NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5159 8.2233 120.1889 54.6658 42.3328 175.1561 4 D 4.6133 8.9268 118.2939 52.4895 38.5143 172.3663 5 S 3.3000 6.5170 110.4840 57.4718 66.4543 175.7357 6 C 4.3518 8.1340 123.1006 55.9011 42.5873 172.3576 7 Q 4.5538 8.2273 126.0157 53.8256 30.4793 175.6665 8 I 4.1864 5.9192 122.4672 58.6811 40.6996 175.5440 9 G 3.8878 8.5034 113.6212 45.7360 0.0000 172.4845 10 T 4.5412 7.7726 115.1227 61.8880 69.4519 172.7279 11 S 4.6572 8.7364 121.3836 58.1001 63.7234 173.7189 12 F 4.7959 8.2775 122.2511 58.6304 40.6242 173.8136 13 T 4.3536 6.9204 112.3872 62.1719 70.6021 173.1328 14 G 3.7937 9.5815 108.3558 45.8545 0.0000 173.6946 15 L 4.3246 7.8657 121.4826 55.2391 42.5046 175.6921 16 D 5.0498 9.1279 123.9913 53.0204 44.7273 175.5898 *18 T 4.0525 8.2550 115.1347 63.4856 70.1043 176.0718 19 K 4.1610 8.5069 118.6075 57.4288 32.1565 176.7161 20 Y 4.5517 7.6928 118.8914 57.1919 39.1578 175.4155 21 V 3.7230 7.0668 118.6122 64.8337 32.1188 174.1592 22 G 3.5708 8.6259 108.7777 44.1631 0.0000 172.0043 23 T 4.6218 8.1598 116.3017 61.5873 70.9798 173.4981 24 W 4.7164 8.9815 127.8483 54.9978 31.4783 175.0466 25 Y 4.8569 9.4704 124.5856 57.2953 39.1256 174.7219 26 E 4.7582 9.4612 126.2682 56.0921 29.3110 175.7894 27 L 4.2961 9.0301 128.5663 56.3191 43.4888 176.9489 28 F 5.4275 8.2392 115.5107 56.2573 43.7496 173.7667 29 R 5.1902 8.6415 115.7687 55.4114 32.5579 174.7704 30 T 4.1041 8.2326 118.3918 62.7168 68.8856 173.1425 31 P 4.3579 0.0000 0.0000 63.0465 32.0061 175.2238 32 N 4.6743 8.1793 117.2146 51.6738 39.4663 173.7806 33 S 4.6532 8.4238 113.1543 60.2795 62.8737 173.3662 34 D 4.6665 8.2803 128.7574 53.8557 37.9902 175.3511 35 E 5.1315 8.3677 133.8176 56.5126 30.1434 177.4578 36 E 4.0010 8.5886 120.3976 60.4838 29.3285 178.7245 37 D 4.0295 7.1874 116.7976 56.4796 41.1994 176.1706 38 F 4.3168 6.0517 117.3932 57.7784 38.8436 174.9112 39 T 4.6706 8.4560 116.8816 62.6212 72.5653 174.2640 40 N 4.7266 8.0317 116.3089 52.9581 40.2196 175.2673 41 C 5.3384 7.8076 115.3959 56.0616 45.0536 172.3880 42 E 4.9840 10.5166 129.8342 55.7892 32.1391 173.1630 43 Y 5.4346 8.3807 124.9519 55.6947 42.2945 173.5086 44 D 5.4732 9.2752 120.1523 52.4446 44.4616 174.9578 45 K 4.9816 9.0831 124.0909 54.8459 35.0491 174.0271 46 Y 5.1647 9.9262 125.9678 56.6809 39.9590 174.8909 47 T 4.8340 9.3284 120.5516 61.6353 72.7631 172.7440 48 L 4.8633 8.5702 128.2643 53.6206 42.8123 175.9140 49 D 4.7046 9.0860 127.4464 53.8474 41.5361 177.4833 50 E 4.2116 8.6251 119.2854 58.2304 29.6604 177.4424 51 N 4.7475 8.1950 115.7607 52.4443 37.5504 176.1575 52 G 4.0530 7.9421 108.9789 45.9136 0.0000 174.8434 53 V 3.8123 7.3653 120.3378 63.1893 32.8193 174.8800 54 I 4.7300 8.5810 128.5412 60.4271 38.8537 174.2074 55 Q 5.1279 10.1225 129.5095 54.2694 31.6797 174.4377 56 V 4.5832 9.6223 125.4288 60.0384 34.6838 174.3278 57 T 4.9296 8.8814 121.3749 61.7169 71.4222 172.8186 58 S 4.7349 9.3525 123.0531 56.9181 64.2610 172.8074 59 V 4.5729 8.3031 126.6104 60.8397 34.2356 174.0381 60 A 4.8129 8.6482 129.0305 50.3249 22.3852 174.2606 61 Y 4.0795 8.9028 125.0174 56.5002 38.6816 175.3265 62 T 4.0804 7.7532 122.9812 63.5439 69.6722 175.6568 63 N 4.1087 8.2738 120.7242 55.2770 40.0128 176.7937 64 S 4.3737 7.5971 112.3769 56.3247 62.0405 174.3408 65 I 4.7491 8.0860 130.3999 63.1210 39.7535 173.5383 66 R 4.0992 7.0164 115.5769 57.0251 28.5661 174.4268 67 G 4.4072 7.1864 105.6343 46.2149 0.0000 171.4979 68 F 5.2777 9.1177 117.3182 55.8100 42.7120 174.6846 69 I 4.3894 9.1249 124.4271 60.3136 38.8859 174.7800 70 T 4.9047 8.5520 123.2402 61.8186 70.9337 173.3255 71 S 4.8085 9.2084 121.2520 56.7339 66.0804 172.7417 72 T 5.1364 8.2287 120.5595 62.2218 72.0065 172.8663 73 G 4.2581 9.0387 109.1409 46.0869 0.0000 172.2767 74 T 4.8393 8.3046 110.5137 59.8020 72.0689 174.0424 75 V 5.2733 8.6943 124.1383 58.8535 30.6607 173.9752 76 P 4.4351 0.0000 0.0000 65.3928 31.8006 176.2964 77 S 4.5439 7.2412 112.5940 57.4460 65.2956 173.4038 78 W 4.7138 7.9084 113.1424 56.5954 29.6694 174.7981 79 T 4.4632 8.0213 121.5756 62.6931 70.3488 174.6970 80 E 4.1996 8.8440 121.6630 60.1329 29.9322 178.8945 81 D 5.2326 7.4892 115.6810 51.5645 39.7384 174.9610 82 T 4.9020 7.9615 114.5847 63.3388 73.5475 173.3968 83 F 5.3904 8.9023 119.0978 55.6029 41.9360 173.1572 84 D 5.5162 8.9508 120.0459 52.8663 43.9591 175.1888 85 I 5.1235 8.6005 120.5678 59.5762 40.7302 174.5566 86 A 4.1989 9.0982 127.3233 50.9584 22.2389 176.1145 87 Y 3.9878 7.4876 115.5520 59.2649 35.1615 174.5129 *94 S 4.3882 7.4907 117.3279 56.9160 65.5381 173.4874 95 S 4.7757 7.9811 114.4393 57.0709 65.7144 172.5650 96 T 4.8764 8.0154 118.0735 61.9801 70.7971 173.1704 97 Y 4.6644 8.1349 122.4619 55.8271 41.7442 174.8193 98 F 4.7749 9.2870 124.5194 57.6637 40.8075 178.3433 *100 V 4.0349 8.0245 122.0631 63.3433 33.6211 176.5753 101 G 3.9241 7.3435 105.4977 45.9795 0.0000 172.4846 102 T 3.8916 7.7073 117.6217 60.5879 70.2303 172.4721 103 D 4.9494 7.1505 122.3797 52.5663 39.7223 175.8645 104 Y 3.9032 7.6541 114.1094 59.3306 36.8127 170.9739 105 Q 4.7295 8.7193 115.9624 54.2375 31.4854 173.5855 106 T 4.4920 7.9891 122.7665 62.5667 70.1865 171.5807 107 Y 5.5408 7.5018 117.5844 56.0671 42.3395 174.5977 108 S 4.0431 9.0420 114.7056 57.8631 65.1033 172.8415 109 I 4.8163 9.1081 129.7473 59.7059 38.9410 174.5846 110 V 4.8837 8.4182 129.5758 61.6730 34.6457 174.1235 111 A 4.8884 8.7624 123.9672 51.4921 22.7863 176.1096 112 G 3.9355 8.5072 106.9121 46.1436 0.0000 170.9109 113 C 5.7274 8.8424 117.8905 55.0411 40.5411 172.9801 114 L 4.9479 7.7951 119.1641 54.2842 45.2947 175.8853 115 D 4.5373 8.4393 123.0222 56.1487 38.5467 174.9510 116 N 4.2331 8.5829 125.2081 53.9705 38.7755 175.2310 117 D 4.5010 7.2616 120.6996 53.4433 39.3805 176.0609 118 Y 4.4782 7.4238 119.1386 59.4940 38.8022 177.3264 119 S 4.1331 8.1681 114.3560 60.5391 62.6970 173.7634 120 R 4.3567 7.4908 120.6215 55.2292 29.9661 175.1159 121 H 4.9021 8.5705 122.7165 55.1735 30.5749 174.8627 122 L 4.5456 8.4707 120.7885 53.0706 45.1850 175.0883 123 Y 4.6937 8.5229 121.0340 55.8760 41.0648 174.8332 124 W 5.2961 9.1912 122.5922 55.1587 32.8182 174.2524 125 I 4.9749 9.1107 126.2122 59.9799 38.7918 174.9694 126 A 5.5983 9.1027 127.5616 50.8156 23.0561 174.2044 127 S 5.2958 9.2678 112.2454 58.2340 65.9769 175.0823 128 H 3.8248 8.6628 119.4510 57.1992 28.9689 175.9877 129 E 4.5009 7.9959 118.2763 55.9862 30.9617 176.7258 130 T 4.4523 7.9066 109.9817 61.1156 69.0378 173.6067 131 S 4.4225 7.3601 113.4463 58.4535 64.7521 175.5376 132 F 5.2458 8.6797 120.6944 56.2633 40.3916 175.6250 133 D 4.8398 8.5985 123.6401 52.4394 40.6325 176.9655 134 D 4.4109 8.9231 120.7025 58.0787 40.7971 178.9319 135 A 4.0410 8.0577 120.8323 55.5033 18.3387 179.0525 136 T 3.5932 9.2334 113.0897 66.8819 68.6718 177.0005 137 K 3.7896 7.7761 119.5741 59.3753 32.2031 178.4732 138 A 3.8542 7.6076 121.0600 55.2104 18.2855 179.5455 139 K 3.6615 7.9921 117.9918 59.6684 32.1663 179.0240 140 V 3.4803 7.3228 117.8220 65.9956 31.1861 177.2829 141 N 4.3492 8.0100 115.7306 55.2756 38.3146 177.0865 142 E 3.8483 7.8162 120.4857 59.1318 29.7773 178.7821 143 V 3.8040 7.9556 117.5573 66.0724 32.0341 177.8031 144 L 4.2235 8.4283 118.8326 57.7786 41.1963 178.8458 145 A 3.7936 8.1565 120.4712 54.9650 18.0845 177.7704 146 P 3.3396 0.0000 0.0000 65.0444 31.6482 176.8124 147 Y 4.3904 7.7330 113.9026 57.0909 38.8499 174.6823 148 N 4.1996 9.0441 116.7178 54.1487 35.5688 173.5948 149 L 4.7906 7.3260 115.2289 53.3674 46.4302 176.2329 150 S 4.5493 7.9643 112.8964 56.5772 65.2992 174.7110 151 L 3.6628 8.6044 126.6913 57.4879 41.7580 177.3582 152 D 4.9499 7.5705 115.9169 53.2264 39.4508 175.9746 153 D 4.6487 8.0679 117.4943 54.6374 41.5674 175.1664 *155 E 4.2632 8.0641 118.4287 54.6775 30.7117 173.1660 156 P 4.4402 0.0000 0.0000 62.6678 32.5446 175.8302 157 V 4.3641 7.9692 121.3045 61.2463 33.7827 174.9278 158 D 4.5711 8.3372 127.3816 54.2292 41.9485 176.6779 159 Q 4.6299 8.5575 120.4723 54.4451 29.8952 174.3898 160 S 4.4833 9.6829 116.9397 60.0682 65.0502 176.6962 161 Y 4.2786 8.5782 115.7988 58.6325 37.5474 179.0662 162 C 4.7228 9.2779 121.7057 59.9813 40.4389 176.3394 163 V 3.7137 7.8109 117.6767 63.8585 31.5942 177.3403 164 Q 4.0728 7.7781 118.9079 58.7357 28.8182 175.7419 165 Y 3.1426 7.3420 121.3770 57.4919 38.5527 175.8217 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 3 D 8.22 4.52 0.00 2.81 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 4 D 8.93 4.61 0.00 2.93 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 5 S 6.52 3.30 0.00 3.69 3.54 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 6 C 8.13 4.35 0.00 3.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.23 4.55 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.47 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 8 I 5.92 4.19 0.67 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 -0.15 0.43 0.00 0.00 9 G 8.50 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 10 T 7.77 4.54 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 1.58 0.00 0.00 11 S 8.74 4.66 0.00 4.05 3.99 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 12 F 8.28 4.80 0.00 3.16 3.07 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 13 T 6.92 4.35 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 14 G 9.58 3.79 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 0.00 0.00 0.00 15 L 7.87 4.32 0.00 2.02 2.01 0.85 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 16 D 9.13 5.05 0.00 2.81 2.31 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 *18 T 8.25 4.05 4.35 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 1.27 0.00 0.00 19 K 8.51 4.16 0.00 1.10 1.22 0.00 1.06 0.00 0.00 1.03 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.34 7.81 20 Y 7.69 4.55 0.00 2.68 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 21 V 7.07 3.72 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 0.83 0.00 0.00 0.98 0.00 0.00 22 G 8.63 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 0.00 0.00 0.00 23 T 8.16 4.62 3.78 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 0.20 0.00 0.00 24 W 8.98 4.72 0.00 3.21 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 9.47 4.86 0.00 2.96 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 9.46 4.76 0.00 2.08 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 0.00 2.50 2.56 0.00 27 L 9.03 4.30 0.00 1.71 1.35 0.30 0.88 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 28 F 8.24 5.43 0.00 3.10 3.02 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 29 R 8.64 5.19 0.00 1.99 2.30 0.00 3.19 0.00 0.00 3.64 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.70 0.00 30 T 8.23 4.10 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 1.22 0.00 0.00 31 P 0.00 4.36 0.00 2.04 2.00 0.00 3.71 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 2.04 2.11 0.00 32 N 8.18 4.67 0.00 2.81 2.75 0.00 0.00 6.13 7.64 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 33 S 8.42 4.65 0.00 4.00 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 34 D 8.28 4.67 0.00 2.85 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.37 5.13 0.00 2.27 2.40 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 2.28 2.41 0.00 36 E 8.59 4.00 0.00 2.00 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 2.26 2.46 0.00 37 D 7.19 4.03 0.00 1.92 2.34 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 F 6.05 4.32 0.00 3.03 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 39 T 8.46 4.67 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 1.19 0.00 0.00 40 N 8.03 4.73 0.00 2.16 1.89 0.00 0.00 6.64 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 41 C 7.81 5.34 0.00 3.12 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 42 E 10.52 4.98 0.00 1.92 1.82 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 0.00 2.13 2.14 0.00 43 Y 8.38 5.43 0.00 3.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 9.28 5.47 0.00 2.73 2.45 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 45 K 9.08 4.98 0.00 1.63 1.61 0.00 1.51 0.00 0.00 1.48 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.45 7.81 46 Y 9.93 5.16 0.00 2.97 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 9.33 4.83 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 1.27 0.00 0.00 48 L 8.57 4.86 0.00 1.68 1.63 1.00 1.29 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 49 D 9.09 4.70 0.00 2.93 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.63 4.21 0.00 1.97 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 2.33 2.31 0.00 51 N 8.19 4.75 0.00 2.84 2.91 0.00 0.00 6.18 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.94 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.37 3.81 2.28 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 1.08 0.00 0.00 0.99 0.00 0.00 54 I 8.58 4.73 2.02 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 1.34 0.67 1.06 0.00 0.00 55 Q 10.12 5.13 0.00 2.22 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 56 V 9.62 4.58 1.64 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 0.67 0.00 0.00 -0.29 0.00 0.00 57 T 8.88 4.93 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 1.23 0.00 0.00 58 S 9.35 4.73 0.00 3.81 3.58 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 59 V 8.30 4.57 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 0.02 0.00 0.00 0.50 0.00 0.00 60 A 8.65 4.81 0.42 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 61 Y 8.90 4.08 0.00 2.24 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.75 4.08 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 1.15 0.00 0.00 63 N 8.27 4.11 0.00 2.59 2.72 0.00 0.00 6.66 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 64 S 7.60 4.37 0.00 3.92 3.84 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 0.00 0.00 0.00 65 I 8.09 4.75 1.82 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 1.48 0.58 0.92 0.00 0.00 66 R 7.02 4.10 0.00 2.28 2.44 0.00 3.25 0.00 0.00 3.11 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 67 G 7.19 4.41 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.19 0.00 0.00 1.19 0.00 0.00 76 P 0.00 4.44 0.00 2.22 2.24 0.00 3.99 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 2.02 1.89 0.00 77 S 7.24 4.54 0.00 3.96 3.99 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 78 W 7.91 4.71 0.00 3.53 3.24 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 79 T 8.02 4.46 4.28 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 1.23 0.00 0.00 80 E 8.84 4.20 0.00 2.08 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 81 D 7.49 5.23 0.00 3.13 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 82 T 7.96 4.90 4.16 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 0.99 0.00 0.00 83 F 8.90 5.39 0.00 2.94 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 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0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.38 0.00 0.00 141 N 8.01 4.35 0.00 2.92 2.77 0.00 0.00 6.58 7.73 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 0.00 142 E 7.82 3.85 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 143 V 7.96 3.80 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 1.05 0.00 0.00 1.04 0.00 0.00 144 L 8.43 4.22 0.00 1.79 1.85 0.74 1.08 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 0.00 145 A 8.16 3.79 1.36 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 0.00 0.00 0.00 146 P 0.00 3.34 0.00 1.27 1.79 0.00 3.70 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 1.93 2.01 0.00 147 Y 7.73 4.39 0.00 2.97 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 0.00 148 N 9.04 4.20 0.00 2.75 2.92 0.00 0.00 6.67 7.73 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 0.00 149 L 7.33 4.79 0.00 1.39 1.32 0.66 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 150 S 7.96 4.55 0.00 3.74 3.58 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 0.00 151 L 8.60 3.66 0.00 1.71 1.49 0.29 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 152 D 7.57 4.95 0.00 2.87 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 0.00 153 D 8.07 4.65 0.00 2.67 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 *155 E 8.06 4.26 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 156 P 0.00 4.44 0.00 1.86 1.81 0.00 3.78 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 1.93 1.96 0.00 157 V 7.97 4.36 2.28 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 0.82 0.00 0.00 0.98 0.00 0.00 158 D 8.34 4.57 0.00 2.56 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 0.00 159 Q 8.56 4.63 0.00 1.66 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.84 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 160 S 9.68 4.48 0.00 3.98 4.07 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 0.00 161 Y 8.58 4.28 0.00 2.70 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 C 9.28 4.72 0.00 3.04 3.36 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 0.00 163 V 7.81 3.71 2.11 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 0.72 0.00 0.00 0.95 0.00 0.00 164 Q 7.78 4.07 0.00 2.63 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.20 0.00 165 Y 7.34 3.14 0.00 2.37 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.