NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 R 4.2674 8.2549 121.1200 56.6691 31.9316 175.7972 21 I 4.1413 7.5923 117.0368 60.2999 38.9331 173.6355 22 K 4.5040 8.2825 125.2964 53.6720 35.9196 170.9852 23 K 4.5451 8.4732 124.9332 54.2024 34.5040 174.5894 24 I 5.7262 8.2527 127.0540 58.7870 41.8350 174.5939 25 S 5.4426 8.9823 120.3962 56.8816 66.1984 172.8244 26 I 4.9699 8.5520 122.8194 60.3504 38.5601 174.5605 27 E 5.1675 10.7800 126.8636 53.9910 33.3230 175.8555 28 G 4.6288 8.7510 108.6374 44.2323 0.0000 172.2585 29 N 4.5288 8.0754 117.4725 52.7989 38.3857 175.5821 30 I 3.8247 8.4129 120.8089 62.8674 38.4058 176.0948 31 A 3.8476 8.6022 124.8298 53.2825 16.0629 178.2276 32 A 4.3235 8.4909 120.7507 53.8373 20.4415 177.7962 33 G 3.6365 8.8925 105.3136 45.3032 0.0000 175.6100 34 K 4.1013 8.0923 120.7148 60.1311 32.7739 178.3965 35 S 4.1454 8.3731 112.3882 62.1027 62.5030 176.4505 36 T 4.6530 8.0067 113.0825 63.9858 68.1963 175.4066 37 F 5.1758 8.3736 128.4159 60.3603 40.7156 178.3353 38 V 3.4240 8.1136 118.5360 65.5670 31.4312 180.3670 39 N 4.7444 8.8063 117.6615 57.3420 38.1426 177.8081 40 I 3.9363 7.5062 121.0933 64.8279 35.5364 180.3127 41 L 3.9849 7.3719 121.1246 57.3902 41.1976 180.1720 42 K 4.5574 7.4144 125.4640 59.3476 31.7009 184.5366 43 Q 4.2806 7.9504 116.8415 57.6776 29.1938 177.5581 44 L 4.0028 7.1340 118.7932 57.0355 41.8850 177.8052 45 S 4.3774 7.3770 113.4488 57.5488 65.3456 175.4346 46 E 4.2413 8.8236 118.9281 57.7105 29.5808 174.3170 47 D 4.8576 8.0038 117.7215 55.1113 42.3918 176.0565 48 W 5.6555 8.3714 120.5600 53.9578 29.2108 174.6159 49 E 4.5280 8.3725 126.8530 56.5544 31.1428 175.9039 50 V 4.9689 8.1660 121.0151 59.7828 36.1834 176.3544 51 V 4.2677 8.4185 122.8190 60.5310 32.3142 173.5351 52 P 4.6241 0.0000 0.0000 61.9949 32.3611 175.7735 53 E 4.2121 8.5796 121.6072 55.0018 30.3161 174.3703 54 P 4.1177 0.0000 0.0000 66.0479 31.5050 177.8735 55 V 3.4580 6.7567 120.1162 60.6265 29.6705 173.4314 56 A 4.4829 7.7092 126.1005 53.8440 21.1633 178.3795 57 R 4.6642 7.9001 110.6817 55.9935 30.2685 179.9622 58 W 4.5093 8.4970 121.3124 60.9620 29.2544 178.4668 59 S 4.6908 7.9153 110.9703 58.8890 62.3280 175.6344 *74 S 4.4999 7.7130 119.4015 60.7621 65.1948 176.7634 75 Q 3.7248 7.7234 118.5281 56.7495 27.8992 179.6988 76 K 3.6096 7.0690 117.3845 60.9098 32.3846 176.3762 77 N 4.4283 7.6197 123.4267 51.4760 37.0584 175.5586 78 G 2.7031 7.2744 122.6726 46.0645 0.0000 172.9501 79 G 3.7702 7.8734 111.7320 48.5418 0.0000 175.9978 80 N 4.3450 7.3889 122.7856 57.9060 37.7806 180.5061 81 V 3.6498 7.1158 121.5282 65.0820 32.1500 178.0309 82 L 4.8858 7.5361 121.9152 56.8061 41.4548 178.2508 *84 M 4.2859 8.0603 116.9797 53.9654 34.3139 178.9327 85 M 4.2363 7.6956 120.4010 59.0269 32.8430 177.7987 86 Y 4.0801 8.5717 118.1807 59.2909 39.2506 176.5224 87 E 4.6531 8.1577 117.7956 57.0363 30.3004 176.3611 88 K 4.3962 8.4054 120.1541 54.7022 33.7058 173.9313 89 P 4.5147 0.0000 0.0000 65.5989 31.2454 178.9865 90 E 4.3479 8.1560 115.1754 57.8027 29.4209 177.5150 91 R 3.9936 7.4180 116.1647 56.5815 30.3775 176.3727 92 W 5.4445 7.7073 113.7960 56.8554 31.6999 176.9448 93 S 4.3661 8.5313 115.5924 61.8579 62.7697 176.6219 94 F 4.2390 8.6410 121.4167 61.5670 39.3637 175.5987 95 T 4.2615 7.8064 116.4925 65.1429 69.2776 174.8428 *96 F 4.4782 9.1784 126.3984 58.6181 36.7535 178.4466 97 Q 4.2442 7.6823 120.1764 59.3112 28.5045 179.4001 98 T 4.1036 8.0478 116.6805 66.7565 67.9387 175.9527 99 Y 4.1314 8.0763 120.9158 60.3977 39.2607 176.8942 100 A 3.8305 9.1442 122.1277 55.3240 18.3153 179.3680 101 C 3.9954 7.9799 119.2256 63.2860 31.6685 176.4644 102 L 3.9724 7.7214 123.4611 59.4186 40.2838 180.7757 103 S 4.1407 8.6606 115.9548 61.5626 62.7661 176.7557 104 R 3.9479 7.7192 120.6512 59.4791 30.0080 178.2792 105 I 3.6597 7.4723 119.4435 64.7763 37.0187 178.5485 106 R 3.9279 8.3134 118.6492 59.3058 29.4506 179.0627 107 A 4.0473 7.8225 120.1302 55.0112 18.3850 179.4941 108 Q 4.2192 8.1041 115.9082 58.1315 28.7229 177.7279 109 L 4.5601 7.7137 118.9670 55.1650 42.1231 177.5299 110 A 4.5362 7.3399 119.7126 52.6320 18.4379 177.2267 111 S 4.4726 7.6840 110.4020 60.7478 64.9826 175.2156 112 L 3.8672 7.3777 121.2605 58.2499 41.8445 177.0516 113 N 4.9572 9.0419 115.6042 49.8902 39.4066 177.0204 114 G 5.1548 7.8027 124.4619 45.4545 0.0000 172.4840 115 K 4.4854 7.0503 122.0378 55.9462 32.6031 178.6348 116 L 3.8510 8.6597 131.5123 56.6808 40.3920 177.1159 117 K 4.6298 8.5333 126.6908 54.7902 33.3000 172.9492 118 D 4.8959 8.1936 115.1837 53.2814 41.8187 178.4115 119 A 4.6112 7.7668 121.6890 51.6856 20.2567 177.0109 120 E 4.0871 9.0406 125.4417 59.9075 29.5426 179.7323 121 K 4.7277 7.4359 123.3759 53.4149 33.5302 175.3586 122 P 4.7721 0.0000 0.0000 62.2726 33.3006 175.6070 123 V 4.2928 8.5733 119.4378 61.2080 34.6919 174.1734 124 L 5.3080 7.3545 124.4987 52.9247 46.4453 175.1060 125 F 5.4832 8.4152 119.7217 55.2714 42.2174 175.6699 126 F 4.7028 8.9800 116.9486 56.5784 41.7377 174.8942 127 E 3.5268 9.7218 114.0226 57.4646 26.9394 175.1823 128 R 4.4954 9.6195 124.8234 55.3117 29.9085 174.4115 129 S 4.4407 8.2086 110.1567 57.4306 65.4021 175.0607 130 V 3.9298 7.7061 113.1658 63.5440 31.1165 177.9438 131 Y 3.9359 7.4252 116.9304 60.5212 37.9116 177.4908 132 S 4.1323 8.2753 114.8277 62.4120 62.8088 175.5466 133 D 4.5818 8.0649 122.1397 56.9003 40.5630 178.5187 134 R 4.2128 8.8296 118.8937 59.6588 30.2442 177.9256 135 Y 5.2449 8.2606 114.2665 57.3372 38.9068 176.5476 136 I 4.1984 7.5653 119.9818 62.2581 39.2963 177.2199 137 F 4.3527 8.2043 117.6349 59.9740 39.2806 178.2332 138 A 3.8985 9.0841 121.5268 55.0415 17.6000 179.4781 139 S 3.4376 8.0025 113.4955 61.8653 62.9246 176.4401 140 N 4.1883 7.5756 118.5051 56.8841 38.6358 176.8052 141 L 3.9688 7.9776 120.3174 57.8256 41.7299 178.9870 142 Y 3.9302 7.7986 119.7519 60.6308 38.4913 177.5032 143 E 3.5815 8.5445 118.5040 58.3014 29.5058 178.3470 144 S 4.2630 7.9880 112.6915 57.9179 63.2977 173.4461 145 E 3.7895 7.8680 118.9924 57.3022 26.4191 175.2268 146 S 4.5337 8.6315 113.4780 58.6417 63.8829 174.1873 147 M 5.0113 7.6455 119.9089 52.5686 33.7388 175.3961 148 N 4.6826 8.6269 122.1613 52.4385 39.3997 175.3712 149 E 4.1595 8.9395 120.0516 60.2123 29.3469 179.9377 150 T 3.9595 7.8564 110.2433 64.2107 68.8145 176.1482 151 E 3.9758 8.1555 120.9044 59.0635 29.5323 178.9814 152 W 4.7566 8.6642 128.4457 60.6777 30.0983 178.2337 153 T 3.7063 8.5407 116.2989 66.5364 68.0602 176.5380 154 I 3.8232 8.7235 122.7615 64.7937 36.9905 177.4731 155 Y 4.4444 8.5586 118.9754 61.1818 39.0376 178.0972 156 Q 3.7639 7.7317 118.6557 59.5908 28.8658 177.5741 157 D 4.1733 8.2887 117.0210 58.4956 40.7077 177.7597 158 W 4.4817 8.4374 114.9909 58.0042 28.5859 177.7018 159 H 3.4623 7.5163 120.3140 59.3216 28.5729 176.4970 160 D 4.4036 8.0512 123.0779 57.2483 40.3705 178.7740 *161 W 4.5660 7.2306 120.0396 58.6759 29.3186 178.6127 162 M 4.6822 7.8254 118.6525 58.3764 32.7858 177.8508 163 N 4.5820 8.0238 114.7953 55.3456 39.1370 176.4451 164 N 4.5793 7.5363 114.7971 55.9897 39.2183 176.2773 165 Q 4.3751 8.1089 119.9276 56.1956 29.4622 175.9328 *166 F 4.5315 8.2241 118.5044 56.4490 43.0970 182.3586 *171 E 4.2073 9.1944 125.5747 57.0984 29.4745 173.8380 172 L 4.6366 9.1061 127.9789 53.6610 42.3144 176.3505 173 D 4.9988 8.9141 123.0854 51.9934 41.6943 175.7054 174 G 4.7486 7.0035 112.5482 45.7528 0.0000 172.0913 175 I 5.3088 7.9695 124.8523 59.3918 41.5525 174.4883 176 I 4.9801 8.7769 125.9615 59.7595 40.9772 173.8213 177 Y 5.2344 9.4672 130.1554 55.7401 40.0677 174.5144 178 L 4.1264 8.8878 128.5485 54.5741 42.5915 175.9710 179 Q 4.2147 8.1253 126.1292 54.0597 30.6826 174.2856 180 A 5.1997 8.5637 126.7641 49.0681 23.0951 175.3978 181 T 4.1622 8.8183 109.5488 60.5539 69.8921 174.4834 182 P 4.4065 0.0000 0.0000 65.1546 31.8057 178.5960 183 E 3.9973 8.1569 118.6622 59.5063 29.3616 178.4796 184 T 4.3362 7.8977 105.5625 62.8414 68.9103 174.6393 185 C 5.1801 7.6865 120.8076 61.2839 29.5518 175.8373 186 L 4.0943 7.8933 121.8461 58.4152 41.7017 178.3950 187 H 4.2376 8.7382 118.4162 58.7819 29.5267 176.7445 188 R 4.3943 7.8299 117.5788 57.3480 30.6074 178.1595 189 I 3.9213 7.9956 120.0743 64.2632 37.1393 177.2701 190 Y 4.2675 8.2337 119.9174 60.1740 40.0931 177.5371 191 L 3.8992 7.4638 121.0177 54.0139 39.1398 175.3111 192 R 4.1225 7.2211 121.8319 56.7029 34.3282 174.3446 193 G 3.8815 8.7670 108.6908 44.2272 0.0000 173.1946 194 R 4.1251 8.2177 124.9949 55.6683 31.2684 174.0630 195 N 4.6693 8.5951 123.1452 54.8311 36.4047 173.3664 196 E 5.5516 8.0573 131.7783 56.9354 27.6379 177.9459 197 E 3.7980 7.6808 119.3873 57.2012 30.4180 177.6365 198 Q 3.4066 7.8750 119.9773 55.3041 29.0010 171.6086 199 G 3.8767 8.5254 109.8263 44.2783 0.0000 173.9018 200 I 3.9037 8.3875 124.8487 58.3977 36.1562 172.1074 201 P 4.3411 0.0000 0.0000 61.1598 33.3819 176.7189 202 L 4.0884 8.7496 125.1415 59.3257 42.2349 180.0612 203 E 4.5264 8.2134 118.7993 60.5885 29.5611 180.0312 204 Y 4.3251 7.8599 118.6891 60.3736 39.1066 177.1328 205 L 4.0015 8.8400 122.3913 57.6977 42.0505 178.5022 206 E 3.8382 8.6811 117.8113 58.3657 29.9055 179.1525 207 K 3.7393 7.4586 119.3141 59.1974 32.1951 178.7830 208 L 3.7397 7.7181 120.8977 58.4289 41.6878 178.3931 209 H 4.0379 7.4686 116.8365 60.0123 29.9090 175.9932 210 Y 4.3782 7.2073 117.5716 60.0927 37.1086 178.3407 211 K 3.9753 8.0802 118.5173 60.1871 32.4207 178.4913 212 H 4.1176 7.8566 116.7284 59.4312 29.9576 177.2144 213 E 4.0891 8.4142 122.8355 60.0933 29.1300 180.1344 214 S 4.3047 8.1675 118.3917 63.7749 62.2474 178.0913 215 W 4.8017 8.1285 131.2972 59.8007 30.0793 177.9453 216 L 3.4429 7.7639 122.7698 57.2225 41.4592 177.3725 217 L 4.2738 7.6367 119.4192 57.1187 43.0388 177.0699 218 H 4.2774 8.1705 118.1611 56.9858 29.0767 176.8100 219 R 4.3181 8.2756 115.2851 57.0750 27.1110 176.3257 220 T 4.2982 7.7830 105.8762 61.3461 68.9094 173.8837 221 L 4.4755 7.8125 126.7055 53.9275 43.1934 176.5611 222 K 4.4626 8.4117 128.1173 54.2352 32.8460 172.4803 223 T 4.8444 7.9826 110.5294 59.3918 71.8449 174.5572 224 N 4.2530 8.9477 115.5322 53.6549 37.8431 175.5935 225 F 4.7905 8.3327 118.5522 55.4010 41.5527 175.1621 226 D 4.4936 8.9913 127.5930 57.1093 40.7215 178.0737 227 Y 4.2981 8.4379 117.5192 59.4358 36.7323 177.9402 228 L 3.6102 7.3736 121.7342 57.6562 41.4212 179.1577 229 Q 4.2671 7.7479 117.3093 58.4456 28.6237 177.8811 230 E 4.3523 7.2648 118.2355 56.6197 30.6491 177.2173 231 V 3.6234 7.4851 118.5392 62.6260 32.0668 173.8530 232 P 4.5272 0.0000 0.0000 63.0138 32.5228 175.1517 233 I 4.7299 8.0919 122.8935 59.3760 40.4164 174.4758 234 L 4.4718 8.4669 127.5500 53.4421 45.0852 175.1490 235 T 5.0840 8.1580 120.1209 61.7496 72.0853 173.0524 236 L 4.4855 8.0281 125.8519 52.5873 44.7603 175.4388 237 D 4.1964 8.6633 123.9887 54.1608 40.9197 175.5003 238 V 4.1481 7.7378 118.2551 61.1869 31.8077 177.0480 239 N 4.3698 8.4121 121.1934 56.0742 38.6561 175.0787 240 E 4.5440 7.7960 115.3922 54.4344 31.1197 175.4063 241 D 4.3575 8.6328 121.4630 54.8821 41.6125 176.0636 242 F 4.9673 8.2104 121.8770 57.3176 38.3388 176.8275 243 K 4.4352 8.6839 123.2309 56.4251 31.2525 181.4543 244 D 4.8700 7.8602 115.2134 55.1837 44.7358 181.3409 245 K 4.7771 8.1539 120.1821 55.3225 33.6197 183.3204 *246 Y 4.4605 8.1310 120.7364 61.1235 36.7579 180.1541 247 E 4.1803 7.9328 119.8015 60.9541 29.4576 177.7499 248 S 4.0482 8.2726 111.2394 61.7014 62.2364 175.3334 249 L 4.0759 7.8900 120.5385 58.1250 41.5288 180.0870 250 V 4.0115 8.0132 118.6863 64.5947 31.6621 178.1010 251 E 4.1538 8.2193 118.3632 58.4998 29.3118 179.1309 252 K 4.1042 7.8180 117.9277 59.1234 31.9741 179.4132 253 V 3.8025 7.6555 118.7402 66.0155 31.3520 177.9540 254 K 4.0957 8.3089 116.2554 59.7013 32.0516 178.2234 255 E 4.1431 7.9150 117.4019 59.4943 29.8834 178.3816 256 F 4.5812 8.5667 120.5811 61.2738 39.2877 176.8213 257 L 3.5838 7.8462 117.9566 56.5615 42.8590 178.2892 258 S 4.4397 7.6185 115.7875 56.9123 61.6331 173.7914 259 T 4.3859 6.9097 110.8111 60.8320 71.1522 174.7704 260 L 3.9562 8.7222 125.7050 56.0814 41.7759 174.2253 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 20 R 8.25 4.27 0.00 1.83 2.00 0.00 3.19 0.00 0.00 3.21 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 21 I 7.59 4.14 1.79 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 1.16 0.73 0.82 0.00 0.00 22 K 8.28 4.50 0.00 1.35 1.62 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 1.21 7.81 23 K 8.47 4.55 0.00 1.81 1.86 0.00 1.71 0.00 0.00 2.09 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.83 1.62 7.81 24 I 8.25 5.73 1.47 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.06 1.09 0.00 0.00 25 S 8.98 5.44 0.00 4.10 4.20 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 0.00 0.00 0.00 26 I 8.55 4.97 2.05 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.24 1.08 0.00 0.00 27 E 10.78 5.17 0.00 1.83 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 28 G 8.75 4.63 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 0.00 0.00 0.00 29 N 8.08 4.53 0.00 2.73 2.82 0.00 0.00 6.90 7.45 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 30 I 8.41 3.82 2.02 0.00 0.00 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 1.66 1.10 1.08 0.00 0.00 31 A 8.60 3.85 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 32 A 8.49 4.32 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 33 G 8.89 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.09 4.10 0.00 1.97 2.01 0.00 1.84 0.00 0.00 2.08 0.00 0.00 3.33 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.65 1.61 7.81 35 S 8.37 4.15 0.00 4.31 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 36 T 8.01 4.65 4.29 0.00 0.00 0.00 0.00 0.00 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 37 F 8.37 5.18 0.00 3.20 3.34 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 0.00 0.00 0.00 0.00 38 V 8.11 3.42 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 0.84 0.00 0.00 0.93 0.00 0.00 39 N 8.81 4.74 0.00 2.66 2.93 0.00 0.00 6.90 8.07 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 40 I 7.51 3.94 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 1.64 0.73 0.91 0.00 0.00 41 L 7.37 3.98 0.00 1.52 1.62 -0.31 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.41 4.56 0.00 1.65 1.80 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.20 7.81 43 Q 7.95 4.28 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 44 L 7.13 4.00 0.00 1.66 1.18 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.38 4.38 0.00 3.72 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 46 E 8.82 4.24 0.00 2.01 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 2.23 1.91 0.00 47 D 8.00 4.86 0.00 2.74 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 48 W 8.37 5.66 0.00 3.43 3.26 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 49 E 8.37 4.53 0.00 2.07 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 50 V 8.17 4.97 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 0.93 0.00 0.00 51 V 8.42 4.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.83 0.00 0.00 52 P 0.00 4.62 0.00 2.01 2.03 0.00 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0.00 0.00 0.00 0.00 0.00 142 Y 7.80 3.93 0.00 2.27 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 0.00 143 E 8.54 3.58 0.00 1.80 1.87 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 2.31 2.32 0.00 144 S 7.99 4.26 0.00 3.91 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 E 7.87 3.79 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 146 S 8.63 4.53 0.00 3.82 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 M 7.65 5.01 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.73 0.00 148 N 8.63 4.68 0.00 2.98 3.02 0.00 0.00 6.17 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 0.00 149 E 8.94 4.16 0.00 2.11 2.18 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 2.58 2.49 0.00 150 T 7.86 3.96 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 0.00 151 E 8.16 3.98 0.00 2.30 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 0.00 1.92 2.24 0.00 152 W 8.66 4.76 0.00 3.37 3.28 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 0.00 153 T 8.54 3.71 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 1.15 0.00 0.00 154 I 8.72 3.82 2.05 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.97 1.21 0.00 0.00 155 Y 8.56 4.44 0.00 3.54 3.31 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 0.00 156 Q 7.73 3.76 0.00 1.94 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.40 0.00 0.00 0.00 0.00 0.00 1.80 1.58 0.00 157 D 8.29 4.17 0.00 2.91 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 0.00 158 W 8.44 4.48 0.00 3.69 3.40 0.00 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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 *171 E 9.19 4.21 0.00 1.95 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 2.18 2.48 0.00 172 L 9.11 4.64 0.00 1.47 1.57 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 173 D 8.91 5.00 0.00 2.75 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 0.00 174 G 7.00 4.75 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 0.00 175 I 7.97 5.31 1.75 0.00 0.00 0.62 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 0.84 0.69 0.00 0.00 176 I 8.78 4.98 2.04 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.96 0.94 0.00 0.00 177 Y 9.47 5.23 0.00 2.68 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 8.89 4.13 0.00 1.56 1.40 0.47 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 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0.00 7.25 7.65 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 0.00 196 E 8.06 5.55 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 197 E 7.68 3.80 0.00 1.97 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 2.38 2.37 0.00 198 Q 7.87 3.41 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.65 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 199 G 8.53 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 I 8.39 3.90 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 0.73 0.91 0.00 0.00 201 P 0.00 4.34 0.00 2.16 2.07 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 202 L 8.75 4.09 0.00 1.70 1.69 0.98 0.98 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 0.00 203 E 8.21 4.53 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 1.55 1.60 7.81 212 H 7.86 4.12 0.00 3.18 3.18 0.00 5.61 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 0.00 213 E 8.41 4.09 0.00 2.32 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 2.49 2.60 0.00 214 S 8.17 4.30 0.00 3.73 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 W 8.13 4.80 0.00 3.28 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 0.00 216 L 7.76 3.44 0.00 0.72 1.23 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 217 L 7.64 4.27 0.00 1.60 1.48 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 218 H 8.17 4.28 0.00 3.24 3.34 0.00 5.83 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 R 8.28 4.32 0.00 1.96 2.03 0.00 3.17 0.00 0.00 2.91 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.66 0.00 220 T 7.78 4.30 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 0.00 221 L 7.81 4.48 0.00 1.63 1.65 0.84 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 222 K 8.41 4.46 0.00 1.82 1.57 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.35 0.99 7.81 223 T 7.98 4.84 4.56 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 224 N 8.95 4.25 0.00 2.47 2.40 0.00 0.00 6.70 7.45 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 0.00 225 F 8.33 4.79 0.00 3.16 3.16 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 0.00 0.00 0.00 0.00 226 D 8.99 4.49 0.00 2.80 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 Y 8.44 4.30 0.00 3.31 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 0.00 228 L 7.37 3.61 0.00 1.81 1.72 0.46 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 229 Q 7.75 4.27 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 230 E 7.26 4.35 0.00 2.27 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 2.31 2.49 0.00 231 V 7.49 3.62 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 0.71 0.00 0.00 1.06 0.00 0.00 232 P 0.00 4.53 0.00 2.56 2.23 0.00 3.66 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 233 I 8.09 4.73 1.71 0.00 0.00 0.56 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 0.63 0.82 0.00 0.00 234 L 8.47 4.47 0.00 1.12 1.44 0.75 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 235 T 8.16 5.08 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 0.95 0.00 0.00 236 L 8.03 4.49 0.00 1.21 1.25 0.70 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 237 D 8.66 4.20 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 0.00 238 V 7.74 4.15 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 0.18 0.00 0.00 0.90 0.00 0.00 239 N 8.41 4.37 0.00 2.95 2.89 0.00 0.00 6.96 7.34 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 0.00 240 E 7.80 4.54 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 2.27 2.24 0.00 241 D 8.63 4.36 0.00 2.61 2.58 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 0.00 242 F 8.21 4.97 0.00 3.29 3.20 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 0.00 0.00 0.00 243 K 8.68 4.44 0.00 1.78 1.74 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.25 7.81 244 D 7.86 4.87 0.00 2.69 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 245 K 8.15 4.78 0.00 1.61 1.71 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 0.97 7.81 *246 Y 8.13 4.46 0.00 2.31 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 0.00 0.00 0.00 0.00 247 E 7.93 4.18 0.00 2.14 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 2.32 2.39 0.00 248 S 8.27 4.05 0.00 3.91 3.81 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 0.00 249 L 7.89 4.08 0.00 1.67 1.52 0.43 0.70 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 0.00 250 V 8.01 4.01 2.23 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 1.00 0.00 0.00 1.02 0.00 0.00 251 E 8.22 4.15 0.00 2.18 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 2.36 2.51 0.00 252 K 7.82 4.10 0.00 2.04 1.89 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.77 7.81 253 V 7.66 3.80 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 1.34 0.00 0.00 1.24 0.00 0.00 254 K 8.31 4.10 0.00 1.87 1.98 0.00 1.63 0.00 0.00 2.00 0.00 0.00 3.11 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.51 1.79 7.81 255 E 7.92 4.14 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 256 F 8.57 4.58 0.00 3.05 3.23 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 0.00 257 L 7.85 3.58 0.00 1.93 1.69 0.84 0.48 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 0.00 258 S 7.62 4.44 0.00 4.00 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 0.00 259 T 6.91 4.39 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 1.33 0.00 0.00 260 L 8.72 3.96 0.00 1.89 1.74 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.