NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4569 8.3193 117.0931 57.1366 64.6171 173.6731 1 L 3.9666 7.6528 120.9845 55.4297 40.8835 175.0561 2 Q 4.3724 9.1853 123.9203 56.0228 30.6673 176.3299 3 K 4.6973 8.5480 124.2761 54.3112 36.9358 174.4312 4 L 5.2228 8.9894 122.3284 53.3908 45.2876 174.7420 5 A 5.1578 9.5486 128.5951 50.0826 21.6133 175.0117 6 V 4.6314 8.4432 122.8546 60.0296 34.0477 174.9198 7 F 5.3371 9.3100 123.5093 55.5940 41.9738 174.6051 8 D 4.8630 8.6887 121.9426 53.5411 41.9738 175.0838 9 F 4.4892 9.0418 123.6484 60.0052 39.2151 174.9103 10 D 4.5211 8.0178 118.6179 55.7111 41.1104 177.0539 11 S 4.3615 8.6440 119.3163 59.9112 60.6256 171.8441 12 T 4.5769 7.4110 115.2056 65.1138 70.9075 176.3820 13 L 3.9240 8.3010 120.3623 56.6109 42.5596 177.4751 14 V 4.2368 6.8433 111.3890 59.4814 33.6069 175.6917 15 N 4.1915 8.0865 125.0814 50.0640 36.9153 172.9422 16 A 4.1880 6.5222 122.5723 50.7829 22.3326 175.8849 17 E 4.6263 7.9374 119.3629 54.4423 31.7799 175.9985 18 T 4.0260 8.9408 124.2464 67.1242 68.6872 176.1428 19 I 3.9685 8.0134 119.9062 64.2288 38.1027 177.1722 20 E 4.3038 8.2888 116.8073 58.5639 29.7026 178.6548 21 S 4.3489 8.0969 116.4424 61.2296 62.9681 176.3852 22 L 4.0372 8.2417 121.8991 57.6773 41.4326 179.2754 23 A 4.2577 8.4182 121.2519 55.0810 18.1870 179.6309 24 R 4.3156 8.2116 112.7955 58.3657 29.6410 178.2903 25 A 4.3372 7.3576 120.9787 54.5317 19.2207 178.9090 26 W 4.9452 8.3368 125.7626 58.6859 30.8808 176.6990 27 G 3.9655 9.1545 106.1159 45.9062 0.0000 173.3481 28 V 4.5087 8.5688 116.8487 61.2197 32.8270 176.9178 29 F 4.2598 8.9216 121.8923 61.2875 39.0665 175.9741 30 D 4.1957 8.1928 117.4859 57.6144 40.6410 178.4263 31 E 3.9562 8.1607 118.3556 59.4025 29.4812 179.7320 32 V 3.5228 7.6348 117.7140 65.9349 31.5518 178.0016 33 K 3.7148 8.0570 119.6526 59.5845 31.7486 178.9475 34 T 3.8763 7.6965 115.8508 66.6951 68.2755 176.6423 35 I 3.7573 7.2320 120.3501 64.7494 37.4794 178.2945 36 T 4.0648 7.8734 110.3302 64.7856 68.4971 176.7651 37 L 3.9820 7.3791 120.8846 57.4510 41.7761 179.5451 38 K 4.1294 8.4502 117.0361 58.3322 32.3126 177.4529 39 A 4.5696 7.5568 121.3048 52.0753 19.5033 177.5188 *41 N 4.5093 7.9746 116.9966 53.4383 39.0475 174.7693 42 G 3.8519 8.4891 107.5471 47.1496 0.0000 175.0752 *44 T 4.1301 7.5555 111.0597 59.9933 70.1455 179.3180 45 D 4.6292 8.4104 123.0109 54.0523 43.1879 177.4408 46 F 4.1864 8.8074 126.6078 61.7124 39.5989 176.5784 47 H 3.6381 8.3480 117.2629 59.4698 29.5201 176.8782 48 K 3.7826 7.9681 119.2672 59.6987 31.8824 179.2697 49 S 4.0568 8.0936 115.3071 61.3464 62.6924 176.6454 50 L 3.7899 7.5068 123.2028 58.1417 41.8195 179.1446 51 I 3.7215 7.4454 113.0265 63.8602 37.2892 178.1547 52 L 4.0255 7.7101 121.4119 57.1280 41.7031 179.3592 53 R 4.0790 7.8051 117.7437 59.2460 29.9410 179.3267 54 V 3.6499 7.9592 118.3995 65.6536 31.5717 178.0033 55 S 4.7226 8.2407 115.1191 59.9921 62.5446 175.6861 56 K 4.4653 7.6115 120.3577 57.2559 32.1292 177.0230 57 L 4.5758 7.6931 119.0367 53.9478 41.8610 176.5327 58 K 3.7407 7.8636 120.3687 57.9438 32.3555 172.2876 59 N 4.1524 8.6949 129.8805 52.3097 36.1402 172.0211 *61 P 4.0630 0.0000 0.0000 61.7480 32.7219 178.0968 62 L 3.8791 8.6748 125.1670 57.7518 42.5579 178.9879 63 K 3.7823 8.1772 119.7084 59.1936 32.1407 176.5478 64 L 4.2790 7.1733 117.6587 55.0620 43.3207 175.6091 65 A 4.1040 8.7376 126.4269 53.2908 16.8209 180.2426 66 K 4.0576 7.4447 114.5476 59.3272 32.2771 178.3669 67 E 4.0785 7.9933 120.0059 58.7958 29.4826 178.8132 68 V 3.6814 7.6155 117.8403 66.4129 31.5930 177.6874 69 C 4.2934 8.4806 115.0621 62.1891 27.9520 175.0289 70 E 4.4410 7.4980 116.4362 55.8893 29.3517 176.2538 71 S 4.7930 7.9446 113.5111 57.9412 64.1001 174.0904 72 L 4.1979 8.0082 122.1366 53.7224 41.9728 175.2120 73 P 4.3935 0.0000 0.0000 62.9591 32.3240 175.4414 74 L 4.6934 8.2761 122.9570 53.5571 43.3331 176.4863 75 F 4.2898 8.7871 121.1465 57.0359 40.3155 175.3821 76 E 4.1118 8.9842 121.8746 57.9720 30.0742 178.4575 77 G 3.9163 8.9103 109.2313 45.8477 0.0000 174.7834 78 A 3.6746 7.1958 120.9709 55.9005 18.1193 179.1759 79 L 3.8629 7.7294 116.1636 58.0655 42.4102 179.1609 80 E 3.9129 8.0876 118.6663 59.1398 29.6053 178.4429 81 L 3.9230 8.5123 120.7381 58.1535 42.1754 179.0985 82 V 3.6188 7.7843 118.2195 66.1283 31.4086 178.2342 83 S 4.1410 8.3352 114.8370 61.4540 62.7427 176.5021 84 A 4.4301 8.0479 124.8588 54.3511 18.0897 179.8262 85 L 3.9999 8.0003 117.8410 57.9658 41.7714 179.7260 86 K 4.3031 8.3159 118.7671 59.4045 31.8187 179.2350 87 E 3.9965 8.5365 117.4034 58.9890 29.6391 178.1382 88 K 4.5137 7.6543 116.0926 55.9105 32.2365 175.8520 89 N 4.1871 8.1910 115.9731 55.1858 37.4501 172.9224 90 Y 4.9674 7.8664 113.2377 56.1563 40.7577 176.3631 91 K 4.6286 8.9649 122.3684 55.5382 34.3000 175.8118 92 V 4.9681 9.4983 124.7617 61.2356 34.0907 174.5435 93 V 5.1423 9.2899 126.7393 61.4091 36.0345 173.2137 94 C 5.4328 8.9725 123.9596 57.7007 34.3261 172.5426 95 F 5.9022 9.1653 124.8175 56.2818 41.9059 174.7594 96 S 4.7149 8.9481 116.4134 57.1578 65.8725 174.8351 97 G 3.9050 9.0827 113.3364 47.4711 0.0000 174.7524 98 G 3.4475 8.4094 113.9749 45.8277 0.0000 172.8777 99 F 5.7542 7.7746 119.9731 55.1620 42.1411 175.9560 100 D 4.9068 9.0373 126.5259 55.4792 38.8061 178.5961 101 L 3.8851 8.1218 121.0106 57.5779 42.3084 177.7201 102 A 4.5469 8.1518 120.3848 54.4448 19.6956 179.3884 103 T 3.5906 7.5143 107.7076 64.7549 68.8565 176.3853 104 N 4.2538 8.2919 119.7257 56.2192 38.4543 176.7323 105 H 3.9761 8.0744 119.1425 59.6429 30.0581 176.7937 106 Y 3.9845 7.7651 117.6763 60.3670 37.7283 177.9810 107 R 3.9105 8.2588 120.3135 59.5331 30.3094 178.3759 108 D 4.2323 7.9358 118.4478 57.1763 40.6476 178.2863 109 L 3.7947 7.6028 119.6543 58.1342 42.1690 178.5175 110 L 4.2213 8.1667 115.9986 54.5901 42.1724 176.2116 111 H 4.0692 7.6932 114.5262 56.7546 26.3557 175.2768 112 L 4.3236 8.1497 118.4698 54.7588 42.1919 177.7038 113 D 4.6498 8.7044 121.1630 57.1367 41.4565 176.3445 114 A 4.4171 7.6248 116.9059 51.1888 22.5221 175.1247 115 A 5.0287 8.0922 120.5388 50.3751 22.3362 175.5559 116 F 4.8761 9.7325 122.1156 55.9406 41.8919 175.2504 117 S 5.1276 8.3858 116.9050 58.4817 65.0719 172.9899 118 N 5.0184 8.8657 118.1089 53.1584 41.1344 174.2995 119 T 4.8740 9.2266 117.1916 61.8270 71.3858 173.7533 120 L 4.3999 8.5091 126.8585 53.9845 42.5331 176.7325 121 I 3.9141 8.3590 126.2040 60.9953 38.3560 175.3985 122 V 4.4460 8.3153 126.5151 61.0914 32.4389 174.9099 123 E 4.3002 9.0121 129.4344 55.0793 28.8228 172.7839 124 N 4.1209 9.3617 117.9848 54.3175 35.5942 174.2965 125 D 4.5212 8.2831 116.4611 54.0274 41.1590 172.9079 126 A 4.8964 7.3098 118.8694 50.4910 22.5258 175.3009 127 L 4.2540 7.8812 119.5221 54.6531 42.4009 178.3131 128 N 4.1353 8.7146 122.6732 56.3675 39.3524 176.0662 129 G 4.0104 8.2038 103.8473 44.8661 0.0000 172.4980 130 L 5.1399 7.4499 119.4025 53.2843 44.9997 175.5067 131 V 5.1216 7.8306 117.6948 62.0993 34.0411 172.5217 132 T 4.5283 8.6036 116.3921 60.9833 71.5015 173.0396 133 G 3.6904 8.3759 109.1187 45.1514 0.0000 174.4017 134 H 4.3961 8.1299 117.3449 55.4686 27.7630 175.1070 *137 F 4.7380 7.8967 117.0013 57.4459 40.0023 176.0014 138 S 4.1808 8.9230 114.2206 59.4545 63.1241 174.1995 139 H 4.9516 7.9079 116.2304 55.2369 30.3184 175.2180 140 S 4.1899 8.0033 118.0653 61.5673 62.5885 176.4404 141 K 4.1637 7.9993 119.8800 59.5235 32.2352 179.1815 142 G 4.0153 7.9348 106.7993 47.1279 0.0000 175.6758 143 E 3.8841 8.0765 118.2666 56.5925 29.2059 178.6447 *145 L 4.5456 7.8380 122.3428 55.3215 44.0932 178.6330 146 L 3.9578 7.8152 118.3944 57.8202 41.3957 179.8219 147 V 3.5243 7.8359 117.9016 66.1233 31.5433 178.1306 148 L 4.0229 7.8809 118.1395 57.9249 41.5684 179.4681 149 Q 4.0464 8.4938 118.5991 58.7436 28.4231 178.5789 150 R 3.8787 8.1511 119.9244 59.3705 29.9292 178.4063 151 L 3.9082 7.9740 119.1581 57.5067 42.2388 177.9449 152 L 4.3058 7.9037 116.2138 53.4552 43.2501 175.6186 153 N 4.1928 7.5552 116.5109 54.8216 37.3975 173.9031 154 I 4.5125 7.7418 117.7099 59.4386 40.6586 176.8098 155 S 4.5227 8.3498 119.7198 56.9418 64.7493 174.8886 156 K 4.0515 8.5286 120.5153 59.7912 32.2270 178.5541 157 T 3.7859 7.3239 114.8995 66.7120 68.4668 174.8030 158 N 4.8726 7.8254 115.7823 53.4756 38.9537 174.0053 159 T 5.1028 7.8604 115.4302 61.6928 71.4198 173.1687 160 L 5.1107 9.2766 127.9109 53.0863 45.2077 175.3809 161 V 4.7421 8.5241 125.1890 59.8156 34.9823 174.6778 162 V 4.7663 8.2907 122.0378 61.5723 34.8643 174.6525 163 G 4.5862 8.9894 114.1679 45.5981 0.0000 172.1364 164 D 4.9770 9.1676 114.8938 52.8484 42.1797 175.5867 165 G 4.1435 8.6213 108.0060 42.9834 0.0000 173.8193 166 A 3.8629 8.4899 120.8295 55.4263 18.7592 179.4190 167 N 4.0821 8.3290 112.9633 56.8587 38.3508 176.9133 168 D 4.6151 7.3715 116.9797 56.7382 41.3343 178.6327 169 L 3.8706 8.1612 120.4799 57.1314 40.9181 179.3487 170 S 4.4550 8.2710 112.1466 58.8715 62.6212 176.0435 *172 F 4.7540 8.1661 121.8304 58.2395 40.5193 177.1029 173 K 3.8873 7.9168 120.0326 59.1504 31.8687 176.5987 174 H 4.9814 8.1316 114.0296 55.1750 29.5599 173.0592 175 A 4.7735 7.8031 121.2094 50.4744 21.7621 176.8196 176 H 4.4193 9.0507 122.0043 58.8566 30.7691 175.4159 177 I 4.2816 7.5606 119.4873 59.2428 39.6411 174.8825 178 K 4.2126 8.6876 126.5859 54.4519 35.0117 175.1591 179 I 4.7594 8.4902 127.2442 59.8330 39.2584 175.1376 180 A 5.1018 8.8895 130.1491 50.6227 19.6768 175.4202 181 F 4.5568 9.4450 125.0818 58.2754 39.8818 175.9655 182 N 3.7584 8.1908 127.3152 54.0321 36.3391 173.7045 183 A 4.5039 7.4213 120.8332 51.2511 20.5894 177.3560 184 K 4.4252 8.2830 118.3985 55.4398 33.7180 178.2893 185 E 3.9167 8.9171 121.2027 59.9303 29.0742 180.1130 186 V 3.5716 7.6507 116.0255 65.9131 31.8676 177.3359 187 L 3.8213 7.7301 119.3062 58.1975 41.8562 178.5744 188 K 3.8871 8.0394 118.3923 59.9217 31.7956 178.8084 189 Q 4.0605 8.0439 117.8365 58.1838 29.0558 176.0989 190 H 4.7793 8.2652 114.6272 55.3984 29.9083 174.3574 191 A 4.4194 7.5847 122.8446 52.3294 18.9620 177.8277 192 T 4.2129 8.4725 117.1567 66.5228 69.4480 175.1711 193 H 4.7420 7.8434 118.0839 55.2635 33.3501 172.1174 194 C 5.3414 8.2400 121.5588 58.0597 30.7973 173.0889 195 I 4.3404 8.4784 124.1174 59.5329 38.7100 176.0266 196 N 4.9745 8.6877 123.4431 52.6597 39.2156 173.9303 197 E 4.6286 7.7432 117.0536 53.6570 33.4124 175.3292 198 P 4.5370 0.0000 0.0000 62.5448 29.9521 177.4757 199 D 4.8441 7.8206 117.3877 52.4641 43.3139 175.2144 200 L 3.7691 8.7026 128.3552 57.3511 41.6250 179.2190 201 A 4.0235 8.2200 120.5614 54.4486 18.0362 178.9687 202 L 4.1908 7.7731 116.3879 56.7644 41.8292 178.5027 203 I 4.1224 7.9801 120.6516 62.7274 37.4627 177.8415 204 K 3.8633 7.9387 119.2143 59.1374 32.3400 176.7746 205 P 4.4689 0.0000 0.0000 64.0901 31.2295 176.4029 206 L 4.5535 7.8675 118.3852 54.7806 42.9102 177.6444 207 I 3.7959 7.8852 114.7795 63.2871 38.0671 176.5376 *208 E 4.1388 8.2158 120.3171 55.9272 29.4987 175.7355 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 0 S 8.32 4.46 0.00 3.65 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 L 7.65 3.97 0.00 1.78 1.66 0.88 0.16 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 2 Q 9.19 4.37 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.19 0.00 3 K 8.55 4.70 0.00 0.79 1.28 0.00 0.95 0.00 0.00 1.19 0.00 0.00 2.63 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.10 1.14 7.81 4 L 8.99 5.22 0.00 1.74 1.50 1.01 1.48 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 5 A 9.55 5.16 0.99 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 0.00 0.00 6 V 8.44 4.63 1.73 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 0.54 0.00 0.00 -0.24 0.00 0.00 7 F 9.31 5.34 0.00 2.99 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 8 D 8.69 4.86 0.00 2.95 2.66 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 0.00 0.00 0.00 0.00 9 F 9.04 4.49 0.00 3.16 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.02 4.52 0.00 2.81 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 11 S 8.64 4.36 0.00 4.27 4.09 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 12 T 7.41 4.58 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 1.31 0.00 0.00 13 L 8.30 3.92 0.00 1.57 1.47 0.94 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 14 V 6.84 4.24 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 -0.05 0.00 0.00 -0.01 0.00 0.00 15 N 8.09 4.19 0.00 1.44 2.13 0.00 0.00 7.04 7.57 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 16 A 6.52 4.19 1.15 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 0.00 0.00 17 E 7.94 4.63 0.00 2.12 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 2.33 2.49 0.00 18 T 8.94 4.03 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 1.53 0.00 0.00 19 I 8.01 3.97 2.12 0.00 0.00 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 1.84 1.58 1.02 0.00 0.00 20 E 8.29 4.30 0.00 2.52 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 2.58 2.59 0.00 21 S 8.10 4.35 0.00 4.28 4.03 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 22 L 8.24 4.04 0.00 2.10 1.81 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.42 4.26 1.56 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 0.00 0.00 0.00 24 R 8.21 4.32 0.00 1.75 2.17 0.00 2.99 0.00 0.00 3.06 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.63 0.00 25 A 7.36 4.34 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.34 4.95 0.00 3.37 3.17 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 0.00 0.00 0.00 27 G 9.15 3.97 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 0.00 0.00 0.00 28 V 8.57 4.51 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 0.99 0.00 0.00 0.91 0.00 0.00 29 F 8.92 4.26 0.00 3.17 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 30 D 8.19 4.20 0.00 2.76 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 31 E 8.16 3.96 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 32 V 7.63 3.52 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 1.01 0.00 0.00 1.01 0.00 0.00 33 K 8.06 3.71 0.00 1.13 1.55 0.00 1.09 0.00 0.00 1.40 0.00 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0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.15 4.32 0.00 1.59 1.63 0.91 1.04 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 0.00 113 D 8.70 4.65 0.00 2.75 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 0.00 114 A 7.62 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.09 5.03 1.12 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 0.00 116 F 9.73 4.88 0.00 2.90 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 0.00 117 S 8.39 5.13 0.00 4.04 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 0.00 118 N 8.87 5.02 0.00 2.96 3.03 0.00 0.00 7.25 6.83 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 0.00 119 T 9.23 4.87 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 1.21 0.00 0.00 120 L 8.51 4.40 0.00 1.35 1.37 0.46 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.36 3.91 1.82 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 1.08 0.54 0.87 0.00 0.00 122 V 8.32 4.45 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 0.80 0.00 0.00 0.85 0.00 0.00 123 E 9.01 4.30 0.00 1.99 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 2.19 2.27 0.00 124 N 9.36 4.12 0.00 2.82 2.76 0.00 0.00 7.18 8.06 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 0.00 125 D 8.28 4.52 0.00 2.83 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 0.00 126 A 7.31 4.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 7.88 4.25 0.00 1.44 1.47 0.74 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 128 N 8.71 4.14 0.00 2.74 2.85 0.00 0.00 7.44 7.57 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 0.00 129 G 8.20 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 7.45 5.14 0.00 1.59 1.53 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 131 V 7.83 5.12 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 0.95 0.00 0.00 1.11 0.00 0.00 132 T 8.60 4.53 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 0.00 133 G 8.38 3.69 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 0.00 0.00 0.00 134 H 8.13 4.40 0.00 3.33 3.31 0.00 5.74 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *137 F 7.90 4.74 0.00 3.18 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 0.00 138 S 8.92 4.18 0.00 3.78 4.09 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 0.00 139 H 7.91 4.95 0.00 3.19 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.00 4.19 0.00 3.95 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 0.00 141 K 8.00 4.16 0.00 1.79 2.11 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.18 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.69 1.54 7.81 142 G 7.93 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 0.00 143 E 8.08 3.88 0.00 2.16 1.92 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 2.31 2.47 0.00 *145 L 7.84 4.55 0.00 2.19 2.02 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.82 3.96 0.00 2.00 1.65 0.69 0.68 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 0.00 147 V 7.84 3.52 1.94 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 0.92 0.00 0.00 0.90 0.00 0.00 148 L 7.88 4.02 0.00 2.02 1.81 0.72 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 8.49 4.05 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 150 R 8.15 3.88 0.00 2.04 2.09 0.00 3.13 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 151 L 7.97 3.91 0.00 1.67 1.79 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.90 4.31 0.00 1.67 1.71 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 153 N 7.56 4.19 0.00 2.89 2.81 0.00 0.00 6.91 7.82 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 0.00 154 I 7.74 4.51 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.87 0.90 0.00 0.00 155 S 8.35 4.52 0.00 3.99 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.53 4.05 0.00 1.83 1.85 0.00 1.78 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.53 1.70 7.81 157 T 7.32 3.79 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 1.12 0.00 0.00 158 N 7.83 4.87 0.00 2.75 2.72 0.00 0.00 6.92 6.93 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 0.00 159 T 7.86 5.10 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 1.20 0.00 0.00 160 L 9.28 5.11 0.00 1.63 1.38 0.73 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 161 V 8.52 4.74 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 0.69 0.00 0.00 1.04 0.00 0.00 162 V 8.29 4.77 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 1.00 0.00 0.00 0.54 0.00 0.00 163 G 8.99 4.59 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 0.00 0.00 0.00 164 D 9.17 4.98 0.00 2.72 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 0.00 165 G 8.62 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 A 8.49 3.86 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 N 8.33 4.08 0.00 2.59 2.67 0.00 0.00 7.07 8.08 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 0.00 168 D 7.37 4.62 0.00 2.64 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 0.00 169 L 8.16 3.87 0.00 1.65 1.60 0.76 0.20 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 0.00 170 S 8.27 4.46 0.00 4.02 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *172 F 8.17 4.75 0.00 3.19 3.19 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 0.00 173 K 7.92 3.89 0.00 1.88 1.88 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.20 1.37 7.81 174 H 8.13 4.98 0.00 3.17 3.28 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 A 7.80 4.77 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 0.00 176 H 9.05 4.42 0.00 3.20 3.54 0.00 5.89 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 I 7.56 4.28 1.77 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 1.01 0.35 0.78 0.00 0.00 178 K 8.69 4.21 0.00 0.83 0.74 0.00 1.34 0.00 0.00 1.74 0.00 0.00 2.69 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.65 0.96 7.81 179 I 8.49 4.76 1.84 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 1.02 1.17 1.05 0.00 0.00 180 A 8.89 5.10 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 0.00 181 F 9.44 4.56 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 0.00 182 N 8.19 3.76 0.00 2.19 2.59 0.00 0.00 7.04 7.31 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 0.00 183 A 7.42 4.50 1.24 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 0.00 0.00 0.00 184 K 8.28 4.43 0.00 1.85 1.70 0.00 1.85 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.43 7.81 185 E 8.92 3.92 0.00 1.96 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 2.40 2.35 0.00 186 V 7.65 3.57 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.91 0.00 0.00 187 L 7.73 3.82 0.00 1.73 1.55 0.73 -0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 188 K 8.04 3.89 0.00 2.00 1.88 0.00 1.78 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.48 7.81 189 Q 8.04 4.06 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 190 H 8.27 4.78 0.00 3.27 3.48 0.00 5.90 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 A 7.58 4.42 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 T 8.47 4.21 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 1.13 0.00 0.00 193 H 7.84 4.74 0.00 3.14 3.06 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 C 8.24 5.34 0.00 2.76 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 0.00 195 I 8.48 4.34 2.02 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.13 1.06 0.00 0.00 196 N 8.69 4.97 0.00 2.61 2.71 0.00 0.00 6.90 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 0.00 197 E 7.74 4.63 0.00 1.90 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 0.00 2.18 2.20 0.00 198 P 0.00 4.54 0.00 2.49 2.41 0.00 3.71 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 199 D 7.82 4.84 0.00 2.72 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 L 8.70 3.77 0.00 1.67 1.46 0.64 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 201 A 8.22 4.02 1.42 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 0.00 0.00 202 L 7.77 4.19 0.00 1.99 1.82 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 203 I 7.98 4.12 1.98 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 1.61 0.72 0.85 0.00 0.00 204 K 7.94 3.86 0.00 1.96 2.07 0.00 1.33 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.66 1.39 7.81 205 P 0.00 4.47 0.00 2.18 2.21 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 206 L 7.87 4.55 0.00 1.74 1.67 0.81 0.95 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 0.00 207 I 7.89 3.80 1.83 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 1.38 0.58 0.81 0.00 0.00 *208 E 8.22 4.14 0.00 2.14 1.80 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 2.14 1.85 0.00 * Residues marked with a * may have inaccurate shift predictions.