NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4155 8.3344 116.7948 57.6481 63.6257 171.8317 2 S 4.3215 6.3754 118.6008 54.7412 70.0800 174.0855 3 S 4.6299 7.9862 116.0172 58.4329 65.5769 175.7273 4 E 4.9288 8.3401 116.2612 56.1321 32.4946 175.9493 5 D 4.8599 8.1317 121.6952 53.1223 45.1654 174.9815 6 K 4.2971 8.1716 116.9104 56.4240 35.0182 174.2378 7 I 4.5285 8.0118 118.2067 59.5325 41.3009 173.6826 8 T 4.9802 8.2848 117.3137 61.8428 71.3279 173.8703 9 V 4.9001 9.4533 125.7442 61.3633 35.2543 173.7435 *10 H 5.4956 9.5449 124.6535 54.0419 31.6161 172.9051 11 F 5.0499 9.6135 120.6952 55.7913 42.5288 174.3313 12 I 5.0368 9.8119 126.3478 59.5162 37.9355 175.3971 13 N 4.8294 8.9011 126.6749 53.6402 39.6578 175.8064 14 R 4.8487 8.6069 117.7525 57.8613 29.9118 177.4208 15 D 4.4307 8.0767 118.2456 56.2457 41.2201 176.1199 16 G 3.6099 7.5111 105.3942 45.0270 0.0000 174.0710 17 E 4.4002 7.9886 120.5418 56.7032 31.8582 175.4196 18 T 4.8252 8.2371 117.0389 63.4078 72.0091 173.7174 19 L 4.7341 10.1959 127.5813 53.6767 44.3082 175.9037 20 T 5.0709 8.4231 117.9111 62.1484 71.1733 173.4756 21 T 4.7500 9.8865 122.2714 60.1913 71.2044 172.3746 22 K 5.3551 8.2707 128.1514 54.4091 34.0440 175.0275 23 G 4.2927 8.9245 114.6143 44.5196 0.0000 176.7794 24 K 5.0700 9.2087 135.0000 56.1372 33.4910 171.6081 25 I 4.3679 7.0667 128.1609 64.4966 36.8969 173.4932 26 G 3.5421 8.8671 118.9784 45.2011 0.0000 174.3010 27 D 4.7251 8.6351 122.1176 53.3954 39.4730 175.5744 28 S 4.4771 8.6451 113.1025 57.8720 66.6420 173.9415 29 L 4.1580 8.4646 125.8645 56.1555 42.3364 176.1283 30 L 4.3613 8.9768 126.0328 56.0178 41.4283 176.1746 31 D 4.4442 7.8982 117.5935 57.3344 40.7559 179.0869 32 V 3.4850 7.6370 118.0055 65.9247 31.6601 177.9373 33 V 3.0425 7.3415 117.2751 65.9918 31.4184 177.8839 34 V 3.6075 8.5216 118.7832 66.1414 31.0249 177.8053 35 Q 4.1047 8.1363 116.9262 57.6363 28.5481 176.7904 36 N 4.6483 7.2753 116.1971 52.7554 39.0262 174.1304 37 N 4.0928 7.4852 114.8478 53.5255 37.8397 174.8354 38 L 3.2522 7.7899 110.4333 56.9332 38.7655 172.9995 39 D 4.7620 7.9024 127.2449 55.0080 42.2694 176.7385 40 I 4.6117 7.1569 113.7055 59.2631 37.6764 175.1845 41 D 4.6007 7.8408 119.7226 57.3981 40.7206 176.5712 42 G 3.7103 9.0668 120.9676 45.6963 0.0000 171.7584 43 F 3.8235 7.9054 123.0871 57.3870 39.5943 174.4247 44 G 4.1032 8.6752 110.5792 46.0885 0.0000 172.5819 45 A 4.5140 8.5255 120.1054 53.7531 20.8600 178.1459 46 C 4.2521 7.9276 108.2717 59.3593 29.5381 174.5823 47 E 3.7347 7.8106 120.8677 55.9926 29.2678 174.7018 48 G 4.0949 8.5172 104.8274 47.8681 0.0000 173.9428 49 T 4.2880 7.2930 107.2026 60.5819 69.2663 173.1877 50 L 3.4942 8.3041 123.2646 54.0110 37.4964 173.4527 51 A 4.6339 7.4674 122.2127 51.5869 20.7495 177.2767 52 C 4.5211 7.5951 113.5636 60.9173 33.1740 175.3497 53 S 3.7985 8.2385 110.7272 58.6790 60.4933 171.2331 54 T 4.6080 7.4985 106.1338 61.8446 69.8359 174.3821 55 C 4.3078 7.4706 123.8000 58.1215 30.3724 172.4410 *56 H 4.1343 9.1611 119.9750 54.7708 28.8791 173.3364 57 L 4.8267 8.3941 121.9019 53.2917 47.0909 174.7751 58 I 4.1146 8.5581 120.7373 59.9258 39.0751 175.3569 59 F 5.4386 7.6565 124.4187 55.5514 41.3092 175.4735 60 E 4.2525 8.6234 122.0909 56.0767 30.9713 176.2525 61 Q 4.3452 8.4755 122.9332 57.4195 29.2363 176.7726 *62 H 4.3340 9.1173 116.8088 56.1636 27.7260 176.2204 63 I 4.1418 7.7508 120.9624 63.7131 37.2329 177.3480 64 F 4.5935 8.4152 121.2159 61.5416 38.9892 176.6435 65 E 3.0064 7.9203 114.8522 58.1895 29.4621 178.3897 66 K 4.1072 7.0409 118.7565 57.6128 33.0195 177.3825 67 L 3.9551 7.4743 117.8821 54.8784 42.1633 177.0064 68 E 4.0837 8.4289 120.3901 56.0381 30.0863 176.5666 69 A 4.4135 8.0936 123.4294 51.7865 19.7451 176.2029 70 I 4.6904 7.7559 116.9117 58.7846 41.4664 175.6705 71 T 4.3944 8.1053 115.0506 60.9072 71.9037 174.7751 72 D 4.3509 8.4714 119.6167 56.6296 39.5873 177.5846 73 E 3.8882 8.1816 120.3794 59.2835 29.6500 178.3952 74 E 3.9736 7.8437 118.0037 59.1854 29.4409 178.1339 75 N 4.3013 7.7431 116.0757 56.6903 39.2259 176.0477 76 D 4.4396 8.1185 119.3735 57.5799 41.2238 177.8054 77 M 4.1675 7.6798 117.0039 57.3658 32.3725 176.4582 78 L 4.3808 7.6840 117.4225 56.5684 41.3978 177.7279 79 D 4.4305 8.2899 120.5336 56.5563 39.7014 178.4890 80 L 3.8297 8.1392 118.5546 56.9353 41.7834 177.6922 81 A 4.0049 7.2328 119.5117 52.7764 18.7777 176.5250 82 Y 4.1879 8.6019 118.7246 58.1767 39.3392 175.8490 83 G 3.8305 8.4974 110.0769 45.9031 0.0000 173.6015 84 L 3.6941 7.8703 119.4460 54.6612 41.6689 178.1379 85 T 4.1239 7.8784 115.4529 61.1159 70.5506 173.8840 86 D 4.5679 8.3537 120.9337 55.0439 41.6069 177.3901 87 R 2.6711 7.7560 113.8503 56.1032 31.0811 173.8801 88 S 4.2457 7.2653 113.4495 57.4425 64.4384 172.9197 89 R 4.5162 7.2673 123.5579 55.1520 35.5459 173.7348 90 L 4.4553 8.6356 122.8263 55.0109 43.2044 176.0895 91 G 4.1474 8.4037 119.5018 43.8037 0.0000 173.9603 92 C 4.1564 8.8419 112.6776 60.1646 25.7030 171.7623 93 Q 4.4718 8.0794 116.3236 56.3470 32.5285 173.9298 94 I 3.0220 8.2521 110.4180 62.8005 38.1867 172.3220 95 C 5.1183 8.0004 113.9690 57.2573 32.4321 174.2296 96 L 4.3207 8.8180 121.2426 55.5010 42.6921 176.3083 97 T 4.9544 8.1605 110.2135 59.5401 72.0077 174.9251 98 K 4.1069 8.7891 120.3451 59.0452 32.1609 178.4266 99 A 4.4483 7.9036 119.7446 52.7253 18.6886 177.2286 100 M 4.4958 8.4257 116.2642 55.0162 32.5278 174.9404 101 D 4.5363 7.3405 118.8110 54.9188 38.1476 175.4881 102 N 4.3279 8.9877 127.5253 54.5099 37.6950 174.2747 103 M 4.2556 8.4033 115.3033 55.3674 32.6805 175.2628 104 T 4.9158 8.9515 120.3702 62.2411 70.5154 174.2243 105 V 5.5726 8.8263 117.3505 58.9450 36.7876 174.1885 106 R 4.6157 8.4583 120.7632 54.7745 34.1880 174.3231 107 V 4.6127 9.0381 125.3929 60.3453 32.7441 174.0282 108 P 4.4278 0.0000 0.0000 62.8120 31.3804 176.5375 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 S 8.33 4.42 0.00 3.88 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 2 S 6.38 4.32 0.00 3.85 3.68 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 3 S 7.99 4.63 0.00 4.01 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 4 E 8.34 4.93 0.00 1.93 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 2.06 2.15 0.00 5 D 8.13 4.86 0.00 2.50 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.17 4.30 0.00 1.70 1.74 0.00 1.54 0.00 0.00 1.76 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.19 1.30 7.81 7 I 8.01 4.53 1.87 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 1.44 0.75 0.91 0.00 0.00 8 T 8.28 4.98 4.34 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 1.23 0.00 0.00 9 V 9.45 4.90 2.45 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 0.96 0.00 0.00 0.98 0.00 0.00 *10 H 9.54 5.50 0.00 2.76 2.93 0.00 5.61 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 11 F 9.61 5.05 0.00 2.91 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 12 I 9.81 5.04 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 1.13 1.35 0.97 0.00 0.00 13 N 8.90 4.83 0.00 2.90 2.74 0.00 0.00 6.92 7.67 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 14 R 8.61 4.85 0.00 1.95 2.30 0.00 2.65 0.00 0.00 3.87 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 15 D 8.08 4.43 0.00 2.69 2.77 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 16 G 7.51 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.99 4.40 0.00 1.93 1.96 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 2.41 2.30 0.00 18 T 8.24 4.83 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 1.25 0.00 0.00 19 L 10.20 4.73 0.00 1.78 1.60 0.95 0.59 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 20 T 8.42 5.07 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 1.24 0.00 0.00 21 T 9.89 4.75 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 1.42 0.00 0.00 22 K 8.27 5.36 0.00 1.99 1.82 0.00 1.22 0.00 0.00 2.37 0.00 0.00 2.73 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.28 7.81 23 G 8.92 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 24 K 9.21 5.07 0.00 1.97 1.78 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.25 7.81 25 I 7.07 4.37 1.87 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 1.29 0.57 0.91 0.00 0.00 26 G 8.87 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.64 4.73 0.00 2.79 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 28 S 8.65 4.48 0.00 3.97 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 29 L 8.46 4.16 0.00 1.83 1.83 0.96 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.98 4.36 0.00 1.98 1.98 1.18 1.31 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 31 D 7.90 4.44 0.00 2.76 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 32 V 7.64 3.49 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 1.01 0.00 0.00 0.98 0.00 0.00 33 V 7.34 3.04 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 -0.25 0.00 0.00 34 V 8.52 3.61 2.13 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 1.02 0.00 0.00 0.91 0.00 0.00 35 Q 8.14 4.10 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 36 N 7.28 4.65 0.00 2.68 2.68 0.00 0.00 7.10 7.53 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 37 N 7.49 4.09 0.00 2.87 2.86 0.00 0.00 7.29 7.45 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 38 L 7.79 3.25 0.00 1.66 1.62 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.90 4.76 0.00 2.57 2.63 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 40 I 7.16 4.61 2.06 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 1.67 0.54 1.14 0.00 0.00 41 D 7.84 4.60 0.00 2.65 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 42 G 9.07 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 0.00 0.00 0.00 43 F 7.91 3.82 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.68 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.53 4.51 1.28 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 46 C 7.93 4.25 0.00 3.13 3.33 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 47 E 7.81 3.73 0.00 2.13 2.29 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 2.19 2.29 0.00 48 G 8.52 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 49 T 7.29 4.29 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 1.28 0.00 0.00 50 L 8.30 3.49 0.00 1.85 1.83 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.47 4.63 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 52 C 7.60 4.52 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 53 S 8.24 3.80 0.00 4.02 3.98 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 0.00 0.00 0.00 54 T 7.50 4.61 4.41 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 1.27 0.00 0.00 55 C 7.47 4.31 0.00 2.92 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 0.00 0.00 0.00 *56 H 9.16 4.13 0.00 3.15 3.11 0.00 5.73 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.39 4.83 0.00 1.74 1.70 0.88 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.56 4.11 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.04 0.76 0.00 0.00 59 F 7.66 5.44 0.00 3.00 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 60 E 8.62 4.25 0.00 2.34 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 2.33 2.31 0.00 61 Q 8.48 4.35 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 5.50 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 *62 H 9.12 4.33 0.00 3.20 3.42 0.00 5.51 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.75 4.14 2.12 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 1.65 0.95 0.90 0.00 0.00 64 F 8.42 4.59 0.00 3.35 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 65 E 7.92 3.01 0.00 1.92 1.80 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 2.20 2.30 0.00 66 K 7.04 4.11 0.00 1.78 1.86 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.63 7.81 67 L 7.47 3.96 0.00 1.80 1.58 0.26 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.43 4.08 0.00 1.95 1.90 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 2.30 2.24 0.00 69 A 8.09 4.41 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 70 I 7.76 4.69 1.95 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 1.52 0.89 0.96 0.00 0.00 71 T 8.11 4.39 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 72 D 8.47 4.35 0.00 2.90 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 73 E 8.18 3.89 0.00 2.06 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 2.40 2.39 0.00 74 E 7.84 3.97 0.00 2.20 1.96 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 2.35 2.35 0.00 75 N 7.74 4.30 0.00 2.98 3.00 0.00 0.00 7.18 8.97 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 76 D 8.12 4.44 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 77 M 7.68 4.17 0.00 2.07 2.09 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 2.62 2.53 0.00 78 L 7.68 4.38 0.00 1.90 2.02 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.29 4.43 0.00 2.84 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 80 L 8.14 3.83 0.00 1.67 1.85 0.96 0.76 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 81 A 7.23 4.00 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 82 Y 8.60 4.19 0.00 2.84 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 83 G 8.50 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 84 L 7.87 3.69 0.00 1.56 1.61 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.88 4.12 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 1.18 0.00 0.00 86 D 8.35 4.57 0.00 2.58 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 87 R 7.76 2.67 0.00 1.83 1.94 0.00 2.75 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.59 0.00 88 S 7.27 4.25 0.00 3.55 3.53 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 89 R 7.27 4.52 0.00 1.90 2.09 0.00 3.33 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 90 L 8.64 4.46 0.00 1.62 1.64 0.94 1.13 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 91 G 8.40 4.15 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 0.00 0.00 0.00 92 C 8.84 4.16 0.00 3.21 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 93 Q 8.08 4.47 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 5.97 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 94 I 8.25 3.02 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.41 0.91 0.00 0.00 95 C 8.00 5.12 0.00 2.81 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 96 L 8.82 4.32 0.00 1.67 1.59 1.01 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.16 4.95 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 1.22 0.00 0.00 98 K 8.79 4.11 0.00 1.83 1.90 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.44 7.81 99 A 7.90 4.45 1.25 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 0.00 0.00 100 M 8.43 4.50 0.00 1.94 2.19 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 2.46 2.54 0.00 101 D 7.34 4.54 0.00 2.82 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 0.00 102 N 8.99 4.33 0.00 2.85 3.04 0.00 0.00 7.19 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 0.00 103 M 8.40 4.26 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 104 T 8.95 4.92 4.45 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 1.20 0.00 0.00 105 V 8.83 5.57 2.20 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 0.63 0.00 0.00 0.26 0.00 0.00 106 R 8.46 4.62 0.00 1.84 1.70 0.00 3.13 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 107 V 9.04 4.61 2.27 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 0.97 0.00 0.00 1.23 0.00 0.00 108 P 0.00 4.43 0.00 2.25 2.02 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 * Residues marked with a * may have inaccurate shift predictions.