NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 H 4.8016 8.4449 117.8382 55.5787 30.8973 172.4496 -2 H 4.8829 7.8312 114.8446 54.1270 33.0922 171.3020 -1 H 4.9909 8.6038 119.7231 55.5317 30.7952 174.0845 -1 K 4.5809 8.4738 121.9231 56.7317 34.8952 176.5845 3 N 5.1234 8.7205 123.1555 52.0947 40.1796 174.0780 4 T 4.8298 9.2780 123.1383 61.7858 71.8932 173.0621 5 V 4.7790 8.5581 126.3659 61.2381 34.2853 174.3666 6 V 4.8813 9.1406 127.8025 61.6480 33.2144 174.4819 7 R 5.5227 9.2454 127.7106 54.5699 32.8681 175.2877 8 I 5.3232 8.9445 115.7596 59.2872 41.7335 174.1054 9 K 4.7208 8.2850 122.7189 55.0824 35.7028 174.5291 10 A 4.8298 8.5510 126.6636 50.8889 23.3318 174.4211 11 E 4.8928 9.1209 121.8904 55.1689 31.2480 174.9034 12 L 5.2338 9.5702 127.3865 52.9406 44.3147 175.5902 13 E 4.3988 8.9341 124.3536 54.6057 32.3745 175.2442 14 N 4.4585 8.8274 124.4589 54.2478 36.2339 173.6926 15 V 4.6553 7.8263 116.7020 61.1822 33.7399 174.9289 16 K 4.4742 9.0008 128.3945 58.4530 33.8130 176.3186 17 R 5.2283 7.7763 113.5517 55.0790 32.6201 173.5341 18 L 5.4371 9.0074 124.0840 53.7387 44.9106 175.0732 19 F 5.8593 9.1742 119.5793 57.5202 41.7486 171.8934 20 C 4.9945 8.8012 113.3223 56.8839 33.2527 172.8342 21 D 5.2948 8.0492 118.3382 51.9479 41.4304 176.1900 22 D 4.4558 8.6587 117.1206 57.6817 41.0009 177.4892 23 E 4.0574 7.9611 116.4806 58.0947 29.6903 176.7766 24 Y 3.4517 7.2909 120.0708 57.8704 38.9602 175.4577 25 L 4.0050 6.5181 129.1587 53.3458 42.2943 175.7792 26 W 4.4039 8.5242 127.9895 56.3844 30.7064 175.8176 27 I 5.5468 7.8756 123.6133 58.5916 40.6202 174.3071 28 F 5.6035 8.6665 123.6172 56.2178 44.0809 172.8834 29 N 5.4733 9.7954 119.7714 52.3272 40.3000 174.4855 30 I 5.2274 8.9886 116.5083 59.1945 41.6405 174.0955 31 R 5.0285 8.7799 121.4423 54.2537 33.7440 173.5367 32 D 3.8166 7.9164 125.5107 53.9154 41.7157 177.3673 33 S 4.7486 8.9859 120.1351 59.8049 63.4437 175.4320 34 T 4.4057 8.0287 110.4847 60.9551 68.8150 173.2699 35 S 4.4058 7.1158 114.4382 58.3196 65.5419 174.0682 36 S 4.3089 8.3484 114.7263 59.7745 63.2331 174.8957 37 L 4.3025 7.3948 121.5184 55.3254 42.3186 176.4088 38 T 5.2743 8.4898 111.4289 60.1927 72.6051 173.0889 39 R 4.7276 9.2079 122.2567 55.1321 33.3787 173.6676 40 D 5.0640 8.9825 126.1519 53.5287 42.4420 175.6747 41 N 3.9539 8.5338 118.5260 54.5820 37.8575 174.3360 42 I 4.2097 7.8202 111.5999 60.9809 39.6653 175.9499 43 Q 5.3313 8.4398 121.7719 54.4918 32.3304 174.3263 44 F 5.1725 8.9638 116.7212 56.4351 41.8932 172.9256 45 R 5.4751 9.3103 118.6345 54.1272 33.0087 177.5137 46 K 4.5766 9.2238 120.3339 59.0822 32.7299 177.6336 47 T 4.4038 7.7648 108.4868 62.0688 69.4328 174.6672 48 D 4.5608 8.2410 124.0826 54.7119 42.0877 175.5229 49 I 4.5326 8.4631 123.2454 59.7049 39.6500 174.6665 50 L 4.6911 8.8104 128.2852 52.6155 44.2747 175.9779 51 E 4.4083 8.7212 124.2455 56.0198 30.2329 176.4586 52 I 3.9443 8.0243 126.2053 59.7920 37.9413 174.5963 53 P 4.1418 0.0000 0.0000 63.7821 31.9570 175.7953 54 N 4.1745 8.6057 117.6210 53.5329 36.2028 173.7627 55 S 4.5228 7.6533 110.4151 58.3398 65.3875 174.6136 56 R 4.2755 8.4598 121.9240 56.7934 30.2018 177.8939 57 G 4.1957 7.8144 104.6564 46.7279 0.0000 172.5532 58 T 5.3730 8.3005 108.8577 59.7393 72.1549 172.7879 59 A 5.1895 8.9422 122.5204 49.4921 22.5241 176.7240 60 N 4.7065 8.8757 115.9095 54.6147 39.8870 174.8230 61 F 4.5973 7.8612 119.2723 56.3513 44.1269 173.0369 *63 I 3.7191 8.0908 119.6988 60.5409 39.2084 174.3953 64 K 4.4007 8.1791 129.9254 54.0983 31.6447 175.4602 65 W 4.4144 8.6551 127.1736 59.2148 29.2122 176.2121 66 T 4.8438 7.5313 105.5653 59.3306 71.4210 173.4114 67 E 3.9418 8.7960 118.3392 58.1272 29.4095 176.6122 68 Y 4.3545 7.5467 117.4593 56.5017 39.4687 173.0177 69 P 4.5848 0.0000 0.0000 62.9473 31.8680 175.9716 70 K 4.5441 7.8289 119.0003 55.8666 34.1001 173.9707 71 Y 4.8118 8.7257 123.5550 56.4948 40.0991 175.1377 72 S 5.1766 9.3184 119.9351 57.0173 66.3986 173.2990 73 T 5.1362 8.9189 112.5423 60.1252 72.7929 172.5952 74 I 5.0227 8.9801 123.6074 59.6683 40.8557 174.2208 75 N 5.4594 9.1118 123.4894 50.9988 41.9545 173.7859 76 F 4.1060 9.5025 126.8890 58.4691 40.2764 174.2897 77 V 4.0552 6.8446 126.0013 60.8128 32.7610 175.0332 78 N 4.5265 8.7611 126.3495 53.4313 38.5937 174.4612 79 T 4.6442 8.0025 113.3747 59.0655 71.7352 173.6512 80 K 4.2825 8.4209 121.7681 57.6557 33.5898 176.0212 81 N 4.1258 8.7162 115.4959 54.0653 35.0065 174.7845 82 S 4.1335 7.5891 110.7823 59.3745 63.2312 172.9145 83 C 2.4500 8.7202 119.5202 60.2393 25.9028 172.7983 84 S 5.1902 7.3084 110.7828 56.8792 65.5109 172.3897 85 Y 4.9722 9.5396 127.0345 56.0886 41.9204 173.8588 86 E 5.0993 8.9795 125.1484 54.1165 33.5459 176.5808 87 E 3.8572 8.8355 122.2928 59.5837 29.5904 179.9263 88 V 3.5334 7.6750 115.8578 64.3139 31.6046 176.2282 89 N 4.6369 8.0539 117.3386 52.5959 38.4174 173.9250 90 N 4.2818 7.7788 117.9886 55.4207 39.0018 173.9407 91 N 4.2903 8.9904 121.5175 54.0886 36.8722 173.5203 92 E 4.8689 8.3124 116.9823 53.8948 32.2831 176.2949 93 W 4.5890 8.7957 122.7813 57.5644 30.1778 175.5925 94 R 4.8461 9.3311 122.2417 55.0666 33.6752 173.8355 95 D 4.7717 9.1291 126.1630 55.4188 41.0231 175.5205 96 F 4.8771 9.6858 125.2730 59.5232 42.2319 175.0666 97 A 4.6821 7.8440 117.5115 50.8692 22.4478 175.3851 98 S 5.0482 7.8241 116.4769 56.6535 66.8348 173.1627 99 F 5.0892 8.9950 120.6443 55.7727 43.2029 173.7655 100 E 5.0318 9.1261 123.3573 56.0814 30.6806 175.2303 101 C 5.2477 8.7351 122.0147 57.9285 31.2139 173.6239 102 R 4.3050 9.1258 122.9782 56.0367 32.3656 176.5123 103 G 4.5300 9.6969 111.8432 47.2107 0.0000 171.7135 104 I 5.1227 7.3631 118.4678 59.4899 41.4422 173.9626 105 E 4.6801 9.0634 124.2787 54.4106 31.8320 175.2313 106 L 4.1577 8.5036 125.0256 55.2134 41.6654 176.4273 107 I 4.2784 9.1587 125.8785 62.9500 37.9396 175.9149 108 D 5.0699 8.1836 120.5254 52.4221 44.5499 173.9845 109 F 5.1920 8.9025 124.6133 56.5470 41.6953 174.9484 110 F 4.1609 7.4063 123.3293 54.3038 40.7874 173.2288 111 P 4.1030 0.0000 0.0000 63.1071 32.3169 176.3441 112 S 5.2186 8.4334 117.7722 57.0662 64.6736 173.8679 113 N 5.6276 8.2225 113.9165 53.7130 37.5048 174.0675 114 N 4.7244 7.6677 112.5431 54.1023 39.4724 175.5600 115 F 4.4179 7.9587 116.6631 57.2135 41.0192 175.0026 116 I 4.6589 8.6172 120.8320 59.3649 40.5775 174.9400 117 V 4.8068 8.4056 125.5002 61.0451 34.7497 173.5395 118 E 5.3479 9.2377 128.5719 54.7157 32.0304 175.0981 119 D 5.4112 9.0362 126.8170 52.0489 41.8602 177.4395 120 T 4.0693 8.4285 108.1596 64.0275 68.7514 175.3336 121 K 4.2049 8.1407 120.5345 56.1262 32.0104 177.5373 122 G 4.1692 8.6774 108.1868 44.9119 0.0000 173.8276 123 K 4.5064 7.9484 118.9138 55.7171 34.9052 175.4183 124 L 5.2569 8.2050 121.2701 53.3513 44.1423 175.3072 125 Y 4.7115 9.2858 120.6507 56.4996 41.0961 174.8452 126 Y 4.6957 8.7999 120.6688 55.7315 41.2048 174.4066 127 D 4.5351 8.6513 116.0998 54.0652 38.7435 174.8004 128 V 3.3175 7.6161 118.7383 62.5271 31.7002 174.0119 129 N 4.9592 8.6466 126.5408 52.5621 39.4604 174.0217 130 L 4.7876 8.4301 124.3590 54.3279 42.8041 178.7400 131 S 4.2809 9.1183 116.3079 60.3334 62.8259 174.7997 132 D 4.6352 8.0730 117.8077 52.9276 39.6034 176.8868 133 Q 4.0364 9.4584 118.4685 56.2252 27.0283 172.2755 134 N 5.4226 7.7921 113.5148 51.9119 43.0723 173.8138 135 W 4.9029 8.9493 130.7715 56.6867 34.7012 172.8513 136 C 3.9918 7.4048 119.7739 56.8146 32.7191 171.7265 137 D 4.4095 7.9513 118.5471 53.3592 45.1084 172.5719 138 Y 4.9080 8.3201 119.8708 55.6820 41.7233 174.5870 139 N 4.6842 8.4583 125.3060 52.5553 38.5090 175.0405 140 E 4.0898 8.7585 126.6050 59.3949 30.0647 178.6958 141 E 4.0465 8.4755 117.2773 59.4176 29.4954 177.5409 142 H 4.5947 8.2259 111.7077 54.3798 29.2072 173.2720 143 E 3.1121 7.5767 120.2870 56.6238 26.6638 173.2323 *145 C 4.6034 8.1420 118.6447 59.3999 29.8078 173.4557 146 V 4.5906 8.6775 122.8173 61.0994 34.2468 174.5077 147 G 4.4203 9.2045 113.6027 44.9238 0.0000 171.5055 148 I 5.2883 9.3045 123.1059 59.5900 40.6315 174.2529 149 Y 4.9225 9.0486 124.5754 56.0907 41.6378 174.9100 150 N 4.0691 8.9354 119.0529 54.6418 37.7659 174.4454 151 L 4.2316 8.2465 120.3710 55.2861 43.2263 176.8075 152 E 4.6769 9.1667 125.5907 54.8767 33.5832 174.2665 153 Y 5.9558 7.7721 118.7634 56.7570 41.2293 173.2181 154 E 4.9669 9.8623 117.3234 55.2118 33.6323 174.0269 155 V 4.9025 8.5121 120.5391 61.3466 34.0434 174.9974 156 N 4.7089 8.9319 124.6344 53.4151 39.2793 174.4398 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 H 8.44 4.80 0.00 3.00 3.27 0.00 5.63 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 H 7.83 4.88 0.00 3.20 3.17 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.60 4.99 0.00 3.19 3.16 0.00 5.65 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 K 8.47 4.58 0.00 1.74 1.75 0.00 0.61 0.00 0.00 1.85 0.00 0.00 2.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.35 7.81 3 N 8.72 5.12 0.00 2.70 2.72 0.00 0.00 6.88 7.70 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 4 T 9.28 4.83 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 1.21 0.00 0.00 5 V 8.56 4.78 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 1.07 0.00 0.00 0.92 0.00 0.00 6 V 9.14 4.88 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 0.67 0.00 0.00 1.10 0.00 0.00 7 R 9.25 5.52 0.00 1.96 2.10 0.00 3.37 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 8 I 8.94 5.32 1.69 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.14 0.71 0.00 0.00 9 K 8.29 4.72 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.87 0.98 7.81 10 A 8.55 4.83 1.03 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 0.00 0.00 11 E 9.12 4.89 0.00 2.22 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 0.00 2.25 2.26 0.00 12 L 9.57 5.23 0.00 1.62 1.63 1.00 1.21 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 13 E 8.93 4.40 0.00 2.14 1.99 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 2.27 2.45 0.00 14 N 8.83 4.46 0.00 3.11 2.90 0.00 0.00 6.55 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 15 V 7.83 4.66 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 0.96 0.00 0.00 1.18 0.00 0.00 16 K 9.00 4.47 0.00 1.90 1.82 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.38 7.81 17 R 7.78 5.23 0.00 1.95 1.97 0.00 2.21 0.00 0.00 2.96 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 18 L 9.01 5.44 0.00 1.80 1.71 0.57 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 19 F 9.17 5.86 0.00 3.28 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 20 C 8.80 4.99 0.00 2.70 2.49 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 21 D 8.05 5.29 0.00 2.91 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 22 D 8.66 4.46 0.00 2.69 2.80 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 23 E 7.96 4.06 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 2.32 2.33 0.00 24 Y 7.29 3.45 0.00 2.71 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 6.52 4.00 0.00 1.26 1.00 0.79 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 26 W 8.52 4.40 0.00 2.28 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 27 I 7.88 5.55 1.85 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 1.17 1.13 0.74 0.00 0.00 28 F 8.67 5.60 0.00 2.98 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 29 N 9.80 5.47 0.00 2.90 2.92 0.00 0.00 6.70 7.57 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 30 I 8.99 5.23 2.08 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.13 0.93 0.00 0.00 31 R 8.78 5.03 0.00 1.89 1.71 0.00 3.06 0.00 0.00 3.03 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.50 0.00 32 D 7.92 3.82 0.00 1.58 1.65 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 33 S 8.99 4.75 0.00 3.95 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 0.00 34 T 8.03 4.41 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 1.18 0.00 0.00 35 S 7.12 4.41 0.00 3.89 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 36 S 8.35 4.31 0.00 3.84 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 37 L 7.39 4.30 0.00 1.22 1.72 1.08 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.49 5.27 4.43 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 1.26 0.00 0.00 39 R 9.21 4.73 0.00 2.11 1.94 0.00 3.20 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 40 D 8.98 5.06 0.00 2.61 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.53 3.95 0.00 2.64 2.76 0.00 0.00 7.19 8.08 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 42 I 7.82 4.21 1.31 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.62 0.81 0.00 0.00 43 Q 8.44 5.33 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.79 0.00 0.00 0.00 0.00 0.00 2.17 2.46 0.00 44 F 8.96 5.17 0.00 3.54 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 45 R 9.31 5.48 0.00 2.09 1.94 0.00 3.14 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.55 0.00 46 K 9.22 4.58 0.00 1.56 1.73 0.00 1.25 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.40 1.35 7.81 47 T 7.76 4.40 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 1.30 0.00 0.00 48 D 8.24 4.56 0.00 2.98 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 49 I 8.46 4.53 1.89 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 1.38 0.86 0.92 0.00 0.00 50 L 8.81 4.69 0.00 1.50 1.47 0.77 0.87 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 51 E 8.72 4.41 0.00 1.79 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 2.28 2.25 0.00 52 I 8.02 3.94 1.82 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 1.16 0.42 0.86 0.00 0.00 53 P 0.00 4.14 0.00 1.74 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *63 I 8.09 3.72 1.51 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.57 0.14 0.00 0.00 64 K 8.18 4.40 0.00 1.08 1.46 0.00 1.26 0.00 0.00 1.49 0.00 0.00 2.59 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 0.87 7.81 65 W 8.66 4.41 0.00 3.34 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 66 T 7.53 4.84 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 1.35 0.00 0.00 67 E 8.80 3.94 0.00 1.90 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 1.83 1.90 0.00 68 Y 7.55 4.35 0.00 3.04 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 69 P 0.00 4.58 0.00 2.22 2.15 0.00 3.84 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 2.00 1.98 0.00 70 K 7.83 4.54 0.00 1.70 1.76 0.00 1.86 0.00 0.00 1.67 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.39 7.81 71 Y 8.73 4.81 0.00 2.90 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 72 S 9.32 5.18 0.00 3.86 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 73 T 8.92 5.14 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 1.21 0.00 0.00 74 I 8.98 5.02 1.54 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 1.14 1.26 0.82 0.00 0.00 75 N 9.11 5.46 0.00 2.59 2.70 0.00 0.00 6.37 8.52 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 76 F 9.50 4.11 0.00 3.15 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.84 4.06 1.72 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 0.64 0.00 0.00 0.75 0.00 0.00 78 N 8.76 4.53 0.00 2.76 2.85 0.00 0.00 6.95 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 79 T 8.00 4.64 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 1.06 0.00 0.00 80 K 8.42 4.28 0.00 1.88 1.84 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.39 7.81 81 N 8.72 4.13 0.00 2.80 2.86 0.00 0.00 6.91 7.57 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 82 S 7.59 4.13 0.00 3.98 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 83 C 8.72 2.45 0.00 3.08 2.84 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 84 S 7.31 5.19 0.00 3.82 3.69 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 85 Y 9.54 4.97 0.00 3.25 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 86 E 8.98 5.10 0.00 1.93 1.75 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 2.19 2.22 0.00 87 E 8.84 3.86 0.00 2.11 1.95 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 1.20 0.00 0.00 121 K 8.14 4.20 0.00 1.90 1.69 0.00 1.24 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.26 7.81 122 G 8.68 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 0.00 0.00 0.00 0.00 123 K 7.95 4.51 0.00 1.80 1.94 0.00 0.61 0.00 0.00 1.39 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.48 1.48 7.81 124 L 8.21 5.26 0.00 1.53 1.27 1.08 0.90 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 0.00 125 Y 9.29 4.71 0.00 2.81 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 0.00 126 Y 8.80 4.70 0.00 2.89 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 0.00 127 D 8.65 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 0.00 128 V 7.62 3.32 1.72 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 -0.42 0.00 0.00 0.24 0.00 0.00 129 N 8.65 4.96 0.00 2.74 2.82 0.00 0.00 7.02 7.78 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 0.00 130 L 8.43 4.79 0.00 1.51 1.40 0.08 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 131 S 9.12 4.28 0.00 3.95 4.04 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 0.00 132 D 8.07 4.64 0.00 2.79 2.82 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 0.00 133 Q 9.46 4.04 0.00 2.38 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 134 N 7.79 5.42 0.00 2.51 2.49 0.00 0.00 6.64 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 0.00 135 W 8.95 4.90 0.00 3.42 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 0.00 136 C 7.40 3.99 0.00 2.66 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 0.00 137 D 7.95 4.41 0.00 1.99 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 0.00 0.00 0.00 0.00 138 Y 8.32 4.91 0.00 2.85 2.79 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 0.00 139 N 8.46 4.68 0.00 2.82 2.61 0.00 0.00 7.22 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 0.00 140 E 8.76 4.09 0.00 2.05 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 0.00 2.46 2.37 0.00 141 E 8.48 4.05 0.00 2.10 1.88 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 2.28 2.27 0.00 142 H 8.23 4.59 0.00 3.05 3.27 0.00 6.00 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 E 7.58 3.11 0.00 2.10 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 2.43 2.46 0.00 *145 C 8.14 4.60 0.00 2.94 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 0.00 146 V 8.68 4.59 1.73 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 1.08 0.00 0.00 0.91 0.00 0.00 147 G 9.20 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 0.00 0.00 0.00 0.00 148 I 9.30 5.29 2.00 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 1.29 0.90 0.83 0.00 0.00 149 Y 9.05 4.92 0.00 2.80 2.80 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 0.00 150 N 8.94 4.07 0.00 2.80 2.80 0.00 0.00 7.10 8.61 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 0.00 151 L 8.25 4.23 0.00 1.54 1.59 0.66 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 152 E 9.17 4.68 0.00 1.35 1.65 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 2.07 2.22 0.00 153 Y 7.77 5.96 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 0.00 154 E 9.86 4.97 0.00 1.96 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 1.85 2.29 0.00 155 V 8.51 4.90 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 0.89 0.00 0.00 1.21 0.00 0.00 156 N 8.93 4.71 0.00 2.72 2.60 0.00 0.00 6.64 7.08 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 * Residues marked with a * may have inaccurate shift predictions.