9.35 3.72 0.00 3.96 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 0.00 186 S 7.32 4.51 0.00 3.80 3.91 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 0.00 187 K 8.40 4.46 0.00 1.72 1.66 0.00 1.68 0.00 0.00 1.91 0.00 0.00 2.71 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.39 7.81 188 N 8.98 4.99 0.00 1.44 2.01 0.00 0.00 6.59 5.12 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 0.00 189 T 8.31 5.25 4.27 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 1.27 0.00 0.00 190 C 9.47 4.96 0.00 3.46 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 0.00 191 E 8.77 5.04 0.00 1.96 1.75 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 2.11 2.40 0.00 192 H 9.03 4.64 0.00 2.53 1.31 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 I 8.09 4.81 1.90 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 1.32 0.84 0.92 0.00 0.00 194 Y 9.29 4.59 0.00 2.76 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 0.00 195 D 9.06 5.11 0.00 2.71 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 F 8.82 5.08 0.00 2.95 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 0.00 197 P 0.00 4.47 0.00 2.15 2.02 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 198 P 0.00 4.28 0.00 2.19 2.12 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 199 L 8.19 4.44 0.00 1.57 1.53 0.74 0.85 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 0.00 200 S 8.18 4.35 0.00 4.16 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 0.00 201 E 8.65 3.94 0.00 1.98 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 2.38 2.33 0.00 202 E 8.04 3.95 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 203 L 7.57 3.79 0.00 1.57 1.75 0.66 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 204 I 7.43 3.64 1.92 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 1.38 0.67 0.83 0.00 0.00 205 S 7.99 4.30 0.00 4.00 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 0.00 206 E 7.79 4.04 0.00 1.87 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 0.00 2.55 2.59 0.00 *208 I 7.74 4.18 2.00 0.00 0.00 0.85 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 0.55 0.94 0.00 0.00 209 R 7.90 4.04 0.00 1.91 2.01 0.00 3.18 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 210 H 8.18 4.97 0.00 3.65 3.52 0.00 5.68 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 P 0.00 4.04 0.00 1.03 1.70 0.00 3.94 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 212 Y 8.58 4.00 0.00 3.24 3.35 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 0.00 213 E 8.10 4.34 0.00 2.27 1.74 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 2.31 2.37 0.00 214 T 8.03 5.24 4.65 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 1.41 0.00 0.00 215 Q 9.58 5.57 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.71 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 216 S 9.48 5.39 0.00 3.80 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 0.00 217 D 9.15 5.22 0.00 2.61 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 0.00 218 S 9.04 4.89 0.00 3.76 3.57 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 0.00 219 F 8.88 5.11 0.00 2.98 2.67 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 0.00 220 Y 8.66 5.07 0.00 3.05 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 0.00 221 F 9.99 5.60 0.00 3.05 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 0.00 222 V 8.59 4.71 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.65 0.00 0.00 223 D 9.22 4.59 0.00 2.89 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 0.00 224 D 8.37 4.53 0.00 2.93 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 R 7.91 4.96 0.00 2.17 1.95 0.00 3.24 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 226 L 8.60 4.09 0.00 1.73 1.62 0.59 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 227 V 8.64 4.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.06 0.00 0.00 *229 H 8.09 4.94 0.00 3.41 3.51 0.00 5.70 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 230 N 9.30 5.49 0.00 2.84 2.75 0.00 0.00 6.37 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 K 9.37 5.25 0.00 1.82 1.82 0.00 0.68 0.00 0.00 1.40 0.00 0.00 2.35 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.43 1.09 7.81 232 A 8.82 5.05 1.07 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 0.00 233 D 7.86 5.49 0.00 3.24 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 0.00 234 Y 9.24 4.95 0.00 2.75 2.27 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 0.00 235 S 8.38 4.47 0.00 2.90 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 0.00 236 Y 8.30 5.01 0.00 3.01 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 0.00 237 S 7.90 4.46 0.00 3.77 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 0.00 238 G 7.88 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 0.00 239 T 8.49 3.71 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.