NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.8233 8.4093 118.1223 52.3390 41.1147 173.5787 2 F 4.9393 7.0979 113.3431 55.5456 41.5441 171.3259 3 M 4.7441 10.0656 120.8193 53.7558 36.0716 176.3048 4 L 5.2923 8.4626 119.9675 53.4569 44.8923 175.4666 5 T 4.9678 9.0474 115.3473 60.0391 71.1505 173.6747 6 Q 5.4092 8.8054 122.3321 52.0570 33.2217 173.3886 7 P 4.5139 0.0000 0.0000 61.9631 32.3937 175.6517 8 P 4.6201 0.0000 0.0000 65.7229 32.0288 175.8380 9 S 5.5326 8.0393 112.8630 56.6187 66.8636 173.5235 *11 V 4.1259 8.4683 119.3244 62.1135 32.7141 174.3505 12 S 5.5853 8.0805 115.3309 57.1201 66.2729 172.2625 13 E 4.7446 8.1894 118.8283 55.7488 32.7240 175.0468 14 S 4.7596 8.6727 120.4718 57.0351 64.5628 172.3709 15 P 4.3301 0.0000 0.0000 64.3594 31.4920 177.4227 16 G 3.9074 9.2672 110.6384 45.4415 0.0000 173.7286 17 K 4.4065 7.3847 119.5597 55.9226 34.5373 175.3685 18 T 5.0911 8.2609 117.0312 61.9506 70.8481 174.6353 19 V 4.4758 8.5395 124.6645 60.0948 34.8280 174.4618 20 T 4.8862 8.4171 118.8304 61.7927 71.4571 173.2899 21 I 4.5549 8.5312 126.9849 59.5219 39.4615 175.3018 22 S 5.2628 8.7006 121.5331 57.5617 66.0941 174.1405 23 C 5.0022 9.3301 121.1065 56.1021 45.2654 172.3445 24 T 5.0719 9.1231 124.5473 61.7590 70.4528 173.9074 25 R 4.8272 8.5296 127.9010 55.6924 30.3174 176.6058 26 S 4.5617 8.9741 121.9326 61.0216 63.8397 174.5348 27 S 4.4211 8.1911 112.0324 58.0019 65.1095 174.7693 27A G 3.8432 8.4755 111.1817 44.8570 0.0000 172.7008 28A S 4.5970 7.8871 112.6752 56.7095 63.1948 174.6832 28 I 3.4591 8.7839 127.3804 63.9800 37.8060 177.1166 29 A 4.1384 7.4881 120.6902 52.9200 18.5665 178.4187 30 S 4.2293 7.7843 112.5682 60.8342 63.0934 174.2647 31 N 5.0165 7.3342 114.8163 51.3866 42.5526 173.6573 32 Y 4.7003 8.4895 117.6998 58.2540 39.0892 175.1734 33 V 4.5561 9.3266 122.6587 61.3988 34.1707 174.5342 34 Q 5.1394 8.8225 126.1355 53.8817 32.3745 174.4931 35 W 5.2743 9.0693 121.5605 55.1825 33.0476 174.1619 36 Y 5.3956 9.4287 120.3165 56.3809 41.6096 174.1647 37 Q 4.6353 9.3853 124.1810 54.5365 31.6071 174.1882 38 Q 4.7964 8.8045 126.9472 54.3666 32.0107 174.5566 39 R 4.4999 8.4961 125.7216 54.7795 32.0028 174.6891 40 P 4.3812 0.0000 0.0000 64.3258 31.6282 177.1978 41 G 3.9477 9.1799 111.7964 45.1289 0.0000 172.7271 42 S 4.7631 7.4325 114.6122 56.2687 65.7468 173.7077 43 S 4.4890 8.1657 116.2912 56.7879 64.0032 172.1289 44 P 4.6677 0.0000 0.0000 63.1526 31.8701 176.0088 45 T 4.7726 9.0722 120.9019 61.8682 71.2916 173.8953 46 T 4.3068 8.7738 123.0548 64.0273 68.3808 174.5391 47 V 4.1756 8.6043 119.6409 61.9009 33.9046 176.5358 48 I 5.0451 7.6323 120.3228 59.7655 41.6410 173.8322 49 Y 4.9610 8.5736 123.7392 54.4581 41.9071 174.5765 50 E 3.0530 9.6135 116.9186 57.4908 27.3905 175.5314 51 D 5.0780 9.0925 126.3251 55.2707 40.6296 176.6532 52 N 5.0060 7.6642 110.0909 52.6698 38.8295 173.4314 53 Q 4.1554 8.0564 119.1875 54.9093 29.8329 174.9100 54 R 4.6381 8.1235 121.5857 54.0531 31.7020 174.8759 55 P 4.6364 0.0000 0.0000 62.0914 32.1301 175.6405 56 S 4.3026 8.4034 114.9724 59.9567 62.6023 174.7604 57 G 3.9499 8.9629 115.5798 45.2760 0.0000 173.2825 58 V 3.8730 7.2965 120.0495 61.0825 32.1892 174.1029 59 P 4.5667 0.0000 0.0000 62.5540 31.9007 176.6331 60 D 4.6560 8.5725 118.0045 54.6016 39.7059 177.3626 61 R 3.9694 8.0670 119.9817 58.8430 31.2161 176.0620 62 F 5.0638 8.2015 118.3557 56.0072 40.2083 175.8430 63 S 4.6953 9.1238 117.8441 56.6150 66.6013 173.2351 64 G 4.4920 8.8454 108.1210 44.1762 0.0000 172.1549 65 S 4.9004 8.7357 114.6446 57.1447 67.1372 172.7394 66 I 4.9195 8.2810 120.0446 59.7076 40.5126 175.4265 66A D 4.8357 9.2150 126.1769 51.8150 41.8277 175.9923 67A S 4.2266 8.7099 120.5441 60.5315 63.3505 177.4353 67 S 4.1705 8.1876 115.2652 60.5714 63.2135 174.8625 68 S 4.4508 7.7908 112.7257 57.1167 63.3263 173.1663 69 N 4.1385 7.8095 119.1393 55.1303 37.7943 173.0147 70 S 5.3757 8.0765 108.7912 56.3300 67.3441 172.7200 71 A 5.3925 9.1454 121.7077 50.4696 22.6073 175.4272 72 S 5.2067 9.2223 114.6315 56.7980 67.7502 172.8725 73 L 4.3547 7.6655 125.7954 53.5272 43.6381 174.9759 74 T 4.8185 8.7101 123.2290 61.7312 71.3815 173.2140 75 I 4.3952 8.3846 127.6706 59.5264 39.2309 175.3917 76 S 4.6542 8.5698 122.4639 55.8901 65.3959 173.8787 77 G 3.9053 8.3245 106.2857 45.7342 0.0000 174.3334 78 L 3.9778 7.8091 117.5444 55.2315 42.7264 177.6047 79 K 4.9630 8.9309 122.3881 54.3080 35.3172 177.5559 80 T 3.9077 8.3886 111.3285 64.5283 68.8602 176.1503 81 E 4.1882 8.1257 118.7606 58.4161 29.7655 177.4914 82 D 4.6565 8.1079 119.2093 56.2157 41.1529 176.0340 83 E 4.3639 8.2726 120.2872 56.3361 30.1553 176.0085 84 A 4.2869 8.2315 127.1853 52.2047 22.6626 173.7606 85 D 5.2317 8.1951 118.6596 53.3878 43.0876 175.8389 86 Y 5.2057 8.8510 120.3517 56.4215 41.0496 174.1974 87 Y 5.4973 9.2541 121.7187 56.4093 41.2575 173.0823 88 C 4.4560 8.9802 118.3851 54.8696 44.0614 172.1386 89 Q 4.7259 7.8883 118.9394 55.5096 32.6321 173.2514 90 S 4.4696 8.5731 120.0189 57.5621 66.0747 171.7346 91 Y 5.2012 8.6389 114.8432 56.6470 41.1480 174.9298 92 D 4.9467 9.2669 122.5605 53.5774 40.0907 177.4757 93 S 4.5216 8.5036 119.0507 59.1579 61.6085 170.5529 94 S 3.9117 8.0719 113.2038 58.5849 62.5873 173.7285 95 N 4.6158 7.8962 116.0407 54.3208 39.4151 173.3278 95A H 4.7446 8.1205 116.9829 55.2039 33.0744 173.4175 96 V 4.0502 8.6149 121.5923 62.6613 32.5426 175.3181 97 V 4.2436 8.2305 126.9686 61.0903 34.0155 174.2189 98 F 4.8330 8.7847 126.5469 56.0676 40.4756 176.0204 99 G 4.2844 9.2249 110.6125 45.7625 0.0000 174.1312 100 G 3.8461 8.8224 108.4593 46.5480 0.0000 174.9843 101 G 3.8178 8.5487 106.7816 45.3142 0.0000 173.0115 102 T 4.9100 8.4561 117.0305 60.1957 72.1956 172.9519 103 K 4.7536 9.1230 128.9577 55.4662 33.5652 174.9451 104 L 4.9927 8.8596 130.8177 54.1804 43.8075 174.9865 105 T 4.7057 8.6001 123.5669 61.9887 70.8422 173.8672 106 V 4.3706 8.5306 127.0170 61.1810 32.3578 175.6962 107 L 4.2735 8.7280 128.0438 55.0702 41.0581 177.3066 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 1 N 8.41 4.82 0.00 2.63 2.84 0.00 0.00 6.71 6.56 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 2 F 7.10 4.94 0.00 3.04 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 3 M 10.07 4.74 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 4 L 8.46 5.29 0.00 1.61 1.58 0.97 0.62 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 5 T 9.05 4.97 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 1.27 0.00 0.00 6 Q 8.81 5.41 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.00 0.00 0.00 0.00 0.00 0.00 2.60 2.26 0.00 7 P 0.00 4.51 0.00 2.25 2.21 0.00 3.88 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.99 0.00 8 P 0.00 4.62 0.00 2.24 2.38 0.00 3.45 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 2.09 2.11 0.00 9 S 8.04 5.53 0.00 3.91 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 *11 V 8.47 4.13 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 0.81 0.00 0.00 0.89 0.00 0.00 12 S 8.08 5.59 0.00 3.88 3.82 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 0.00 0.00 0.00 13 E 8.19 4.74 0.00 2.01 1.71 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 2.28 2.26 0.00 14 S 8.67 4.76 0.00 3.78 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.33 0.00 2.02 1.99 0.00 3.70 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 2.09 0.00 16 G 9.27 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 0.00 0.00 0.00 17 K 7.38 4.41 0.00 1.72 1.72 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.53 7.81 18 T 8.26 5.09 4.17 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 1.11 0.00 0.00 19 V 8.54 4.48 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 0.62 0.00 0.00 0.85 0.00 0.00 20 T 8.42 4.89 4.17 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 1.15 0.00 0.00 21 I 8.53 4.55 1.57 0.00 0.00 0.60 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 0.52 1.11 0.00 0.00 22 S 8.70 5.26 0.00 3.98 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 23 C 9.33 5.00 0.00 3.09 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 24 T 9.12 5.07 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 1.24 0.00 0.00 25 R 8.53 4.83 0.00 1.71 1.71 0.00 2.52 0.00 0.00 2.89 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.15 0.00 26 S 8.97 4.56 0.00 3.99 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 27 S 8.19 4.42 0.00 3.98 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 27A G 8.48 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 0.00 0.00 0.00 28A S 7.89 4.60 0.00 3.81 3.65 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 0.00 0.00 0.00 0.00 28 I 8.78 3.46 1.95 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 1.23 1.03 0.93 0.00 0.00 29 A 7.49 4.14 1.22 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 0.00 0.00 30 S 7.78 4.23 0.00 3.89 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 31 N 7.33 5.02 0.00 2.72 2.84 0.00 0.00 7.06 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 32 Y 8.49 4.70 0.00 3.03 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 33 V 9.33 4.56 2.15 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 0.75 0.00 0.00 0.92 0.00 0.00 34 Q 8.82 5.14 0.00 2.01 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.51 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 35 W 9.07 5.27 0.00 3.22 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 36 Y 9.43 5.40 0.00 3.19 3.08 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 0.00 37 Q 9.39 4.64 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.08 1.76 0.00 38 Q 8.80 4.80 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 39 R 8.50 4.50 0.00 1.81 1.82 0.00 3.20 0.00 0.00 3.35 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 40 P 0.00 4.38 0.00 2.04 2.00 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 41 G 9.18 3.95 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 0.00 0.00 0.00 42 S 7.43 4.76 0.00 4.01 3.77 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 43 S 8.17 4.49 0.00 3.93 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 44 P 0.00 4.67 0.00 1.75 1.96 0.00 3.53 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.91 0.00 45 T 9.07 4.77 4.42 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 1.22 0.00 0.00 46 T 8.77 4.31 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 1.23 0.00 0.00 47 V 8.60 4.18 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 1.11 0.00 0.00 48 I 7.63 5.05 2.19 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 1.46 0.86 1.09 0.00 0.00 49 Y 8.57 4.96 0.00 2.99 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 50 E 9.61 3.05 0.00 1.66 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 1.47 1.86 0.00 51 D 9.09 5.08 0.00 2.97 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 52 N 7.66 5.01 0.00 2.73 2.95 0.00 0.00 5.98 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 53 Q 8.06 4.16 0.00 0.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.90 0.00 0.00 0.00 0.00 0.00 1.93 2.05 0.00 54 R 8.12 4.64 0.00 1.79 1.88 0.00 3.52 0.00 0.00 3.56 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 55 P 0.00 4.64 0.00 2.22 2.03 0.00 3.72 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 56 S 8.40 4.30 0.00 3.85 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 57 G 8.96 3.95 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 0.00 0.00 0.00 58 V 7.30 3.87 2.22 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 0.64 0.00 0.00 0.88 0.00 0.00 59 P 0.00 4.57 0.00 2.39 2.25 0.00 3.80 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.12 0.00 60 D 8.57 4.66 0.00 2.80 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 61 R 8.07 3.97 0.00 1.64 1.90 0.00 3.31 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 62 F 8.20 5.06 0.00 2.86 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 63 S 9.12 4.70 0.00 3.78 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 0.00 64 G 8.85 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.74 4.90 0.00 3.89 3.92 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 66 I 8.28 4.92 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.02 0.93 0.00 0.00 66A D 9.22 4.84 0.00 2.74 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 67A S 8.71 4.23 0.00 4.03 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 67 S 8.19 4.17 0.00 4.00 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 68 S 7.79 4.45 0.00 4.14 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 69 N 7.81 4.14 0.00 2.88 2.83 0.00 0.00 6.69 8.02 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 70 S 8.08 5.38 0.00 4.06 4.06 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 71 A 9.15 5.39 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 72 S 9.22 5.21 0.00 3.71 3.62 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 73 L 7.67 4.35 0.00 0.27 0.15 0.74 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.71 4.82 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 1.12 0.00 0.00 75 I 8.38 4.40 1.50 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.25 0.24 0.00 0.00 76 S 8.57 4.65 0.00 3.76 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.32 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 0.00 0.00 0.00 78 L 7.81 3.98 0.00 1.73 1.59 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.93 4.96 0.00 1.79 1.69 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.48 7.81 80 T 8.39 3.91 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 1.22 0.00 0.00 81 E 8.13 4.19 0.00 2.15 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 2.34 2.43 0.00 82 D 8.11 4.66 0.00 2.85 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 83 E 8.27 4.36 0.00 2.06 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 2.36 2.34 0.00 84 A 8.23 4.29 1.11 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 85 D 8.20 5.23 0.00 2.61 2.16 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 86 Y 8.85 5.21 0.00 2.99 3.08 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 0.00 87 Y 9.25 5.50 0.00 3.33 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 88 C 8.98 4.46 0.00 1.94 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 89 Q 7.89 4.73 0.00 1.73 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.50 0.00 0.00 0.00 0.00 0.00 1.62 1.16 0.00 90 S 8.57 4.47 0.00 3.85 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 91 Y 8.64 5.20 0.00 3.01 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 92 D 9.27 4.95 0.00 2.92 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.50 4.52 0.00 4.18 4.33 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 94 S 8.07 3.91 0.00 3.83 4.23 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 95 N 7.90 4.62 0.00 2.69 2.67 0.00 0.00 7.22 7.89 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 95A H 8.12 4.74 0.00 3.38 3.09 0.00 5.68 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.61 4.05 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 0.44 0.00 0.00 0.97 0.00 0.00 97 V 8.23 4.24 1.77 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 0.69 0.00 0.00 0.24 0.00 0.00 98 F 8.78 4.83 0.00 2.90 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 99 G 9.22 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 0.00 0.00 0.00 0.00 100 G 8.82 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 0.00 0.00 0.00 101 G 8.55 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.46 4.91 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 1.29 0.00 0.00 103 K 9.12 4.75 0.00 2.02 1.83 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.45 7.81 104 L 8.86 4.99 0.00 1.93 1.94 0.96 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.60 4.71 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 1.22 0.00 0.00 106 V 8.53 4.37 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 0.75 0.00 0.00 1.01 0.00 0.00 107 L 8.73 4.27 0.00 1.54 1.57 0.91 0.71 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 * Residues marked with a * may have inaccurate shift predictions.