NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.3719 8.3344 115.4053 57.7233 64.3374 173.0212 1 L 4.0515 8.4318 126.5221 53.1124 42.5108 174.7208 2 I 4.1923 8.3636 119.7876 60.9138 40.3230 176.0193 3 W 4.6978 7.5051 120.4894 57.2976 29.3519 175.7896 4 K 4.2384 9.0370 122.1638 57.6373 32.4610 177.4272 5 R 4.2894 7.7131 117.2161 54.7470 31.2394 175.4229 6 H 4.6861 8.6334 120.5221 54.3281 28.7846 173.7741 7 L 4.7765 8.0544 123.4602 52.7266 45.0444 176.5402 8 T 4.5769 7.8711 110.2454 59.9474 72.1934 175.5575 9 L 3.9129 8.2486 121.3353 58.1434 41.5297 179.4917 10 D 4.3910 8.0531 118.2308 57.5257 40.5749 178.6504 11 E 3.9860 7.7728 117.7743 59.1281 29.8538 179.0010 12 L 3.9224 8.0347 119.4034 58.0064 41.8349 179.4961 13 N 4.6618 8.6918 116.2598 56.0578 38.1111 177.1694 14 A 4.1590 7.8374 121.9858 54.5380 18.1799 179.2697 15 T 3.8504 7.6521 107.2845 64.2660 69.5330 176.9325 16 S 4.3130 8.0906 117.7591 59.8007 62.6920 173.9433 17 D 4.5248 6.8944 121.1127 56.1466 40.8520 176.2396 18 N 4.2470 8.9727 120.9035 54.5649 36.1040 173.4726 19 T 4.7139 7.4563 107.5299 59.3100 72.2978 173.9597 20 M 4.0796 8.4469 119.0197 58.4804 32.0165 178.1144 21 V 3.4958 7.6028 118.1275 66.0804 31.7078 177.9595 22 A 3.9957 7.8902 119.8618 55.2380 18.1107 178.8447 23 H 4.1806 7.9357 115.5066 58.5338 29.9510 176.3866 24 L 4.5061 7.5902 117.7504 53.5837 42.0281 176.8407 25 G 3.8153 7.7770 106.9706 46.0627 0.0000 173.6182 26 I 4.0778 7.5045 120.8323 60.7166 37.8749 175.8091 27 V 4.3691 8.3707 126.6030 60.8178 34.3439 174.2565 28 Y 4.7075 8.7116 126.8293 58.6767 37.7547 176.1339 29 T 4.6796 8.9719 113.0774 61.3361 70.7979 174.0205 30 R 4.6040 7.6807 121.5602 55.4276 33.7882 173.5141 31 L 5.0131 8.6402 127.0836 53.5136 43.7389 175.3237 32 G 4.2888 8.7361 118.4314 44.4614 0.0000 171.5602 33 D 4.6179 8.6904 117.7780 56.9167 41.0999 177.6581 34 D 4.3268 7.7666 117.4914 52.0002 39.9583 174.8911 35 V 5.0129 7.8898 117.3595 61.4589 35.1252 172.5206 36 L 5.2538 9.0946 124.0911 53.6037 45.2547 174.9122 37 E 5.8370 9.7567 125.0856 53.9808 33.3995 174.8458 38 A 5.1770 8.4046 122.3183 50.7883 23.0836 174.8688 39 E 5.1615 8.9972 119.8191 54.8573 33.1622 174.9208 40 M 5.1523 8.6974 121.3127 53.1780 35.9739 172.7081 41 P 4.6184 0.0000 0.0000 62.8041 32.9192 176.4334 42 V 4.3133 8.2521 122.9424 61.4554 31.1925 174.2557 43 D 4.3404 8.4208 125.1120 51.6991 42.3163 175.9816 44 T 3.8097 8.5649 112.2843 65.9762 67.2158 175.7757 45 R 4.0372 8.4373 119.6673 58.4623 30.3016 177.2039 46 T 4.6188 8.1599 106.5576 61.5144 70.1183 173.9775 47 H 5.3321 8.2751 118.9310 55.8774 30.1449 174.2874 48 Q 4.5788 8.1518 117.9421 54.8219 31.3791 175.6384 49 P 3.8090 0.0000 0.0000 66.1036 32.1570 178.3143 *50 F 4.0438 7.7635 117.7386 58.1504 38.1729 178.0460 51 G 3.8734 8.1212 105.1004 45.5629 0.0000 173.8927 52 L 4.5007 7.6444 120.3230 53.3639 43.8916 175.5537 53 L 4.4597 8.8116 123.5966 55.1405 42.6364 176.1798 54 H 4.1809 9.3975 127.7707 56.0452 30.3804 176.5457 55 G 3.7368 8.9440 112.2202 47.6485 0.0000 175.8768 56 G 3.6644 8.5801 107.2926 47.3471 0.0000 175.7408 57 A 3.9925 8.0582 123.1834 55.1686 18.4323 179.8477 58 S 4.0392 8.0836 113.0011 61.6946 62.9291 176.5782 59 A 3.9977 7.8631 123.2456 55.2135 18.1248 179.5731 60 A 3.9187 8.1174 119.2965 55.0688 18.4319 179.6370 61 L 3.8401 8.1732 118.9602 58.1371 42.1886 179.0735 62 A 3.9873 8.0955 120.7199 55.2634 18.3288 179.2266 63 E 3.9211 8.3897 117.9165 59.5915 29.5734 179.2550 64 T 3.8497 8.0401 115.8346 66.5626 68.5724 176.7248 65 L 4.1063 8.0309 120.9594 57.8125 41.7113 179.8043 66 G 3.3833 8.1086 105.6189 47.7791 0.0000 175.9246 67 S 4.1212 7.8170 117.1103 61.5535 62.8771 176.5100 68 M 3.9484 7.7908 120.3247 58.4695 31.7478 178.1268 69 A 3.6290 7.5007 120.0375 54.7995 18.6755 179.4565 70 G 4.0575 7.5279 104.2330 48.0301 0.0000 175.5769 71 F 4.2700 8.3035 123.2629 61.3489 39.4014 176.8403 72 M 3.9392 8.2166 117.0194 57.1670 31.4371 177.3069 73 M 4.6112 7.8590 118.0635 54.6387 32.9005 175.7671 74 T 4.5810 7.1223 110.0869 60.0302 71.0963 173.8891 75 R 4.5843 8.2855 118.0006 53.8555 31.9938 174.8469 76 D 4.3753 8.2880 117.1104 55.9319 40.9234 177.8826 77 G 3.9929 9.1657 112.8179 45.1913 0.0000 173.1512 78 Q 4.5929 7.8235 118.2278 54.8532 30.4714 174.1214 79 C 5.1084 8.1658 118.5287 58.0778 35.6513 172.5471 80 V 5.1601 8.4609 121.2805 61.2867 34.7995 174.8756 81 V 4.5581 8.7060 124.0570 59.9040 35.0277 174.3144 82 G 3.9050 8.8630 111.7487 46.8788 0.0000 172.5671 83 T 4.5960 9.1312 120.2220 62.8436 69.6998 174.3006 84 E 4.7526 8.0247 121.2712 54.2585 33.0990 173.9554 85 L 5.4528 8.6545 127.9259 53.3477 45.4164 174.9109 86 N 5.2486 8.7801 121.5155 51.6461 41.2333 172.9864 87 A 4.9476 8.3184 119.9713 51.2649 22.7524 175.5952 88 T 4.3374 8.6251 118.3359 61.9789 71.3550 173.3413 89 H 4.5114 8.6231 124.3981 55.5155 28.5592 175.0322 90 H 4.5873 8.7307 121.6965 58.0665 29.0247 176.5460 91 R 4.7224 7.7579 114.0389 53.5578 33.9870 173.0792 92 P 4.6562 0.0000 0.0000 62.1439 32.9050 175.6294 93 V 4.5401 7.9886 117.9856 61.3341 34.4471 175.8447 94 S 4.7935 8.6175 117.5885 57.5131 64.4161 173.1439 95 E 4.6764 7.9015 117.3060 56.0288 33.1310 176.5733 96 G 3.8700 8.7099 106.3237 45.7244 0.0000 172.4480 97 K 5.0857 8.9831 121.9179 55.2358 36.1357 176.5402 98 V 4.7167 8.6354 113.7403 59.6285 35.3446 174.7223 99 R 5.0287 9.0922 123.0628 54.6346 33.0696 174.2579 100 G 4.3911 9.3129 114.2418 44.7070 0.0000 172.4158 101 V 4.7597 8.8584 124.6714 61.1816 34.3492 173.5312 102 C 5.4619 9.1406 128.9587 57.9524 33.6615 172.4995 103 Q 5.2510 9.2089 124.3137 53.4885 33.1137 172.7526 104 P 4.3060 0.0000 0.0000 62.9678 31.7462 175.7165 105 L 4.5827 8.3323 121.5153 56.0735 44.2815 176.6579 106 H 4.6484 7.5069 117.2093 54.6843 33.5471 172.4312 107 L 4.4396 8.2099 124.9895 53.0340 43.5279 176.0371 108 G 4.0869 8.4758 112.9297 43.2996 0.0000 172.5221 109 R 4.1215 8.3759 115.1082 57.3942 30.2579 177.0218 110 Q 4.4287 7.8945 119.1928 56.8759 30.8335 173.7957 111 N 5.2453 7.5618 113.1808 52.4078 40.9383 173.0186 112 Q 4.8889 8.8590 117.1507 54.6560 34.2782 174.0735 113 S 5.0103 8.4452 114.4158 56.5970 65.6663 172.5932 114 W 5.2484 9.3075 126.8239 54.9170 32.5362 174.0973 115 E 5.0713 9.4556 124.8664 54.9360 31.6934 174.9640 116 I 5.0957 8.6909 126.1333 59.9405 41.1349 174.1015 117 V 4.5407 8.5760 127.9756 61.0765 33.8098 174.5394 118 V 4.7100 8.5215 127.8722 61.2479 33.5103 174.2897 119 F 5.5577 9.1319 126.7577 55.7510 42.3157 175.3711 120 D 5.0845 8.7960 121.6312 52.0496 40.7630 177.2063 121 E 4.0890 8.6515 118.0300 58.5568 29.3153 177.9729 122 Q 4.2473 8.6933 117.4619 55.6565 29.1095 176.6850 123 G 3.9082 8.5627 107.1541 45.3002 0.0000 173.8526 124 R 4.3841 7.8974 119.0939 54.8761 31.1576 175.7569 125 R 4.1279 8.7347 122.8495 56.7521 30.5446 175.5600 126 C 4.8236 8.9707 122.5597 60.1199 31.0239 173.2516 127 C 5.0010 7.6349 118.0039 58.4078 34.9621 172.4110 128 T 4.9001 8.4671 121.8218 62.0410 71.2647 172.9470 129 C 5.4304 9.0184 122.9336 58.0293 33.0907 172.9895 130 R 5.1821 8.5944 119.2954 54.8679 33.5708 173.3492 131 L 5.0553 9.3781 128.1653 53.3056 45.2908 175.1242 132 G 4.5336 9.3767 114.2972 45.2346 0.0000 172.6281 133 T 5.4484 9.0043 112.6964 59.5956 73.1198 172.3445 134 A 5.0344 8.9203 123.6926 50.1560 22.0970 175.2815 135 V 4.5180 8.4534 122.9215 61.3739 32.6016 176.5038 136 L 4.7385 9.8563 130.6504 54.8042 41.3225 177.0453 137 G 3.7334 7.9772 112.5353 45.7442 0.0000 173.2620 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 4.37 0.00 3.94 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 1 L 8.43 4.05 0.00 1.71 1.63 1.14 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.36 4.19 1.62 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 -0.13 0.69 0.00 0.00 3 W 7.51 4.70 0.00 3.27 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 4 K 9.04 4.24 0.00 1.87 1.83 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.66 7.81 5 R 7.71 4.29 0.00 1.56 1.69 0.00 2.32 0.00 0.00 2.64 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.53 0.00 6 H 8.63 4.69 0.00 3.11 3.28 0.00 5.83 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.05 4.78 0.00 1.44 1.48 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.87 4.58 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 1.22 0.00 0.00 9 L 8.25 3.91 0.00 1.71 1.79 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.05 4.39 0.00 2.75 2.72 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 E 7.77 3.99 0.00 1.98 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 0.00 2.33 2.32 0.00 12 L 8.03 3.92 0.00 1.62 0.87 0.54 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.69 4.66 0.00 2.77 2.93 0.00 0.00 6.98 7.68 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 14 A 7.84 4.16 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 15 T 7.65 3.85 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 1.17 0.00 0.00 16 S 8.09 4.31 0.00 4.02 3.93 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 17 D 6.89 4.52 0.00 2.50 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 18 N 8.97 4.25 0.00 2.86 2.91 0.00 0.00 6.90 7.54 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 19 T 7.46 4.71 4.21 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 0.00 0.00 0.00 1.27 0.00 0.00 20 M 8.45 4.08 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.58 0.00 21 V 7.60 3.50 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 0.78 0.00 0.00 0.90 0.00 0.00 22 A 7.89 4.00 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 23 H 7.94 4.18 0.00 3.24 3.51 0.00 5.93 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.59 4.51 0.00 1.61 1.62 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.78 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 26 I 7.50 4.08 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.49 0.60 0.00 0.00 27 V 8.37 4.37 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 0.97 0.00 0.00 0.88 0.00 0.00 28 Y 8.71 4.71 0.00 2.92 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 29 T 8.97 4.68 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 1.37 0.00 0.00 30 R 7.68 4.60 0.00 1.92 1.81 0.00 3.16 0.00 0.00 3.47 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 31 L 8.64 5.01 0.00 1.51 1.52 0.76 0.84 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 32 G 8.74 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 0.00 0.00 0.00 0.00 33 D 8.69 4.62 0.00 2.78 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 34 D 7.77 4.33 0.00 2.57 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 0.00 0.00 0.00 0.00 35 V 7.89 5.01 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 0.74 0.00 0.00 1.13 0.00 0.00 36 L 9.09 5.25 0.00 1.80 1.57 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 37 E 9.76 5.84 0.00 1.96 1.85 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 2.46 2.16 0.00 38 A 8.40 5.18 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 39 E 9.00 5.16 0.00 1.90 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 2.24 2.23 0.00 40 M 8.70 5.15 0.00 2.02 1.78 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 41 P 0.00 4.62 0.00 2.08 2.00 0.00 3.83 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 42 V 8.25 4.31 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 0.90 0.00 0.00 0.96 0.00 0.00 43 D 8.42 4.34 0.00 2.72 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 44 T 8.56 3.81 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 1.16 0.00 0.00 45 R 8.44 4.04 0.00 1.86 1.88 0.00 3.21 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.49 0.00 46 T 8.16 4.62 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 1.20 0.00 0.00 47 H 8.28 5.33 0.00 3.04 3.24 0.00 5.66 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.15 4.58 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.42 0.00 0.00 0.00 0.00 0.00 2.32 2.24 0.00 49 P 0.00 3.81 0.00 2.07 2.02 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.14 0.00 *50 F 7.76 4.04 0.00 2.30 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 0.00 0.00 0.00 0.00 51 G 8.12 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 52 L 7.64 4.50 0.00 1.58 1.68 0.89 0.51 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 53 L 8.81 4.46 0.00 1.61 1.59 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 54 H 9.40 4.18 0.00 3.47 3.15 0.00 5.65 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 55 G 8.94 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 0.00 0.00 0.00 56 G 8.58 3.66 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 0.00 0.00 0.00 57 A 8.06 3.99 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 58 S 8.08 4.04 0.00 3.92 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 59 A 7.86 4.00 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 60 A 8.12 3.92 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 61 L 8.17 3.84 0.00 1.81 1.85 0.86 1.31 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 62 A 8.10 3.99 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 63 E 8.39 3.92 0.00 2.18 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 0.00 2.31 2.40 0.00 64 T 8.04 3.85 4.37 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 1.18 0.00 0.00 65 L 8.03 4.11 0.00 1.71 1.70 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.11 3.38 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 0.00 67 S 7.82 4.12 0.00 3.83 3.90 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 68 M 7.79 3.95 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.05 0.00 69 A 7.50 3.63 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.53 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 0.00 0.00 0.00 71 F 8.30 4.27 0.00 3.15 3.21 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 0.00 0.00 0.00 0.00 72 M 8.22 3.94 0.00 1.78 1.81 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.33 0.00 73 M 7.86 4.61 0.00 2.17 2.53 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.07 3.50 0.00 74 T 7.12 4.58 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 1.32 0.00 0.00 75 R 8.29 4.58 0.00 1.97 2.03 0.00 2.81 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.54 0.00 76 D 8.29 4.38 0.00 2.69 2.68 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 0.00 0.00 0.00 0.00 77 G 9.17 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 0.00 0.00 0.00 78 Q 7.82 4.59 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 79 C 8.17 5.11 0.00 3.01 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 80 V 8.46 5.16 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 1.03 0.00 0.00 1.12 0.00 0.00 81 V 8.71 4.56 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 82 G 8.86 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 83 T 9.13 4.60 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 1.28 0.00 0.00 84 E 8.02 4.75 0.00 2.09 1.74 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 2.28 2.36 0.00 85 L 8.65 5.45 0.00 1.65 1.48 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 86 N 8.78 5.25 0.00 2.75 2.83 0.00 0.00 6.48 7.87 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 87 A 8.32 4.95 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 88 T 8.63 4.34 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 1.13 0.00 0.00 89 H 8.62 4.51 0.00 3.02 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 H 8.73 4.59 0.00 3.07 3.31 0.00 5.60 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 91 R 7.76 4.72 0.00 1.76 1.79 0.00 3.22 0.00 0.00 3.54 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 92 P 0.00 4.66 0.00 2.17 2.03 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 93 V 7.99 4.54 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 1.07 0.00 0.00 0.95 0.00 0.00 94 S 8.62 4.79 0.00 3.93 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 95 E 7.90 4.68 0.00 2.05 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 2.19 2.32 0.00 96 G 8.71 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 97 K 8.98 5.09 0.00 1.83 1.75 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.39 7.81 98 V 8.64 4.72 2.12 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 0.81 0.00 0.00 0.97 0.00 0.00 99 R 9.09 5.03 0.00 1.89 1.84 0.00 3.10 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 100 G 9.31 4.39 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 0.00 101 V 8.86 4.76 2.35 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 1.08 0.00 0.00 1.22 0.00 0.00 102 C 9.14 5.46 0.00 3.09 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 0.00 103 Q 9.21 5.25 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.55 2.43 0.00 104 P 0.00 4.31 0.00 1.65 1.41 0.00 3.82 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 1.90 1.90 0.00 105 L 8.33 4.58 0.00 1.53 1.68 0.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 106 H 7.51 4.65 0.00 3.12 2.97 0.00 5.80 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.21 4.44 0.00 1.32 1.41 0.74 0.32 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 0.00 108 G 8.48 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 0.00 0.00 0.00 109 R 8.38 4.12 0.00 1.93 2.06 0.00 3.00 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 110 Q 7.89 4.43 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 111 N 7.56 5.25 0.00 3.02 2.90 0.00 0.00 6.04 7.40 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 0.00 112 Q 8.86 4.89 0.00 1.95 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 113 S 8.45 5.01 0.00 3.81 3.56 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 0.00 114 W 9.31 5.25 0.00 3.34 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 0.00 115 E 9.46 5.07 0.00 2.08 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 2.31 2.32 0.00 116 I 8.69 5.10 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 1.16 0.62 0.94 0.00 0.00 117 V 8.58 4.54 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 0.19 0.00 0.00 0.93 0.00 0.00 118 V 8.52 4.71 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 0.91 0.00 0.00 0.90 0.00 0.00 119 F 9.13 5.56 0.00 3.04 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 0.00 120 D 8.80 5.08 0.00 2.91 2.86 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 0.00 121 E 8.65 4.09 0.00 2.00 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 2.34 2.53 0.00 122 Q 8.69 4.25 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.71 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 123 G 8.56 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 0.00 124 R 7.90 4.38 0.00 2.25 1.92 0.00 3.16 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 125 R 8.73 4.13 0.00 1.77 1.84 0.00 3.06 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.33 0.00 126 C 8.97 4.82 0.00 2.85 3.09 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 0.00 127 C 7.63 5.00 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 0.00 128 T 8.47 4.90 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 1.22 0.00 0.00 129 C 9.02 5.43 0.00 2.85 2.88 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 0.00 130 R 8.59 5.18 0.00 1.86 1.87 0.00 3.04 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 131 L 9.38 5.06 0.00 1.83 1.62 1.07 0.97 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 0.00 132 G 9.38 4.53 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 0.00 133 T 9.00 5.45 4.40 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 1.42 0.00 0.00 134 A 8.92 5.03 1.26 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 0.00 0.00 0.00 135 V 8.45 4.52 2.12 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 0.86 0.00 0.00 nan 0.00 0.00 136 L 9.86 4.74 0.00 1.61 1.67 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 137 G 7.98 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.