NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5502 8.3049 120.3346 55.0836 33.4637 178.2951 2 N 5.1013 8.9614 125.8400 51.4507 41.8609 170.9672 3 I 4.9422 9.0263 122.6026 59.5164 43.1810 172.9381 4 I 4.9045 8.1841 129.1187 59.5073 39.7013 174.2078 5 L 4.7790 9.3423 130.0026 53.2665 44.1055 175.1343 6 K 4.6744 9.1571 130.0271 55.4066 33.5859 175.2737 7 I 4.4637 8.6141 130.3299 59.7291 38.5048 175.8634 8 S 4.4120 8.9107 122.7214 58.4295 63.2987 175.5887 9 G 3.8788 8.9950 111.4957 47.9110 0.0000 176.1979 10 K 4.9796 8.2065 121.5081 58.7820 31.8714 178.6771 11 F 3.2513 7.7010 120.1543 60.2008 39.0403 176.0854 12 F 4.6129 7.6442 114.3674 57.5180 39.4702 176.2703 13 D 4.8205 8.1937 119.4203 55.2198 41.2960 177.8110 14 E 3.8307 7.8835 119.2465 57.9134 29.8389 176.2542 *37 V 4.2897 7.1252 116.8289 62.8637 33.5839 173.7045 38 G 4.7005 9.1336 114.4415 44.6348 0.0000 171.7574 39 I 5.1255 9.0099 126.1493 59.4522 40.2958 174.7626 40 V 4.8056 8.6598 126.1080 61.1504 34.2733 174.0769 41 T 5.1115 8.6185 118.3823 59.8202 70.6704 174.5132 42 G 3.8734 8.7182 112.8047 45.5065 0.0000 174.0913 43 G 3.7239 8.8688 108.7507 46.1438 0.0000 175.2371 44 G 4.2214 8.1542 108.6496 45.5630 0.0000 173.8639 45 S 4.2233 8.7123 112.6843 61.7486 62.9432 176.6175 46 T 3.9615 8.0610 118.7470 66.4805 68.2147 175.9180 47 A 4.1013 7.9102 121.9976 55.4746 18.4639 179.6938 48 R 3.9065 8.0921 116.3291 59.5331 30.1247 179.2758 49 R 3.8479 8.7514 118.5969 59.6799 30.0217 178.2752 50 Y 3.9460 8.0308 116.0656 61.1231 37.9461 178.2401 51 I 3.7668 8.1589 120.9039 64.3167 37.1825 178.6733 52 K 3.9482 8.1077 119.2245 59.4587 31.7350 179.1276 53 L 3.9229 7.8759 118.9931 57.9895 42.2469 178.7013 54 A 4.1448 8.8047 121.0721 55.3336 18.4792 179.4016 55 R 3.8655 8.5157 117.5962 59.7853 29.8257 178.0891 56 E 4.0292 8.2549 118.3278 58.3922 29.5809 177.8440 57 I 4.4062 7.7532 110.3184 60.3602 38.0921 176.0364 58 G 3.9925 7.8686 108.6249 45.7095 0.0000 173.7262 59 I 3.9211 7.6446 120.4824 60.3179 37.8116 176.9150 60 G 4.0811 8.9660 111.9774 45.1223 0.0000 173.8343 61 E 3.9958 8.7655 120.8170 58.7842 29.7953 178.9254 62 A 3.8202 7.8520 120.4870 55.5820 18.4121 179.1538 63 Y 4.2265 7.5077 114.4477 61.1084 38.0844 178.3872 64 L 4.1578 8.1548 120.0959 57.9986 41.7023 179.3961 65 D 4.3604 8.1341 118.6698 57.2088 40.7633 178.6036 66 L 3.9267 7.7296 119.0526 57.9729 41.6547 179.4555 67 L 4.2629 8.5786 119.2993 57.9970 41.5375 179.9652 68 G 3.6309 8.0554 105.2620 47.7996 0.0000 175.7457 69 I 3.5854 8.0960 122.7262 63.8867 37.0266 178.5395 70 W 4.2696 8.6588 119.7261 59.7961 28.7640 178.2887 71 A 4.0074 8.3387 121.0740 55.3493 17.7777 179.8777 72 S 4.1970 8.2294 112.7077 61.5817 63.0118 177.0282 73 R 3.7714 7.9496 121.8302 58.7707 29.9028 178.4415 74 L 4.1287 8.2896 120.4555 58.5450 42.0224 178.9381 75 N 3.9531 7.8898 115.9785 55.5801 38.2119 177.4097 76 A 3.7642 7.5412 122.4591 55.2589 18.4750 179.2490 77 Y 3.5245 8.0935 115.5097 60.8111 37.7806 178.4790 78 L 3.8768 7.5552 120.9841 58.3377 41.9514 179.3103 79 V 3.7216 7.4518 116.6816 66.0002 31.7461 177.3970 80 M 4.1854 8.0728 118.1424 58.8917 31.8817 178.0211 81 F 4.6199 8.5760 118.4663 61.0239 38.8676 177.9172 82 S 4.3086 8.0089 112.5750 60.9279 63.3784 175.7194 83 L 4.3262 8.5077 120.8770 55.1647 41.7437 175.9186 84 Q 3.6651 7.1305 118.9706 55.3749 29.7217 177.0914 85 D 4.8225 9.0578 123.7692 54.5127 38.8293 174.4226 86 L 4.6790 8.0077 117.3418 53.8837 43.8784 175.8975 87 A 5.2469 7.7174 120.0002 49.9315 21.8917 174.8147 88 Y 4.3038 8.8835 122.4701 57.3554 39.5095 177.3903 89 M 4.4815 7.9988 130.6772 54.7204 30.2360 175.5936 90 H 4.7689 7.3329 116.2997 55.0060 33.3921 173.0255 91 V 4.2308 7.7839 125.9006 59.6584 31.2270 172.9032 92 P 4.5703 0.0000 0.0000 63.5755 31.6835 176.5303 93 Q 4.6807 8.7957 118.3505 55.6095 29.5169 175.0782 94 S 3.9462 7.1781 112.1951 55.6527 66.7690 174.9230 95 L 3.4247 7.2416 124.1980 58.1422 41.8686 178.9621 96 E 3.9219 7.8928 117.8750 59.7062 29.3883 179.0713 97 E 4.0158 8.0370 118.3496 59.3178 29.4874 179.2306 98 F 4.1126 8.1836 120.6708 61.4134 39.2603 177.1233 99 I 3.7567 7.7517 118.1853 64.4122 37.1554 177.9831 100 Q 3.9946 7.8294 119.6812 59.4762 28.7623 178.0810 101 D 4.0349 8.3213 120.1199 56.8629 40.8980 178.6244 102 W 3.8053 8.3888 129.1186 60.0631 30.2826 178.1066 103 S 4.0197 7.4533 114.7980 61.7064 62.3340 175.7823 104 H 4.2284 7.0702 116.1728 56.0347 28.2632 175.8707 105 G 3.6075 7.2642 108.0449 46.0367 0.0000 173.4393 106 K 4.5287 7.2722 116.9283 53.2422 35.8038 175.9713 107 V 4.0221 8.0416 120.0719 62.9488 32.6028 174.8456 108 V 4.8984 8.7649 126.1579 61.1052 34.7320 173.8844 109 V 4.9159 8.6385 126.9902 61.5631 33.3731 174.5938 110 T 4.6338 9.5347 124.4764 61.7750 72.0115 173.4039 111 G 4.1575 8.0722 112.3504 44.6717 0.0000 172.9625 112 G 3.5664 8.1550 112.0439 45.6227 0.0000 171.6533 113 F 5.2270 8.0696 113.7506 57.1186 41.7224 175.3235 114 Q 4.5901 7.7854 120.6534 53.2017 32.0462 173.2692 115 P 4.2846 0.0000 0.0000 63.7812 31.9014 176.7590 116 G 3.9339 9.8749 107.2000 45.9095 0.0000 173.3461 117 Q 4.4108 7.4463 116.0113 54.9162 31.2497 173.0251 118 S 4.7452 8.1600 110.8897 56.0262 66.3630 174.5947 119 T 3.7977 8.2739 110.1434 63.8588 68.1496 176.2144 120 A 3.8472 7.9220 124.4575 55.0532 18.3683 179.1582 121 A 3.8497 7.7834 119.3253 55.3704 18.4337 179.7419 122 V 3.3071 7.6570 115.7728 66.1953 31.3940 177.6304 123 A 3.7676 8.0685 120.3623 55.2088 18.0938 179.3767 124 A 3.8030 7.9382 118.8654 55.1885 18.4370 179.3813 125 L 3.8061 7.9822 117.3830 58.3634 41.8688 180.1558 126 V 3.0171 7.9881 117.7245 65.8326 31.2429 177.9316 127 A 3.9035 7.7548 121.8444 54.7922 18.0705 178.6723 128 E 3.8292 8.5502 118.4336 58.7952 29.4927 178.4787 129 A 3.6790 8.2501 123.9167 55.1151 18.5388 178.4349 130 S 4.1152 8.0846 108.2634 57.6339 63.4800 174.3766 131 S 3.4366 8.2934 116.6353 59.9204 60.4800 172.1359 132 S 5.0171 8.2584 115.7074 56.7912 63.7751 175.2215 133 K 4.2526 8.6323 124.6624 58.3958 33.3017 176.7605 134 T 4.9691 7.8709 116.5194 61.4083 72.1758 172.8219 135 L 4.8470 8.7761 128.3520 53.1514 44.4200 175.1747 136 V 4.1588 8.4842 128.0972 62.5289 32.8433 175.0939 137 V 4.5990 8.8255 129.7953 61.2880 32.2276 173.5354 138 A 4.7772 8.7639 129.6859 51.5303 19.4002 175.8119 139 T 5.0298 8.8834 118.6016 60.6438 70.5575 174.1740 140 N 3.1400 8.5665 117.7791 54.2683 37.9892 175.3423 141 V 3.9989 7.2031 118.7864 61.9191 32.8419 175.5674 142 D 4.6132 8.2225 121.3638 54.6678 41.5515 176.7687 143 G 3.9577 6.9903 105.0548 45.7725 0.0000 172.8455 144 V 3.4018 8.3188 119.0812 65.7319 31.5613 177.7764 *158 I 3.9083 7.4565 122.7693 60.3724 37.4675 173.9021 159 P 4.3073 0.0000 0.0000 65.4440 31.5412 176.0757 160 H 5.4643 7.6902 113.2748 52.8586 34.2971 174.2939 161 L 4.2432 8.1156 127.3329 56.8105 42.0428 176.6499 *182 E 4.0216 9.1588 119.5930 56.6418 30.1193 176.5653 183 L 2.6861 6.4739 116.2696 53.8564 45.2743 175.4653 184 L 4.4919 7.5241 130.2184 52.1216 42.9960 176.5145 185 D 4.5510 8.3308 124.8281 52.3329 40.8696 175.1002 186 P 4.1637 0.0000 0.0000 66.2663 30.7696 177.7714 187 L 3.8601 8.0761 120.0430 57.5138 41.9261 178.4983 188 A 3.9388 8.0043 119.8926 55.3666 18.2228 179.5752 189 I 3.6141 7.5852 117.6010 64.3078 37.2186 178.3166 190 K 3.8189 8.1281 120.5811 59.7395 31.9386 178.7698 191 I 3.6684 7.9518 119.8324 64.6459 37.1687 178.8375 192 V 3.6469 7.8796 113.0839 64.6105 31.1955 178.2649 193 E 4.0261 8.4006 118.9810 58.9359 29.2775 179.0581 194 R 3.9200 8.0572 115.7077 58.8557 29.4630 177.5592 195 S 4.5010 8.0596 111.5780 57.0893 63.8502 174.1398 196 K 3.7900 7.8275 119.4017 57.4689 29.5270 174.3750 197 I 4.6379 8.2498 118.5012 59.4295 39.5750 177.2480 198 R 4.3852 8.7858 124.5434 55.4650 31.0492 175.5326 199 V 4.4481 8.1333 123.8057 61.8284 33.4716 174.6055 200 I 4.6919 8.5520 128.9102 59.5581 39.3088 174.6666 201 V 4.4956 8.6042 129.0267 62.4738 32.8939 174.9610 202 M 5.2312 8.8280 124.0744 54.1464 35.7924 172.6584 203 N 5.8143 8.6975 117.2403 51.5480 40.3079 175.3130 204 Y 4.3953 9.2655 125.7441 59.1204 38.2195 177.8839 205 R 4.2837 8.3259 120.4719 58.2385 30.5132 176.8115 206 K 4.6110 8.3840 116.8179 56.3797 32.6691 177.8080 207 L 4.0602 7.8066 122.5692 57.8026 41.8017 179.3314 208 N 4.2895 8.3545 115.0853 55.8244 37.2953 175.7047 209 R 4.4504 8.0862 116.4406 55.8861 30.5255 177.7387 210 I 3.6291 7.8449 121.8061 64.5863 37.4227 177.5101 211 I 3.6698 7.7312 118.8766 64.8436 37.3502 177.6755 212 D 4.5016 8.0706 118.8232 57.3383 40.4354 178.7421 213 I 3.7291 7.5646 119.7831 64.3854 37.2090 178.1199 214 L 4.1641 7.8074 117.9734 56.8694 41.4664 178.2959 215 K 4.4570 7.8827 117.9071 55.2004 33.0063 178.3428 216 G 5.1343 7.0613 117.1989 46.3364 0.0000 172.9198 217 E 4.4519 8.2447 119.0679 56.1206 33.3656 174.4804 218 E 4.5004 7.8085 117.2328 53.8987 31.7181 174.7381 219 V 3.3797 7.8230 121.6913 62.1052 31.2629 175.4350 220 S 4.8516 7.9494 118.9918 58.0216 65.1188 176.2550 221 S 4.8017 8.4289 119.0349 57.3744 64.3906 173.6926 222 I 4.5588 8.1866 127.8178 59.7196 36.6505 175.5883 223 I 3.9380 8.6882 129.5210 61.1775 38.0094 175.1450 224 E 4.7484 8.6033 127.2465 54.0988 31.2778 174.0094 225 P 4.5509 0.0000 0.0000 62.4411 32.4938 176.6418 226 V 4.0141 8.0948 116.5489 61.6349 32.6596 174.7765 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 M 8.30 4.55 0.00 2.05 1.25 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.66 0.00 2 N 8.96 5.10 0.00 2.96 2.81 0.00 0.00 6.20 6.44 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 3 I 9.03 4.94 1.91 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 1.36 1.67 0.98 0.00 0.00 4 I 8.18 4.90 1.78 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.70 0.82 0.00 0.00 5 L 9.34 4.78 0.00 1.67 1.52 0.88 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 6 K 9.16 4.67 0.00 1.73 1.64 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.49 7.81 7 I 8.61 4.46 1.88 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.13 0.13 0.00 0.00 8 S 8.91 4.41 0.00 4.13 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 0.00 9 G 9.00 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 10 K 8.21 4.98 0.00 2.09 2.03 0.00 2.08 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.62 1.47 7.81 11 F 7.70 3.25 0.00 1.99 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 7.64 4.61 0.00 3.14 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 D 8.19 4.82 0.00 2.74 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 14 E 7.88 3.83 0.00 1.68 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 2.30 2.33 0.00 *37 V 7.13 4.29 2.18 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 1.04 0.00 0.00 1.00 0.00 0.00 38 G 9.13 4.70 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 0.00 0.00 0.00 39 I 9.01 5.13 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.05 0.98 0.00 0.00 40 V 8.66 4.81 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 0.91 0.00 0.00 0.74 0.00 0.00 41 T 8.62 5.11 4.24 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 1.26 0.00 0.00 42 G 8.72 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 43 G 8.87 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 0.00 0.00 0.00 44 G 8.15 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 0.00 0.00 0.00 0.00 45 S 8.71 4.22 0.00 4.14 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 0.00 46 T 8.06 3.96 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 1.42 0.00 0.00 47 A 7.91 4.10 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.09 3.91 0.00 2.07 2.05 0.00 3.18 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.93 0.00 49 R 8.75 3.85 0.00 1.89 2.03 0.00 3.00 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.56 0.00 50 Y 8.03 3.95 0.00 3.35 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 51 I 8.16 3.77 1.94 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 1.78 0.90 0.96 0.00 0.00 52 K 8.11 3.95 0.00 2.14 1.86 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.55 7.81 53 L 7.88 3.92 0.00 1.66 1.87 0.89 0.84 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 54 A 8.80 4.14 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 55 R 8.52 3.87 0.00 1.93 2.17 0.00 3.13 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 56 E 8.25 4.03 0.00 2.29 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 0.00 2.33 2.33 0.00 57 I 7.75 4.41 1.88 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 1.66 0.82 0.92 0.00 0.00 58 G 7.87 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 59 I 7.64 3.92 1.95 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 1.59 0.90 1.05 0.00 0.00 60 G 8.97 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 0.00 0.00 0.00 0.00 61 E 8.77 4.00 0.00 2.10 1.94 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 2.37 2.43 0.00 62 A 7.85 3.82 0.89 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 63 Y 7.51 4.23 0.00 3.11 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 64 L 8.15 4.16 0.00 1.90 1.79 1.03 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.13 4.36 0.00 2.93 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.73 3.93 0.00 2.07 1.94 0.87 0.53 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 67 L 8.58 4.26 0.00 1.93 1.84 1.07 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.06 3.63 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 0.00 0.00 0.00 69 I 8.10 3.59 1.77 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.70 0.58 0.00 0.00 70 W 8.66 4.27 0.00 3.41 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 71 A 8.34 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 4.20 0.00 4.20 4.13 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 73 R 7.95 3.77 0.00 2.29 2.15 0.00 2.32 0.00 0.00 2.86 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 74 L 8.29 4.13 0.00 1.81 1.92 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 75 N 7.89 3.95 0.00 2.54 1.61 0.00 0.00 6.90 7.83 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 76 A 7.54 3.76 1.05 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 77 Y 8.09 3.52 0.00 2.88 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 0.00 0.00 0.00 0.00 78 L 7.56 3.88 0.00 1.74 1.72 1.02 0.92 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 79 V 7.45 3.72 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 0.94 0.00 0.00 1.19 0.00 0.00 80 M 8.07 4.19 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.74 0.00 81 F 8.58 4.62 0.00 3.23 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 82 S 8.01 4.31 0.00 4.09 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 83 L 8.51 4.33 0.00 1.92 1.80 0.99 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 84 Q 7.13 3.67 0.00 2.34 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 5.68 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 85 D 9.06 4.82 0.00 2.92 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 86 L 8.01 4.68 0.00 1.90 1.67 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 87 A 7.72 5.25 1.27 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 0.00 0.00 88 Y 8.88 4.30 0.00 2.85 2.96 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 89 M 8.00 4.48 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.46 0.00 90 H 7.33 4.77 0.00 2.80 3.19 0.00 5.68 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 V 7.78 4.23 1.57 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 0.63 0.00 0.00 -0.12 0.00 0.00 92 P 0.00 4.57 0.00 2.51 2.45 0.00 4.07 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 93 Q 8.80 4.68 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.64 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 94 S 7.18 3.95 0.00 3.74 3.75 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 95 L 7.24 3.42 0.00 1.52 1.50 0.91 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0.00 0.91 0.00 0.00 *158 I 7.46 3.91 1.86 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 0.92 0.94 0.00 0.00 159 P 0.00 4.31 0.00 2.33 2.32 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 160 H 7.69 5.46 0.00 3.05 3.24 0.00 5.97 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 L 8.12 4.24 0.00 1.79 1.12 0.91 0.42 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 *182 E 9.16 4.02 0.00 1.95 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 2.18 2.36 0.00 183 L 6.47 2.69 0.00 1.69 1.68 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 184 L 7.52 4.49 0.00 1.61 1.55 0.89 0.98 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 0.00 185 D 8.33 4.55 0.00 2.84 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 0.00 186 P 0.00 4.16 0.00 2.26 2.35 0.00 3.70 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 2.06 2.03 0.00 187 L 8.08 3.86 0.00 1.75 1.87 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 188 A 8.00 3.94 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 I 7.59 3.61 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.87 0.92 0.00 0.00 190 K 8.13 3.82 0.00 1.87 2.03 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.48 7.81 191 I 7.95 3.67 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.98 0.91 0.00 0.00 192 V 7.88 3.65 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 0.82 0.00 0.00 1.01 0.00 0.00 193 E 8.40 4.03 0.00 2.25 1.94 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 2.31 2.37 0.00 194 R 8.06 3.92 0.00 1.91 2.16 0.00 3.01 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.61 0.00 195 S 8.06 4.50 0.00 3.96 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 0.00 196 K 7.83 3.79 0.00 1.80 1.80 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.48 7.81 197 I 8.25 4.64 1.83 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 1.25 0.52 1.00 0.00 0.00 198 R 8.79 4.39 0.00 2.00 2.06 0.00 2.93 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 199 V 8.13 4.45 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 1.03 0.00 0.00 0.90 0.00 0.00 200 I 8.55 4.69 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.40 0.88 0.00 0.00 201 V 8.60 4.50 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 0.92 0.00 0.00 0.90 0.00 0.00 202 M 8.83 5.23 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 203 N 8.70 5.81 0.00 2.73 2.65 0.00 0.00 7.43 7.56 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 0.00 204 Y 9.27 4.40 0.00 2.89 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 0.00 205 R 8.33 4.28 0.00 1.96 2.03 0.00 3.33 0.00 0.00 3.38 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 206 K 8.38 4.61 0.00 1.90 1.76 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.37 7.81 207 L 7.81 4.06 0.00 1.86 1.76 0.70 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 208 N 8.35 4.29 0.00 2.83 3.00 0.00 0.00 6.00 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 0.00 209 R 8.09 4.45 0.00 1.92 1.97 0.00 3.17 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 210 I 7.84 3.63 2.00 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 1.53 1.22 0.95 0.00 0.00 211 I 7.73 3.67 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.93 0.92 0.00 0.00 212 D 8.07 4.50 0.00 2.78 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 0.00 213 I 7.56 3.73 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.73 0.89 0.00 0.00 214 L 7.81 4.16 0.00 1.86 1.73 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 215 K 7.88 4.46 0.00 1.85 1.80 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.68 7.81 216 G 7.06 5.13 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 0.00 0.00 0.00 217 E 8.24 4.45 0.00 1.87 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 0.00 2.18 2.28 0.00 218 E 7.81 4.50 0.00 1.93 1.81 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 2.20 2.32 0.00 219 V 7.82 3.38 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 0.85 0.00 0.00 0.92 0.00 0.00 220 S 7.95 4.85 0.00 3.92 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 0.00 221 S 8.43 4.80 0.00 3.76 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 0.00 222 I 8.19 4.56 1.75 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 1.18 0.42 0.95 0.00 0.00 223 I 8.69 3.94 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.88 0.90 0.00 0.00 224 E 8.60 4.75 0.00 2.02 1.86 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 2.30 2.40 0.00 225 P 0.00 4.55 0.00 2.06 2.04 0.00 3.73 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 1.97 1.98 0.00 226 V 8.09 4.01 2.08 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 0.69 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.