NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3645 8.3044 118.1957 54.9462 32.8761 175.6552 2 D 4.4863 8.0112 119.5728 53.6451 43.2852 174.1096 3 I 3.8619 9.2442 117.6297 64.6901 38.1089 177.0741 4 K 3.7513 7.7586 118.3976 60.8267 32.3875 178.7187 5 S 4.2329 7.6810 114.3167 60.5541 62.7469 176.5082 6 Q 3.9904 7.9877 123.6179 59.4849 28.8214 178.1039 7 T 3.5573 7.8277 110.1762 64.4535 68.9096 176.6555 8 L 3.9214 7.4071 120.8044 57.6226 41.8908 178.5524 9 Y 4.4243 8.4893 119.9719 60.8877 38.9203 177.4650 10 L 3.6078 8.6453 121.0297 58.1336 41.7299 179.5324 11 N 4.6731 8.8078 118.0570 55.5212 38.3135 177.4572 12 L 4.0290 8.3287 120.9159 57.8852 41.6703 179.6912 13 S 4.3588 8.0870 114.3734 61.8865 62.3635 176.4384 14 E 3.9858 8.7623 121.2625 59.2477 28.8807 179.5155 15 A 4.6818 8.3311 122.4616 54.9318 18.5085 178.7939 16 Y 4.1777 8.6915 118.0179 60.7394 38.7342 177.8337 17 K 3.9443 7.4933 116.7722 55.8901 33.2182 176.4950 18 D 4.3178 9.7792 121.4350 54.1616 40.6773 175.4181 19 P 4.1813 0.0000 0.0000 65.2760 31.4878 177.4394 20 E 4.8798 8.0554 115.0326 55.8874 29.9165 176.2724 21 V 4.2339 8.8455 121.6546 63.8935 33.7020 177.8975 22 K 3.7613 8.1454 117.8248 59.3700 32.0050 178.0305 23 A 4.1297 7.4916 120.3160 54.5555 18.8798 178.4050 24 N 4.8319 7.8518 115.7265 51.3305 35.9287 174.8825 25 E 4.1187 8.3231 124.5142 59.5770 29.8753 177.8020 26 F 4.2019 8.3390 119.9484 61.1120 39.6224 176.9983 27 L 3.7676 8.4967 119.4328 57.3017 41.4502 179.4931 28 S 4.3362 7.9898 114.0097 61.3897 63.2950 176.1944 29 K 3.7956 8.8542 123.9141 59.8284 32.0457 178.9801 30 L 3.8571 7.6349 120.1016 57.4118 41.5187 179.6597 31 V 3.6945 7.6363 117.9580 66.0609 31.3731 177.8690 32 V 3.3872 8.5096 119.6559 65.3134 31.1258 177.5888 33 Q 3.9203 8.6638 118.2519 59.8229 28.5806 178.3851 34 C 4.1320 8.4918 120.8898 61.8074 31.6869 175.1234 35 A 3.8676 8.3230 122.8853 55.3208 17.6494 179.9367 36 G 3.4476 8.1250 103.7494 47.4453 0.0000 176.0130 37 K 3.8175 7.7462 119.8590 58.8047 32.1951 178.9866 38 L 4.1256 7.3231 119.7165 57.3529 41.3386 178.8869 39 T 3.9206 6.5857 108.5287 64.7037 68.6607 175.3347 40 A 4.3386 7.7069 123.7996 51.5447 18.8341 179.0083 41 S 3.5083 8.2077 117.9142 62.5513 62.5895 175.8708 42 N 4.1891 8.1930 116.5599 56.3975 38.9975 176.2322 43 S 4.6093 8.5618 117.6546 57.1810 59.9192 175.0789 44 E 3.9843 8.1151 122.6282 59.6952 29.5532 178.8345 45 N 4.4018 8.1211 117.6141 56.3764 38.9982 176.5314 46 S 4.0393 7.8228 114.1526 60.8780 62.6463 174.9857 47 Y 4.2040 8.6752 122.5103 59.8823 38.5693 177.4188 48 I 3.5581 8.0873 121.4675 64.0616 37.0339 178.0680 49 E 3.9287 7.7123 121.2694 58.7585 29.4275 179.7411 50 V 3.6088 7.4956 118.6074 64.6202 31.1400 178.3451 51 I 3.5362 7.7833 121.4318 64.0247 36.6177 178.1093 52 S 4.1397 8.2882 113.6724 60.8113 62.5800 175.4709 53 L 4.3138 8.0705 120.9713 56.0312 41.4843 179.0541 54 L 3.9186 7.7621 119.9626 57.8001 41.5767 179.1633 55 S 4.5025 7.5458 113.1426 60.9907 62.8403 175.7050 56 R 4.3991 7.7895 117.3702 56.2395 30.7077 177.9390 57 G 3.4970 8.2381 107.2533 47.8026 0.0000 175.4851 58 I 3.5176 7.3253 121.1372 62.3631 37.9429 176.8764 59 S 4.4111 7.3809 112.6835 58.6513 63.8845 175.5038 60 S 4.1636 7.9053 116.6952 60.5028 62.2492 174.8917 61 Y 4.4599 7.6199 119.7965 57.9385 37.9626 177.4362 62 Y 3.9411 7.9381 116.4734 56.4517 37.8570 178.8330 63 L 3.3338 8.6173 117.4937 56.8301 41.9377 176.9170 64 S 4.3619 8.8517 111.6513 59.4423 63.1715 173.5099 65 H 4.8881 8.5197 121.5568 53.9280 29.0899 172.9889 66 K 4.1727 7.6024 120.7104 56.5779 33.4225 177.4288 67 R 4.3397 7.8318 120.1010 56.3277 31.3876 172.3366 68 I 4.0622 7.5849 112.9902 59.1111 38.9542 175.5797 69 I 3.6072 7.7998 131.6939 61.2498 35.1124 169.9051 70 P 4.1027 0.0000 0.0000 63.9625 30.9313 181.5482 71 S 3.1982 7.6411 117.2466 60.5111 64.7761 175.0133 72 S 4.4180 8.3232 115.4215 59.6807 62.0928 174.4213 73 M 4.8209 8.0236 119.9855 54.6053 32.7444 174.9757 74 L 4.7245 7.6336 119.1337 54.9632 49.1499 176.4376 75 T 3.8363 7.8043 112.6903 64.6890 67.1421 176.2536 76 I 3.8409 7.6004 121.9228 64.3532 37.0028 177.4620 77 Y 4.1198 7.9384 117.9861 60.5476 37.6509 178.3444 78 T 3.3058 6.8018 114.6589 64.7633 67.3237 175.9962 79 Q 4.0155 8.4333 120.6680 59.1851 28.5598 179.1064 80 I 3.6459 8.3211 121.2051 64.5219 37.0302 178.3693 81 Q 4.0829 7.9446 118.5520 58.3645 28.5477 178.5545 82 K 3.9916 8.4369 120.1569 59.2201 31.9398 179.1246 83 D 4.2562 8.8876 120.2653 57.5070 40.8336 178.4634 84 I 4.0532 7.5966 120.4191 64.3954 36.9211 178.3845 85 K 3.9865 8.3526 120.8067 59.5612 32.2242 178.4085 86 N 4.5899 8.7801 116.2236 53.8381 38.7253 175.3000 87 G 3.8430 7.9307 107.7543 46.5597 0.0000 174.3092 88 N 4.6480 9.0575 119.5081 53.5756 39.6886 175.9483 89 I 4.5589 7.4905 117.1113 59.8677 39.9833 175.7549 90 D 4.7329 8.2635 123.8544 52.9466 39.3917 177.8100 91 T 3.7440 7.7707 111.5196 64.2897 68.8471 175.9704 92 E 3.9963 8.1237 121.9595 59.0837 29.5455 179.0204 93 K 4.0029 8.8565 119.7862 60.2226 32.9261 179.1866 94 L 4.3923 8.1206 120.4851 57.4346 41.3139 179.5020 95 R 4.4741 8.4523 120.2827 58.8312 29.8724 178.8083 96 K 4.0118 7.8177 118.4511 59.6265 32.2750 178.8372 97 Y 4.2155 8.7355 120.4014 60.4142 38.6910 177.5321 98 E 3.4272 8.8896 119.8785 58.8384 29.5417 179.2574 99 I 3.5753 7.4198 120.7936 64.2177 37.0885 177.9298 100 A 4.2602 7.5468 118.7497 53.6552 18.2097 178.4581 101 K 4.2805 7.2320 114.6789 54.9919 34.5194 176.4116 102 G 3.8302 8.5490 106.8112 46.5053 0.0000 172.9507 103 L 4.3471 7.3677 119.2983 54.1895 44.2981 175.2357 104 M 4.6113 7.9936 118.0547 56.1994 33.6125 176.8859 105 S 4.1713 8.8647 113.6909 60.9590 63.4188 178.0582 106 V 2.8305 6.8958 115.4694 63.3130 27.8974 171.6674 107 P 4.6778 0.0000 0.0000 62.3146 31.5536 176.3875 108 Y 4.7532 6.9792 114.6869 56.8249 38.1735 175.1189 109 I 3.6600 7.3856 112.2508 62.0223 37.2375 174.8349 110 Y 4.4631 8.6782 123.2023 59.3836 38.4973 175.6696 111 F 3.9470 7.8217 124.2126 58.0520 39.1302 175.7618 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 4.36 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.95 0.00 2 D 8.01 4.49 0.00 2.65 2.57 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 0.00 0.00 0.00 0.00 3 I 9.24 3.86 1.86 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 1.40 0.62 0.90 0.00 0.00 4 K 7.76 3.75 0.00 1.81 1.83 0.00 1.52 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.71 1.54 7.81 5 S 7.68 4.23 0.00 3.64 3.47 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 6 Q 7.99 3.99 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 7 T 7.83 3.56 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 1.20 0.00 0.00 8 L 7.41 3.92 0.00 1.91 1.85 1.21 0.92 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 9 Y 8.49 4.42 0.00 2.98 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 10 L 8.65 3.61 0.00 1.63 1.83 0.84 0.44 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 11 N 8.81 4.67 0.00 2.87 2.88 0.00 0.00 6.67 6.27 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 12 L 8.33 4.03 0.00 2.08 1.86 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.09 4.36 0.00 3.91 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 14 E 8.76 3.99 0.00 2.11 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 0.00 2.31 2.50 0.00 15 A 8.33 4.68 1.46 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 0.00 0.00 16 Y 8.69 4.18 0.00 2.90 3.36 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 17 K 7.49 3.94 0.00 1.79 1.88 0.00 1.68 0.00 0.00 1.86 0.00 0.00 3.13 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.53 1.43 7.81 18 D 9.78 4.32 0.00 2.89 2.62 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 19 P 0.00 4.18 0.00 2.14 2.11 0.00 3.54 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 20 E 8.06 4.88 0.00 1.94 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 0.00 2.23 2.26 0.00 21 V 8.85 4.23 2.14 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 1.14 0.00 0.00 0.88 0.00 0.00 22 K 8.15 3.76 0.00 1.72 1.78 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.59 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.28 7.81 23 A 7.49 4.13 1.29 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 24 N 7.85 4.83 0.00 2.88 2.88 0.00 0.00 6.56 6.96 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 25 E 8.32 4.12 0.00 2.14 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 2.57 0.00 26 F 8.34 4.20 0.00 3.14 3.15 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 0.00 0.00 0.00 27 L 8.50 3.77 0.00 1.83 1.60 0.87 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.99 4.34 0.00 4.32 4.38 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 29 K 8.85 3.80 0.00 2.02 2.60 0.00 1.62 0.00 0.00 1.98 0.00 0.00 3.02 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.67 1.58 7.81 30 L 7.63 3.86 0.00 1.49 1.57 0.66 0.81 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 31 V 7.64 3.69 2.36 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 0.92 0.00 0.00 0.95 0.00 0.00 32 V 8.51 3.39 2.14 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 0.73 0.00 0.00 0.39 0.00 0.00 33 Q 8.66 3.92 0.00 2.15 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 34 C 8.49 4.13 0.00 2.98 3.15 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 0.00 0.00 0.00 35 A 8.32 3.87 1.59 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 0.00 0.00 36 G 8.13 3.45 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 0.00 37 K 7.75 3.82 0.00 1.88 1.85 0.00 1.66 0.00 0.00 1.83 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.58 7.81 38 L 7.32 4.13 0.00 1.06 1.46 1.20 0.33 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 39 T 6.59 3.92 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 1.19 0.00 0.00 40 A 7.71 4.34 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 41 S 8.21 3.51 0.00 3.71 3.71 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 42 N 8.19 4.19 0.00 2.71 2.87 0.00 0.00 6.86 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 43 S 8.56 4.61 0.00 3.88 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 44 E 8.12 3.98 0.00 2.28 2.33 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 2.32 2.39 0.00 45 N 8.12 4.40 0.00 2.84 2.81 0.00 0.00 6.84 7.84 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 46 S 7.82 4.04 0.00 3.89 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 47 Y 8.68 4.20 0.00 2.96 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 48 I 8.09 3.56 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.28 0.90 0.00 0.00 49 E 7.71 3.93 0.00 1.85 1.70 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 1.65 2.00 0.00 50 V 7.50 3.61 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 0.79 0.00 0.00 0.89 0.00 0.00 51 I 7.78 3.54 1.39 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 -0.05 0.75 0.00 0.00 52 S 8.29 4.14 0.00 4.01 4.52 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 53 L 8.07 4.31 0.00 1.71 1.70 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.76 3.92 0.00 1.87 1.70 0.93 0.50 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 55 S 7.55 4.50 0.00 4.05 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 56 R 7.79 4.40 0.00 2.03 2.12 0.00 3.10 0.00 0.00 3.51 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 57 G 8.24 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.33 3.52 1.77 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.84 0.99 0.00 0.00 59 S 7.38 4.41 0.00 3.73 3.36 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 60 S 7.91 4.16 0.00 3.94 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 61 Y 7.62 4.46 0.00 3.34 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 62 Y 7.94 3.94 0.00 2.98 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 63 L 8.62 3.33 0.00 1.87 1.05 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.85 4.36 0.00 3.88 3.94 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 65 H 8.52 4.89 0.00 3.06 3.37 0.00 5.61 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.60 4.17 0.00 1.72 1.67 0.00 1.78 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.37 7.81 67 R 7.83 4.34 0.00 1.69 2.03 0.00 3.22 0.00 0.00 3.25 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 68 I 7.58 4.06 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.65 0.93 0.00 0.00 69 I 7.80 3.61 1.94 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.72 0.98 0.00 0.00 70 P 0.00 4.10 0.00 2.39 2.21 0.00 3.66 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 2.04 2.02 0.00 71 S 7.64 3.20 0.00 3.98 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 0.00 72 S 8.32 4.42 0.00 4.08 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 73 M 8.02 4.82 0.00 1.78 2.05 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 74 L 7.63 4.72 0.00 1.81 1.74 1.16 0.86 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 75 T 7.80 3.84 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 1.19 0.00 0.00 76 I 7.60 3.84 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 1.73 0.58 0.95 0.00 0.00 77 Y 7.94 4.12 0.00 3.32 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 78 T 6.80 3.31 3.70 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 1.13 0.00 0.00 79 Q 8.43 4.02 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.57 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 80 I 8.32 3.65 2.10 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 1.51 1.19 0.99 0.00 0.00 81 Q 7.94 4.08 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 82 K 8.44 3.99 0.00 1.70 1.93 0.00 1.46 0.00 0.00 1.42 0.00 0.00 2.62 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.55 7.81 83 D 8.89 4.26 0.00 2.85 2.78 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 0.00 0.00 0.00 0.00 84 I 7.60 4.05 2.00 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 1.40 1.00 0.90 0.00 0.00 85 K 8.35 3.99 0.00 1.89 1.83 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.53 7.81 86 N 8.78 4.59 0.00 2.82 2.87 0.00 0.00 7.17 6.12 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 87 G 7.93 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 0.00 0.00 0.00 88 N 9.06 4.65 0.00 2.68 2.92 0.00 0.00 6.76 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 89 I 7.49 4.56 1.93 0.00 0.00 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 1.57 0.92 1.04 0.00 0.00 90 D 8.26 4.73 0.00 2.75 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 91 T 7.77 3.74 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 1.23 0.00 0.00 92 E 8.12 4.00 0.00 2.05 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 0.00 2.42 2.58 0.00 93 K 8.86 4.00 0.00 1.97 2.09 0.00 1.38 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.52 7.81 94 L 8.12 4.39 0.00 1.88 1.84 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.45 4.47 0.00 1.86 2.09 0.00 3.18 0.00 0.00 3.26 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 96 K 7.82 4.01 0.00 1.90 1.87 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.75 1.61 7.81 97 Y 8.74 4.22 0.00 2.97 3.15 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 0.00 0.00 0.00 98 E 8.89 3.43 0.00 1.95 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 2.40 2.25 0.00 99 I 7.42 3.58 1.97 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 1.35 1.42 0.89 0.00 0.00 100 A 7.55 4.26 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.23 4.28 0.00 1.55 1.66 0.00 1.89 0.00 0.00 1.92 0.00 0.00 3.14 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.02 7.81 102 G 8.55 3.83 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 0.00 0.00 0.00 103 L 7.37 4.35 0.00 1.55 1.59 0.48 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 104 M 7.99 4.61 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 105 S 8.86 4.17 0.00 3.78 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 0.00 106 V 6.90 2.83 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 -0.32 0.00 0.00 0.84 0.00 0.00 107 P 0.00 4.68 0.00 2.24 2.11 0.00 3.91 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 2.05 1.99 0.00 108 Y 6.98 4.75 0.00 3.26 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 0.00 109 I 7.39 3.66 1.33 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.67 0.82 0.00 0.00 110 Y 8.68 4.46 0.00 3.13 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 0.00 111 F 7.82 3.95 0.00 3.06 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