NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3724 8.3193 115.2820 57.5778 63.5563 173.4799 4 I 3.5909 8.1862 121.1520 59.3155 37.8221 174.2996 5 S 4.5530 9.0272 118.5603 57.3127 65.4351 175.3714 6 E 4.0423 8.5765 120.2929 59.4376 29.5058 179.7371 7 K 4.1858 7.5889 115.7791 57.4839 31.9122 178.2201 *9 V 3.9560 7.8894 118.4599 62.5834 33.2303 177.0186 10 E 3.9710 8.4621 119.7886 59.4144 29.4360 178.6212 11 A 4.0089 8.2671 120.8509 55.2112 18.2986 179.6483 12 L 4.0517 7.8871 117.0585 57.8056 41.7027 179.0656 13 N 4.4035 8.5223 116.8196 56.6393 38.4910 177.6972 14 R 4.0237 8.4091 119.4737 59.1712 30.1075 178.8645 15 Q 4.0358 8.2582 119.4651 58.8652 29.0018 178.1246 16 I 3.8404 8.1174 121.6213 64.2225 37.0348 177.8249 17 N 4.4021 8.3980 117.8046 56.7647 38.7976 176.8689 18 A 4.1555 8.2952 122.1844 55.0587 18.3516 179.5339 19 E 4.0946 8.4052 117.4250 59.4748 29.5861 179.3044 20 I 3.7041 7.9832 119.9006 64.6197 36.8851 177.6412 21 Y 4.0562 8.4195 120.5854 60.8656 38.5712 178.2534 22 S 3.7706 8.5885 116.0776 61.5921 62.9500 176.5725 23 A 4.2394 8.1419 123.1524 55.6578 18.1449 179.1428 24 Y 4.3439 8.2783 118.1079 60.5324 38.5648 177.7569 25 L 3.6776 7.7287 121.0476 58.3350 42.2010 178.3620 26 Y 4.5506 7.2541 115.3059 60.9551 38.1835 177.8254 27 L 3.9551 8.2847 121.5972 57.8002 41.6028 179.8571 28 S 4.3668 7.9753 112.4874 58.2531 62.3049 175.7201 *30 A 4.5109 8.0243 124.4939 51.9130 20.5806 179.9055 31 S 4.0942 8.0802 109.4826 61.5015 62.2770 175.4901 32 Y 4.1643 8.2348 122.2923 61.0726 38.4646 178.2411 33 F 4.0825 8.1233 117.8880 60.6193 38.8999 177.2323 34 D 4.4028 8.4493 118.8123 57.4624 40.4755 179.0603 35 S 4.1859 8.1553 113.4617 60.2524 62.8894 175.4758 36 I 4.3307 6.8402 115.2330 60.0404 37.6881 175.5956 37 G 3.8753 8.1735 107.2374 47.2388 0.0000 175.2148 38 L 4.7659 7.8328 120.9064 52.5312 41.1528 177.5182 39 K 4.1832 8.0995 121.9343 58.7798 32.4081 178.9998 40 G 4.0657 8.6396 108.0109 47.4713 0.0000 175.9348 41 F 3.7496 8.4099 118.9253 59.8190 38.8437 177.3553 42 S 4.4044 8.0809 112.2433 61.4349 62.5452 175.0781 43 N 4.4918 8.5962 120.1673 56.6053 38.5635 177.1160 44 W 4.2961 8.1179 125.9881 58.4184 30.7069 177.4621 *46 R 4.4221 7.9342 118.2365 55.8690 31.7967 177.9478 47 V 3.5457 7.9936 117.0609 66.1572 31.3012 177.9386 48 Q 3.6607 7.9166 119.1811 58.6483 28.8058 177.8548 49 W 4.3821 8.3105 129.1267 60.6673 30.5785 177.8486 50 Q 3.5538 7.9065 117.0176 58.6997 28.1746 178.0055 51 E 3.9939 7.9733 119.6236 59.2584 29.8764 178.4415 52 E 4.0678 8.4306 118.8898 58.9165 29.3009 179.7446 53 L 4.2061 7.2974 118.0420 54.9406 41.6941 178.1877 *55 H 4.9634 8.1775 116.8517 56.2062 30.5107 176.0810 56 A 4.1719 8.1067 117.7449 52.9881 17.5532 177.6744 *58 K 4.1184 8.0377 118.0993 57.8088 33.8037 177.0399 *60 F 4.6746 8.0073 120.6066 58.0570 41.0427 176.8399 61 D 4.5361 8.2783 119.8140 57.2273 40.5233 178.3853 62 F 3.9243 8.2023 121.3321 60.9440 39.2023 177.3977 63 V 3.2636 7.5689 117.7083 65.9539 31.3359 178.0716 64 S 4.5088 7.3458 113.8744 60.6141 62.6781 175.7766 65 E 3.7698 7.8420 122.2990 59.2290 29.4025 178.6248 66 R 3.8542 7.3282 115.7834 57.0493 30.1824 177.5517 67 G 3.7991 8.1123 107.9833 44.8234 0.0000 173.9166 68 G 3.7664 7.6529 109.4180 44.4465 0.0000 172.5689 69 R 4.5813 7.9516 118.9082 53.8530 31.8010 175.2424 70 V 3.9671 7.9847 124.9990 61.8214 32.1283 174.6364 71 K 4.3245 8.3489 127.9490 54.3741 33.7419 174.8954 72 L 4.4405 8.1685 126.1707 53.6940 42.8820 175.6451 73 Y 4.7819 8.2091 119.9311 55.4997 40.5879 175.2850 74 A 4.0185 8.5820 123.9856 52.6766 18.8641 177.4587 75 V 4.2780 8.1144 121.5857 60.8577 32.0678 175.6598 76 E 4.1502 8.8063 127.3111 56.1186 29.9408 176.7340 77 E 4.1695 8.8177 123.7208 55.7651 30.0301 175.0733 78 P 4.9414 0.0000 0.0000 60.5988 32.4934 174.1513 79 P 4.3064 0.0000 0.0000 63.0616 31.4829 176.2273 80 S 4.6553 7.9061 111.1125 56.7820 64.6020 173.7087 81 E 4.4560 6.8450 119.2322 54.1465 31.7569 174.8775 82 W 4.6687 7.1447 119.3521 54.6164 33.1263 176.3539 83 D 4.5686 8.8145 120.7197 57.3373 40.7351 177.1109 84 S 4.7274 7.5908 109.0922 55.8648 67.2098 174.5117 85 P 4.5720 0.0000 0.0000 65.9593 30.9679 178.7201 86 L 4.0589 8.0068 118.1715 58.1942 42.1633 178.5891 87 A 4.1129 8.3099 120.5723 55.1427 18.2372 179.3492 88 A 3.2273 8.2607 119.2445 55.3634 18.4243 179.9325 89 F 3.8384 8.4818 115.8900 60.1283 38.9874 178.0045 90 E 4.1601 8.8659 119.1887 59.6228 29.1561 178.7573 91 H 4.3273 8.4848 118.3932 59.2075 29.8830 177.1850 92 V 3.7509 8.0733 120.5845 66.4955 31.2698 177.4505 93 Y 4.1704 8.2030 118.9077 60.8891 38.6992 177.7017 94 E 3.8964 8.5127 119.6153 59.4337 29.4853 178.8344 95 H 4.2270 8.7525 118.7717 59.4692 29.9619 177.2923 96 E 4.0976 8.6094 120.6701 59.2867 29.3386 179.5029 97 V 3.4088 7.6411 118.4396 65.9558 31.5628 177.6800 98 N 4.3369 8.2812 116.7957 56.3853 38.7102 177.0617 99 V 3.6230 8.1032 120.4137 66.2161 31.4876 178.1583 100 T 3.8725 8.1266 115.7028 66.2814 68.1506 176.5110 101 K 3.8725 7.9105 121.3792 59.5623 32.1459 179.0841 102 R 3.9111 8.0126 118.2229 59.2992 29.9852 178.9467 103 I 3.7047 8.1468 119.9793 64.9811 37.0726 178.2338 104 H 4.2264 8.6774 117.1832 58.8804 28.2528 177.7530 105 E 4.0177 8.3417 119.9063 59.3508 29.3443 178.9599 106 L 4.1709 7.9746 118.4660 57.8519 41.7517 179.4818 107 V 3.9094 7.7263 117.2274 65.8679 31.5043 178.5613 108 E 4.1381 8.2062 114.1615 56.9971 29.3990 177.2612 *110 A 4.2299 7.7773 120.2455 52.3196 20.1569 179.2915 *112 Q 4.2761 8.1120 119.4092 57.3047 30.5024 176.2211 113 E 4.2565 8.2052 113.7351 55.5607 29.8619 176.0061 114 K 3.4486 7.7956 116.6350 57.2319 30.0977 176.4191 115 D 4.5325 7.6831 118.5937 52.8932 38.2934 175.4891 116 F 4.6320 7.7285 122.5193 60.1851 39.4323 176.5565 117 A 4.2111 8.2488 119.8695 55.8128 18.2035 179.7345 118 T 4.1520 8.3990 113.9460 66.8325 68.3196 176.1886 119 Y 4.1620 8.1933 120.5883 60.9482 39.2566 177.4940 120 N 4.4146 8.9292 118.1408 56.7890 38.6150 176.4566 121 F 4.0324 8.2872 121.9197 61.2939 39.3842 177.0380 122 L 4.0058 8.2366 118.3738 57.2144 41.3516 179.1571 123 Q 3.8694 7.6949 118.1279 58.6563 28.4916 178.5569 124 W 3.8836 7.7333 128.6844 60.7203 30.5708 177.6279 125 Y 3.7941 7.8853 116.1095 60.4778 37.2396 177.8311 126 V 3.5771 7.6847 118.3428 66.0522 31.6120 177.6781 127 A 3.9626 7.8300 120.3200 55.0888 18.1143 179.1984 128 E 3.4053 7.6416 117.8432 59.3299 29.4375 179.1035 129 Q 3.9687 8.1340 118.0487 58.3996 28.7851 178.6907 130 V 3.5677 7.3662 119.4173 66.0818 31.5079 177.9925 131 E 3.9509 7.9603 117.6491 59.3142 29.5401 178.6203 132 E 4.0457 8.2950 118.8637 59.8731 29.5505 179.5387 133 E 4.1512 8.5316 118.0978 59.4107 29.4736 179.3549 134 A 4.0551 8.0086 120.3692 55.3189 18.3352 179.9479 135 S 4.1275 8.4798 113.5889 61.5832 62.9300 176.7643 136 A 4.2406 8.1806 123.2021 55.3273 18.1681 179.5179 137 L 3.7175 8.3885 119.0748 58.2046 42.0942 178.8587 138 D 4.2786 8.3561 119.1830 57.4131 40.6472 178.8624 139 I 3.4206 7.3491 120.4710 63.8638 36.8336 178.4816 140 V 3.5680 7.7522 119.2085 66.3019 31.3458 178.0490 141 E 3.9127 8.2986 118.2910 59.2623 29.1593 179.5897 142 K 3.9674 8.0653 118.6700 59.3729 32.0728 179.4432 143 L 4.0139 8.2114 119.6640 57.7144 41.2522 179.8339 144 R 3.9211 8.0046 117.6149 59.1560 30.1028 178.5173 145 L 4.0829 7.8534 119.1323 58.1180 42.3198 178.8052 146 I 3.8829 8.2124 120.2890 61.5257 37.2198 177.9832 147 G 3.7568 8.5199 106.7759 47.2243 0.0000 174.0199 148 E 4.4052 8.8500 123.1811 55.6989 29.7465 175.4850 149 D 4.4416 8.0246 120.1313 54.2271 41.6364 176.7594 150 K 4.1233 8.5768 128.0477 59.1814 32.2837 179.5751 151 R 3.9818 8.1005 118.0411 59.1483 30.0658 178.6457 152 A 4.1694 8.8822 120.9391 54.6298 18.2740 179.4312 153 L 4.0216 7.9095 119.4068 58.4067 42.1638 179.1319 154 L 4.0992 8.2322 118.7606 57.0857 41.5687 179.1463 155 F 3.8689 8.2790 121.1585 61.1271 39.2790 176.7640 156 L 3.8543 8.1072 119.9508 58.1829 41.8892 178.1835 157 D 4.2058 8.4757 118.1474 57.5095 40.6919 178.5963 158 K 3.8802 7.8899 118.6979 59.3391 32.0213 179.1163 159 E 3.8049 7.7053 118.7476 59.5118 29.4306 179.5853 160 L 4.0473 7.9523 119.1909 57.2917 41.3559 179.3275 161 S 4.2847 7.4170 111.8965 60.3251 63.0204 175.4810 162 L 4.2631 7.3905 121.2598 54.3592 42.0092 176.8510 163 R 3.9701 7.4299 120.7065 56.3147 30.6243 176.2370 164 Q 4.2298 8.5102 122.7829 56.0744 29.1327 175.3557 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 S 8.32 4.37 0.00 3.81 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 4 I 8.19 3.59 1.82 0.00 0.00 0.76 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 0.49 0.95 0.00 0.00 5 S 9.03 4.55 0.00 3.99 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 6 E 8.58 4.04 0.00 2.01 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 2.38 2.23 0.00 7 K 7.59 4.19 0.00 1.61 1.77 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.39 7.81 *9 V 7.89 3.96 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 0.95 0.00 0.00 0.89 0.00 0.00 10 E 8.46 3.97 0.00 2.17 2.10 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 2.33 2.41 0.00 11 A 8.27 4.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.89 4.05 0.00 1.86 1.79 1.05 0.83 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 13 N 8.52 4.40 0.00 3.07 3.05 0.00 0.00 7.01 8.48 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 14 R 8.41 4.02 0.00 1.95 1.95 0.00 3.02 0.00 0.00 2.73 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.71 0.00 15 Q 8.26 4.04 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 16 I 8.12 3.84 2.17 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 1.57 0.75 1.08 0.00 0.00 17 N 8.40 4.40 0.00 3.07 3.04 0.00 0.00 7.10 8.55 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 18 A 8.30 4.16 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.41 4.09 0.00 2.24 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 2.68 2.66 0.00 20 I 7.98 3.70 1.94 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 1.38 0.79 0.90 0.00 0.00 21 Y 8.42 4.06 0.00 3.20 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 22 S 8.59 3.77 0.00 4.14 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 23 A 8.14 4.24 1.52 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 0.00 0.00 24 Y 8.28 4.34 0.00 3.13 2.91 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 25 L 7.73 3.68 0.00 0.96 1.10 1.01 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.25 4.55 0.00 3.30 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 27 L 8.28 3.96 0.00 1.14 1.47 0.17 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.98 4.37 0.00 3.87 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 *30 A 8.02 4.51 1.44 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 0.00 0.00 31 S 8.08 4.09 0.00 3.92 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 32 Y 8.23 4.16 0.00 3.31 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 33 F 8.12 4.08 0.00 3.25 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 34 D 8.45 4.40 0.00 2.92 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 35 S 8.16 4.19 0.00 4.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 6.84 4.33 1.73 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 1.09 0.61 0.65 0.00 0.00 37 G 8.17 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 38 L 7.83 4.77 0.00 1.75 1.74 0.52 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.10 4.18 0.00 1.79 1.89 0.00 1.70 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.55 1.47 7.81 40 G 8.64 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 0.00 0.00 0.00 41 F 8.41 3.75 0.00 2.51 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 42 S 8.08 4.40 0.00 4.13 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 43 N 8.60 4.49 0.00 2.77 3.04 0.00 0.00 6.91 7.86 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 44 W 8.12 4.30 0.00 3.28 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 *46 R 7.93 4.42 0.00 2.14 2.13 0.00 3.25 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.62 0.00 47 V 7.99 3.55 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 0.79 0.00 0.00 0.88 0.00 0.00 48 Q 7.92 3.66 0.00 1.46 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 1.50 2.21 0.00 49 W 8.31 4.38 0.00 3.77 3.05 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 50 Q 7.91 3.55 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.61 0.00 51 E 7.97 3.99 0.00 1.85 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.29 0.00 52 E 8.43 4.07 0.00 2.09 2.24 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 2.78 2.85 0.00 53 L 7.30 4.21 0.00 1.54 1.41 0.58 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 *55 H 8.18 4.96 0.00 3.57 3.76 0.00 5.73 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 56 A 8.11 4.17 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *58 K 8.04 4.12 0.00 1.67 1.98 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.62 1.34 7.81 *60 F 8.01 4.67 0.00 3.29 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 61 D 8.28 4.54 0.00 2.86 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.20 3.92 0.00 2.41 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 63 V 7.57 3.26 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 0.87 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.08 0.00 0.00 141 E 8.30 3.91 0.00 2.10 1.93 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 2.26 2.36 0.00 142 K 8.07 3.97 0.00 1.82 1.79 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.53 7.81 143 L 8.21 4.01 0.00 1.88 1.75 0.98 1.14 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 0.00 144 R 8.00 3.92 0.00 1.91 1.98 0.00 3.13 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 145 L 7.85 4.08 0.00 1.71 1.87 0.89 0.94 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 0.00 146 I 8.21 3.88 2.13 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.41 0.97 0.00 0.00 147 G 8.52 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.85 4.41 0.00 1.96 1.97 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 2.23 2.21 0.00 149 D 8.02 4.44 0.00 2.76 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 0.00 150 K 8.58 4.12 0.00 1.85 1.85 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.72 7.81 151 R 8.10 3.98 0.00 2.01 2.01 0.00 3.13 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 152 A 8.88 4.17 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 0.00 153 L 7.91 4.02 0.00 1.82 1.92 0.87 0.62 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 0.00 154 L 8.23 4.10 0.00 1.93 1.74 0.94 0.76 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 0.00 155 F 8.28 3.87 0.00 3.21 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 L 8.11 3.85 0.00 1.90 1.96 0.72 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.48 4.21 0.00 3.16 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 K 7.89 3.88 0.00 1.67 1.65 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.61 7.81 159 E 7.71 3.80 0.00 1.92 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 1.87 2.38 0.00 160 L 7.95 4.05 0.00 1.46 1.64 0.56 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 161 S 7.42 4.28 0.00 4.04 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 0.00 162 L 7.39 4.26 0.00 1.75 1.71 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 163 R 7.43 3.97 0.00 1.81 1.79 0.00 2.62 0.00 0.00 2.66 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 164 Q 8.51 4.23 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.42 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.