NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4530 8.3344 116.7987 57.5429 65.3014 173.9889 1 L 3.6948 9.4859 127.6907 55.7609 42.1277 175.7122 2 Y 4.4725 7.3357 118.5891 54.6726 38.4388 174.5048 3 K 5.0784 8.7042 124.9617 54.4154 35.0232 174.2931 4 L 5.1663 8.9919 130.0758 53.5796 44.4092 174.5783 5 Y 4.7970 9.5354 125.3830 57.9224 39.1043 174.0744 6 S 4.4215 9.0171 121.3208 57.8738 65.7832 173.5828 *8 Q 4.2266 8.9188 116.6914 56.3062 30.6656 178.0440 9 R 4.5528 7.7134 115.0662 56.1660 30.2735 177.1376 10 S 4.8494 7.6977 111.7845 55.7354 65.9879 172.8970 11 G 3.4645 8.9329 115.9348 48.2259 0.0000 175.2851 12 N 4.2496 8.0014 118.6278 56.0083 38.5661 177.5869 13 S 4.4188 7.7915 115.8144 61.3687 62.4506 176.0041 14 Y 4.2630 8.2812 122.3677 60.7800 38.5759 178.1240 15 K 3.7245 7.7779 119.6086 59.6264 32.1514 179.0985 16 V 3.4721 7.1917 118.3852 66.0831 31.4799 178.3065 17 R 3.8723 7.9412 117.8595 58.9203 29.7806 178.9102 18 L 3.6267 8.0082 120.4187 57.8395 42.0053 178.6709 19 A 3.8739 7.6305 120.6225 55.2908 18.2352 179.3477 20 L 3.8485 7.8595 117.1053 58.0612 41.7242 179.8631 21 A 3.9089 7.9083 120.3692 55.2133 18.1176 179.7407 22 L 3.9219 7.9446 116.6072 57.6420 41.7259 179.1734 23 L 4.1281 8.0130 117.2925 54.4689 42.1912 176.0480 24 D 4.2767 7.6982 117.0511 54.9780 40.0309 173.0657 25 A 4.6687 8.1762 121.0069 49.5873 20.3097 176.2106 26 P 4.5815 0.0000 0.0000 63.0786 32.1727 175.0595 27 Y 5.0864 7.9285 117.7737 56.1514 41.2946 173.4500 28 R 4.4325 9.2692 121.3034 55.0220 31.6755 174.7039 29 A 5.2350 8.4600 127.9827 50.3704 21.4477 176.1194 30 V 4.2116 8.5666 121.1986 60.7524 34.2548 174.3424 31 E 4.6121 8.8904 129.8401 56.1295 30.4602 175.9065 32 V 4.2023 8.5177 126.5752 61.2747 33.9408 175.0102 33 D 4.6274 8.5469 128.1115 53.2985 40.7095 176.0687 34 I 4.4893 7.8336 125.0077 60.1972 38.4293 175.9215 35 L 3.7641 8.9034 117.8533 55.3978 39.3012 175.1355 36 R 4.2814 7.2400 118.8053 56.3575 32.2330 175.1709 37 G 3.9818 8.5431 102.7701 45.8530 0.0000 175.0807 38 E 3.9522 8.3668 119.8283 58.4227 29.4990 177.7469 39 S 3.7479 7.7026 111.1680 57.8282 63.4552 174.6230 40 R 4.3883 7.7790 119.9424 57.1610 31.0276 177.5364 41 T 4.1856 7.5889 109.0590 60.7926 70.9815 173.4640 42 P 4.3538 0.0000 0.0000 65.7694 31.1484 178.5952 43 D 4.2835 7.9561 115.8201 57.1197 41.4538 177.6612 44 F 3.8857 8.0765 120.7083 61.2297 39.2604 177.1895 45 L 4.0882 8.2878 117.1399 57.4590 41.3835 179.0781 46 A 4.0274 7.7366 120.1376 54.2363 18.2642 179.0975 47 K 3.8885 7.3298 116.2991 56.8070 32.9450 176.5331 48 N 4.5459 6.7145 118.4610 50.8983 40.2475 172.2580 49 P 4.2373 0.0000 0.0000 65.6555 31.4845 177.8416 50 S 4.3194 8.0744 111.4027 58.1917 63.3961 173.8072 51 G 4.2047 8.0667 109.0926 47.0593 0.0000 173.3937 52 Q 4.8340 8.5290 115.9741 53.5235 31.8861 176.0293 53 V 4.6004 8.1685 119.5208 59.2665 33.7888 173.6662 54 P 5.1079 0.0000 0.0000 62.2186 33.3982 174.8076 55 L 4.8921 8.9556 121.5815 53.5285 45.9644 174.2736 56 L 5.0330 9.1579 128.9197 53.3607 43.7396 174.7345 57 E 4.7089 9.6855 129.4725 55.9980 29.7363 176.6191 58 T 4.3195 8.6461 118.1716 62.4068 70.1998 174.4937 59 A 4.6913 7.2398 122.5779 48.6721 22.4014 172.5050 60 P 4.1887 0.0000 0.0000 63.9954 31.1744 176.5710 61 G 3.7999 8.7588 110.5009 45.9090 0.0000 171.7893 62 R 4.4629 7.4958 120.4855 54.2722 32.1066 174.4156 63 Y 5.2422 8.5684 123.1154 56.0381 41.5084 174.5239 64 L 4.7334 9.2329 124.6441 53.2969 44.7859 175.4190 65 A 4.8596 8.5327 126.9263 50.8487 22.5576 171.4909 66 E 3.8292 8.8559 125.0314 56.3244 28.0797 176.0776 67 S 4.1092 8.6200 119.8901 61.6399 62.9138 176.2104 68 N 4.3390 8.1076 119.3238 55.8357 38.3004 177.1381 69 A 4.0987 7.9073 121.9542 55.1183 18.6460 179.5187 70 I 3.7009 8.1273 118.7009 64.4674 37.1564 178.6499 71 L 3.9921 8.2528 120.0545 57.4385 41.3291 179.3388 72 W 3.9743 8.3180 128.2836 60.6031 30.4707 177.1039 73 Y 4.1798 8.2006 118.1844 61.0654 38.2903 178.1535 74 L 3.9996 7.9842 117.7439 56.8855 42.0372 178.3820 75 A 4.2581 7.5841 119.3975 51.3564 18.9746 177.2006 76 V 3.3019 6.4095 116.9352 63.9409 31.7760 175.9117 77 G 3.8026 8.7423 114.8318 46.3675 0.0000 172.3560 78 T 4.6499 7.4161 109.6909 58.7316 71.6237 174.8062 79 S 4.1374 8.4841 115.1058 60.7255 63.1032 174.9287 80 L 4.2388 8.0288 120.0356 54.5791 41.7906 175.4839 81 A 4.7768 7.4010 122.7161 49.2016 20.6336 175.0962 82 P 4.5587 0.0000 0.0000 62.3616 32.5377 176.2801 83 D 4.4409 8.6118 118.1446 56.6137 41.2113 177.3656 84 T 4.5307 7.4503 107.9478 59.6590 71.0216 175.6231 85 R 4.1778 8.3903 118.5800 57.3866 29.9354 177.8110 *87 D 4.6895 8.2178 117.9345 54.0393 43.1114 178.0920 88 R 4.1058 8.4811 117.9528 59.4261 30.0630 178.8579 89 A 4.1191 8.3136 120.4942 55.3094 18.1686 179.3167 90 E 4.0473 8.2517 117.1076 59.2615 29.5722 178.7971 91 A 4.2905 8.0958 120.1825 55.2940 18.6155 179.1700 92 L 4.1049 8.0699 116.3515 57.9158 41.9727 179.0507 93 Q 4.2424 8.6554 119.9174 59.0446 29.0254 179.5046 94 W 4.1171 7.8648 119.5476 56.9949 29.6713 178.5210 *96 F 4.6851 8.0671 119.0815 57.6538 40.7464 177.1680 97 F 3.8504 8.3515 122.1278 61.5623 39.0213 176.8945 98 E 3.8521 8.4921 118.5347 59.2798 29.1397 178.5322 99 Q 4.0457 7.8806 118.7513 58.6027 29.3483 176.6236 100 H 4.6175 7.8662 113.9367 56.6547 29.3581 176.4598 101 A 4.1662 7.6246 122.8492 52.9254 19.1729 177.5664 102 L 4.4813 7.4301 115.4342 56.0047 43.5883 177.2247 103 E 3.6653 8.1764 119.1692 55.2076 29.8164 174.6108 104 P 3.1936 0.0000 0.0000 62.5658 31.7688 175.9257 *126 A 4.3478 8.4735 122.8856 52.7406 20.6908 179.8684 127 L 4.3769 7.9348 119.2938 59.5540 41.0057 183.2981 128 E 4.0961 8.3056 119.7708 59.2738 29.5998 177.9823 129 D 4.4147 8.2244 117.2479 57.5802 41.2198 178.6408 130 W 4.2393 7.9438 127.1152 60.3365 30.7775 177.8080 131 L 3.3594 7.9148 120.3910 57.8768 41.5754 178.7871 132 E 4.0869 8.5664 119.1172 59.1994 29.4187 179.2157 133 R 4.0719 8.1898 119.1152 59.1808 30.0635 178.8013 134 G 3.3422 7.9478 105.7532 47.6263 0.0000 175.2011 135 Y 4.1632 7.9516 121.3524 60.5519 38.8663 177.8207 136 A 3.9114 8.1428 121.3956 54.7637 18.2020 179.4762 137 A 4.1650 7.8182 118.8831 55.3563 18.5254 179.3117 138 L 3.7323 7.7451 116.7060 57.9680 41.7775 179.2995 139 Q 4.2504 7.7387 119.2399 58.9896 28.7911 179.0092 140 V 3.7879 7.5972 116.0385 63.5550 31.2339 177.1032 *142 E 4.2486 8.0922 118.6289 55.8527 31.1276 177.4235 143 N 4.3370 8.3960 114.9585 56.6822 38.8652 176.6041 144 H 4.3277 8.0613 119.6058 59.0662 29.8331 176.9735 145 L 4.2861 7.3978 119.3710 55.7479 41.6130 178.7644 146 K 4.1367 7.6151 118.9869 58.4944 31.9938 177.4941 147 T 4.5696 7.3923 105.2395 60.9359 69.6725 173.3109 148 N 4.9398 7.2605 118.6395 52.1044 42.5708 174.8652 149 D 4.2376 8.4964 120.6290 55.7550 41.6051 176.2970 150 Y 4.7786 7.1800 114.1582 55.7010 41.9496 175.4556 151 F 3.4908 9.2940 121.1725 59.7543 39.1094 176.0552 152 A 4.7770 7.5501 121.3606 51.2797 21.8592 175.8253 153 A 3.7190 9.6086 122.0048 52.2403 16.9065 178.3213 154 G 4.1127 8.5083 103.2341 46.7579 0.0000 173.5544 155 Q 3.9922 7.5922 115.4107 53.4063 31.7086 174.1381 156 L 4.1269 7.2812 120.9676 55.5294 42.3588 176.0269 157 T 4.8686 8.8912 115.2531 58.6844 72.2363 174.4003 158 I 3.7238 8.4069 114.7181 64.2873 36.8986 177.9977 159 A 4.1417 8.0767 122.2770 55.1808 18.0991 179.3663 160 D 4.9530 8.2861 117.6142 57.7593 40.9171 178.9250 161 I 3.7658 7.9943 119.6723 64.2643 36.9169 177.8763 162 A 4.0653 8.0370 120.5147 55.5923 18.4174 179.5692 163 L 4.2198 8.0358 116.7147 57.7868 41.6387 179.0682 164 Y 4.3855 8.7918 120.3206 60.7317 38.3359 177.8582 165 G 3.8828 7.8775 106.5011 48.6120 0.0000 174.8680 166 Y 4.5973 7.8148 118.4484 59.8723 38.5100 178.1243 167 T 3.9899 7.8836 117.0980 66.6507 68.4493 175.9520 168 H 3.9284 8.5996 120.5028 59.3641 29.7531 177.3657 169 V 3.5621 7.5684 113.4401 64.7389 31.4695 178.4651 170 A 3.9140 8.0822 120.0862 55.0930 17.9331 179.2641 171 D 4.3442 7.6596 115.0460 57.6206 41.5618 177.8516 172 Q 4.3981 8.4942 115.4278 56.1725 29.7344 175.5563 173 C 4.9031 7.5678 114.7251 57.4440 29.5830 174.7352 174 D 4.7170 8.4556 116.6714 54.2049 38.4753 174.7276 175 F 3.7164 8.1238 119.4485 57.3738 39.3134 175.0643 176 D 4.5578 8.5815 124.7636 54.2480 40.0185 175.1977 177 L 5.0320 8.3844 125.1247 54.3508 42.1815 178.9742 178 S 4.4090 8.1983 115.6855 61.2510 62.8038 175.3606 179 T 4.0225 7.6015 108.6204 62.0796 69.6970 174.6449 180 F 5.1843 8.0225 121.9203 55.5553 39.1163 174.0917 181 P 4.3069 0.0000 0.0000 65.9047 31.6173 178.4030 182 A 3.9729 8.3494 120.1322 54.8517 18.2639 179.5744 183 V 3.7418 8.1516 116.4995 66.3679 31.6844 177.9488 184 N 4.4610 8.5306 115.9767 56.4334 38.4163 177.2065 185 A 4.0280 8.7816 122.4464 54.8592 18.4240 179.4575 186 W 3.9640 8.4620 126.8818 60.6063 30.8948 178.0749 187 L 3.6063 8.5804 119.3329 57.8493 41.0412 179.8225 188 R 4.0282 7.6883 118.7223 58.6594 29.7614 179.1006 189 R 3.7745 7.4596 116.7886 59.3289 30.3945 178.9128 190 V 3.4285 7.1396 117.6812 65.9741 31.5440 177.9964 191 E 2.0000 7.3137 117.4189 58.0205 28.9201 178.4469 192 Q 4.2456 7.3376 115.9667 55.7346 29.5624 176.2971 193 T 3.9564 7.0829 119.0186 62.4034 69.0311 172.2324 194 P 4.3900 0.0000 0.0000 64.3009 31.7088 176.8293 195 G 3.8729 8.9270 111.3375 44.7477 0.0000 173.4280 196 F 4.0322 7.8033 122.0465 58.3974 39.7943 174.2611 197 I 4.3150 6.7975 119.4099 58.9428 41.5667 173.9601 198 T 4.7218 8.0400 117.8028 60.9648 67.2004 175.8251 *200 D 4.4089 8.8983 117.7829 52.1644 40.6409 174.8641 201 W 4.3189 7.9905 129.9767 57.7311 31.2583 175.3652 202 T 4.0368 6.8939 113.2529 58.3990 71.4637 172.0293 203 P 3.7985 0.0000 0.0000 62.9845 31.2814 176.3920 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 8.33 4.45 0.00 3.85 3.71 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 1 L 9.49 3.69 0.00 1.52 1.17 0.94 0.57 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 2 Y 7.34 4.47 0.00 3.11 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 3 K 8.70 5.08 0.00 1.89 1.73 0.00 1.87 0.00 0.00 1.48 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.92 1.20 7.81 4 L 8.99 5.17 0.00 1.70 1.62 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 9.54 4.80 0.00 3.10 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 6 S 9.02 4.42 0.00 3.93 3.73 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 *8 Q 8.92 4.23 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 7.32 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 9 R 7.71 4.55 0.00 1.85 1.93 0.00 3.21 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 10 S 7.70 4.85 0.00 3.87 3.72 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 11 G 8.93 3.46 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 0.00 0.00 0.00 12 N 8.00 4.25 0.00 2.78 2.89 0.00 0.00 7.10 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 13 S 7.79 4.42 0.00 4.19 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.28 4.26 0.00 3.03 3.12 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 15 K 7.78 3.72 0.00 1.99 1.78 0.00 1.52 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.36 7.81 16 V 7.19 3.47 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 0.94 0.00 0.00 17 R 7.94 3.87 0.00 2.19 2.15 0.00 3.47 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.91 0.00 18 L 8.01 3.63 0.00 1.01 1.42 0.55 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.63 3.87 1.29 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 0.00 0.00 0.00 20 L 7.86 3.85 0.00 1.70 1.73 -0.03 0.60 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 21 A 7.91 3.91 1.20 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 0.00 0.00 22 L 7.94 3.92 0.00 1.52 1.69 0.85 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 23 L 8.01 4.13 0.00 1.61 1.71 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.70 4.28 0.00 2.79 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 25 A 8.18 4.67 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 26 P 0.00 4.58 0.00 2.22 2.10 0.00 3.84 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 27 Y 7.93 5.09 0.00 3.27 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 28 R 9.27 4.43 0.00 1.91 1.87 0.00 3.06 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 29 A 8.46 5.23 1.28 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 0.00 0.00 30 V 8.57 4.21 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 1.11 0.00 0.00 0.67 0.00 0.00 31 E 8.89 4.61 0.00 2.01 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 32 V 8.52 4.20 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 0.36 0.00 0.00 1.05 0.00 0.00 33 D 8.55 4.63 0.00 2.89 2.63 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 34 I 7.83 4.49 1.83 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 1.30 1.39 0.86 0.00 0.00 35 L 8.90 3.76 0.00 1.79 1.78 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.24 4.28 0.00 1.79 1.92 0.00 3.33 0.00 0.00 3.32 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 37 G 8.54 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.37 3.95 0.00 1.99 1.91 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 2.32 2.21 0.00 39 S 7.70 3.75 0.00 3.65 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.78 4.39 0.00 2.05 2.00 0.00 3.19 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 41 T 7.59 4.19 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 1.21 0.00 0.00 42 P 0.00 4.35 0.00 2.18 2.14 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 43 D 7.96 4.28 0.00 2.66 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 44 F 8.08 3.89 0.00 3.19 2.95 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 0.00 0.00 0.00 45 L 8.29 4.09 0.00 1.71 1.69 0.96 0.97 0.00 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0.00 3.23 3.08 0.00 5.58 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 7.40 4.29 0.00 1.46 1.46 0.38 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 146 K 7.62 4.14 0.00 1.80 1.85 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.71 7.81 147 T 7.39 4.57 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 1.18 0.00 0.00 148 N 7.26 4.94 0.00 2.40 2.60 0.00 0.00 7.06 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 0.00 149 D 8.50 4.24 0.00 2.44 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 0.00 0.00 0.00 150 Y 7.18 4.78 0.00 2.96 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 0.00 151 F 9.29 3.49 0.00 2.90 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 A 7.55 4.78 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 153 A 9.61 3.72 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 0.00 154 G 8.51 4.11 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 0.00 0.00 0.00 155 Q 7.59 3.99 0.00 1.85 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.19 0.00 156 L 7.28 4.13 0.00 1.29 1.42 1.04 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 157 T 8.89 4.87 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 1.30 0.00 0.00 158 I 8.41 3.72 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.72 0.99 0.00 0.00 159 A 8.08 4.14 1.62 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 0.00 0.00 160 D 8.29 4.95 0.00 3.07 3.29 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 0.00 161 I 7.99 3.77 2.04 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 1.53 0.82 0.84 0.00 0.00 162 A 8.04 4.07 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 163 L 8.04 4.22 0.00 1.89 1.73 -0.17 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 164 Y 8.79 4.39 0.00 3.20 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 0.00 165 G 7.88 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 0.00 166 Y 7.81 4.60 0.00 3.12 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 0.00 167 T 7.88 3.99 4.46 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 1.45 0.00 0.00 168 H 8.60 3.93 0.00 2.02 3.42 0.00 5.81 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 0.00 169 V 7.57 3.56 2.29 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 1.25 0.00 0.00 1.24 0.00 0.00 170 A 8.08 3.91 1.29 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 0.00 0.00 0.00 171 D 7.66 4.34 0.00 2.91 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 0.00 172 Q 8.49 4.40 0.00 1.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.16 0.00 0.00 0.00 0.00 0.00 2.15 2.38 0.00 173 C 7.57 4.90 0.00 3.09 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 0.00 174 D 8.46 4.72 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 0.00 175 F 8.12 3.72 0.00 3.38 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 0.00 176 D 8.58 4.56 0.00 2.60 2.64 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 0.00 177 L 8.38 5.03 0.00 1.96 1.89 1.17 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 178 S 8.20 4.41 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 0.00 179 T 7.60 4.02 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 180 F 8.02 5.18 0.00 3.22 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 0.00 181 P 0.00 4.31 0.00 2.28 2.33 0.00 3.95 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 182 A 8.35 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 V 8.15 3.74 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 1.32 0.00 0.00 0.99 0.00 0.00 184 N 8.53 4.46 0.00 3.04 2.94 0.00 0.00 6.97 7.39 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 0.00 185 A 8.78 4.03 1.34 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 0.00 0.00 186 W 8.46 3.96 0.00 3.22 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.58 3.61 0.00 1.93 1.81 1.13 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 188 R 7.69 4.03 0.00 1.97 1.89 0.00 3.30 0.00 0.00 3.39 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 189 R 7.46 3.77 0.00 1.78 1.90 0.00 2.86 0.00 0.00 2.69 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 190 V 7.14 3.43 1.33 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 0.38 0.00 0.00 0.23 0.00 0.00 191 E 7.31 2.00 0.00 1.75 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 1.47 1.72 0.00 192 Q 7.34 4.25 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 193 T 7.08 3.96 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 1.16 0.00 0.00 194 P 0.00 4.39 0.00 2.00 1.98 0.00 3.62 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 2.00 2.06 0.00 195 G 8.93 3.87 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 0.00 0.00 0.00 196 F 7.80 4.03 0.00 2.90 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 0.00 197 I 6.80 4.31 1.28 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 1.04 0.59 -0.32 0.00 0.00 198 T 8.04 4.72 4.31 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 1.45 0.00 0.00 *200 D 8.90 4.41 0.00 2.84 2.85 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 0.00 201 W 7.99 4.32 0.00 3.29 3.29 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 0.00 202 T 6.89 4.04 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 1.10 0.00 0.00 203 P 0.00 3.80 0.00 1.85 1.95 0.00 3.35 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.99 0.00 * Residues marked with a * may have inaccurate shift predictions.