NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3180 8.2549 120.8650 56.0153 31.2779 174.2177 3 K 4.7062 8.3314 121.0535 53.8458 35.1405 174.6850 4 C 4.9015 9.1244 124.3763 55.7914 45.1725 172.3902 5 S 4.8262 9.1040 120.5958 56.4336 63.7957 174.1960 6 L 3.9276 8.6326 126.7354 57.6219 41.4701 178.1127 7 T 3.9118 7.7691 116.0129 63.3471 69.1030 174.0238 8 G 3.8737 7.4615 112.2126 43.8590 0.0000 171.4833 9 K 4.9850 7.9004 118.6945 54.3909 34.7871 175.8048 10 W 5.4685 9.3981 123.4395 55.2897 33.6403 174.1303 11 T 5.6135 9.6705 116.0436 59.7473 71.3558 172.1697 12 N 5.8420 8.7222 121.8470 49.9098 40.4823 174.2252 13 D 4.3513 8.8962 117.0885 56.7510 39.2625 177.0121 14 L 4.1312 8.0069 118.3728 55.0289 42.2829 177.0927 15 G 3.9773 8.1591 105.6582 46.2289 0.0000 174.0597 16 S 4.5119 8.4108 116.1591 58.5798 64.5132 172.8206 17 N 5.2080 9.3564 120.3381 52.1315 41.8648 172.5546 18 M 4.9146 9.1276 126.6245 53.9164 35.1633 174.1302 19 T 5.0019 8.6451 122.7711 61.8305 71.4966 173.1679 20 I 4.6021 8.7415 127.7409 59.4225 40.1469 176.6085 21 G 4.2658 8.7719 114.7394 45.3376 0.0000 173.0656 22 A 4.2728 8.8180 121.9760 51.5117 18.9775 177.4296 23 V 4.4323 8.1062 120.9964 60.0962 32.8928 176.1604 24 N 4.7696 8.6803 122.7419 51.4854 38.8436 175.8389 25 S 4.0707 8.6265 113.4550 61.7021 62.7778 175.7948 26 R 4.2689 8.5041 117.2823 55.8472 29.9628 177.3985 27 G 4.0198 8.6011 107.4337 45.4177 0.0000 173.4720 28 E 4.7971 7.9993 119.5117 56.1796 31.1566 175.5451 29 F 5.3548 8.1558 116.5801 56.1660 42.0280 172.7116 30 T 4.9713 8.4381 109.0422 60.1689 73.0861 172.5982 31 G 3.7236 7.8622 106.9979 46.1562 0.0000 171.9986 32 T 5.1574 7.8960 108.2787 60.0988 72.9371 172.4026 33 Y 4.8143 9.4407 124.4806 56.2916 41.7028 174.1570 34 T 5.3904 9.2565 125.3555 62.2186 70.7942 173.8602 35 T 5.1593 9.0928 115.9019 59.8690 72.7248 173.2078 36 A 4.9436 8.5537 124.0689 51.5188 20.2742 177.6001 37 V 4.2830 8.3726 114.9315 63.0458 36.4011 175.1211 *42 N 4.6981 8.1086 114.1720 52.7529 37.9456 176.3067 43 E 4.0924 6.8191 123.8503 56.8237 29.6888 175.3036 44 I 5.0946 8.0351 123.3558 59.2687 41.2511 174.9984 45 K 4.8654 9.2512 123.2338 54.7493 36.6772 175.0135 46 E 5.4883 8.9813 120.9219 54.9201 32.0075 175.3222 47 S 5.0275 9.1052 117.6908 56.1176 67.5347 171.9355 48 P 5.1165 0.0000 0.0000 62.6883 33.0990 174.8003 49 L 5.3459 8.6659 120.2017 54.8465 44.3470 174.6617 50 H 5.0371 8.7501 114.7093 55.1113 32.2486 173.0294 51 G 4.1613 7.5561 106.2435 46.5247 0.0000 172.0329 52 T 5.1476 8.4957 110.7147 60.2912 72.8480 172.5974 53 E 5.2353 9.1054 124.1774 54.3241 31.7620 175.2253 54 N 4.5651 9.3371 126.6457 53.8744 39.7409 174.6186 55 T 4.5742 8.3527 113.2170 61.1260 69.8431 175.5614 56 I 3.7299 8.1467 124.4583 64.6890 37.1528 176.4220 57 N 4.9839 7.7050 115.2793 53.8398 40.1156 174.3162 58 K 3.8554 7.9728 113.6519 57.4550 30.3304 175.8037 59 R 4.1726 7.6058 116.4644 56.3274 31.1524 178.0199 60 T 4.1467 8.4680 110.4528 63.9215 69.4630 173.6121 61 Q 5.2755 7.8233 120.3105 52.2493 28.6691 173.2229 62 P 4.6425 0.0000 0.0000 62.5487 33.6013 176.7338 63 T 4.8129 8.3651 111.3506 61.6889 71.1809 172.9030 64 F 5.1770 8.2394 116.4609 56.8386 41.8341 172.6881 65 G 4.7070 9.4403 104.9503 45.6031 0.0000 172.0978 66 F 5.4668 8.7715 115.3621 55.9935 42.2051 172.8690 67 T 4.9779 8.9193 116.0645 61.7803 71.5454 173.3056 68 V 4.3019 8.7012 126.3863 61.2732 33.4971 174.3825 69 N 4.8160 8.1479 128.2030 51.0761 37.6522 173.0616 70 W 4.3490 7.8249 121.7861 56.9440 29.2963 176.1328 71 K 4.2913 9.0464 123.7301 57.5338 32.1374 177.6655 72 F 4.9764 7.6138 112.2891 56.0302 38.0745 174.7794 73 S 4.5420 7.3261 113.1198 58.0322 64.6897 173.9810 74 E 4.2927 8.5773 122.4089 57.1129 29.6090 177.0926 75 S 4.8028 7.9464 115.9672 58.4882 64.4045 173.6747 76 T 4.8458 8.7947 116.7900 62.3394 72.7429 173.4073 77 T 5.1877 8.4401 121.6104 61.8741 72.1854 173.4055 78 V 4.9356 8.7098 118.4201 59.5921 35.3204 174.7023 79 F 5.2454 8.8254 121.9733 56.0600 42.7921 174.0649 80 T 4.7137 8.6324 115.9981 60.8967 71.3745 173.5292 81 G 4.5320 6.9034 111.1081 46.6863 0.0000 171.4409 82 Q 4.8873 7.9846 119.6760 54.3199 33.2024 176.1564 83 C 4.7141 9.0428 126.2795 55.8490 45.1958 172.3081 84 F 5.4975 9.2827 125.8417 56.0225 41.8296 175.3352 85 I 4.6352 9.0259 122.8222 59.8276 37.8762 175.7264 86 D 4.6243 9.1970 127.8356 53.4183 41.9314 177.2445 87 R 3.9037 8.4778 120.9435 59.0202 30.0343 177.6057 88 N 4.5996 8.1625 112.7411 52.6692 37.5454 175.9877 89 G 3.9899 8.3783 108.2400 45.3443 0.0000 174.0664 90 K 4.4565 8.1734 119.3589 55.6648 34.0878 175.8874 91 E 4.9132 8.5676 120.3193 56.7785 30.4163 176.6456 92 V 5.0027 9.1806 115.8512 60.0344 37.0279 173.9953 93 L 5.0758 9.1556 124.7288 53.2832 43.8101 175.7980 94 K 5.0254 9.0016 125.2744 55.4294 33.4782 176.1467 95 T 5.3054 9.1032 115.0712 60.1722 72.8407 172.7599 96 M 5.3135 8.9793 121.0751 53.3405 36.3873 174.6061 97 W 5.4277 8.2985 117.9347 54.7085 32.6075 173.7203 98 L 5.2307 8.8692 119.9024 52.9025 44.8091 175.3240 99 L 5.0173 9.4012 126.5056 53.4409 44.3907 174.7293 100 R 4.9355 9.2857 128.0378 55.1519 31.6373 175.5065 101 S 4.9925 9.0237 122.9500 57.2241 65.0061 173.6417 102 S 4.5153 8.4830 117.0796 57.8794 62.8418 173.7841 103 V 4.5868 8.3073 119.2098 59.7121 34.8923 175.2021 104 N 4.5667 8.6889 118.5879 54.3011 39.4607 175.1770 105 D 4.8991 7.7247 117.7418 51.8134 43.4160 176.4316 106 I 3.8467 8.5781 126.5760 63.9250 38.0973 177.8123 107 G 3.6529 8.5008 108.6191 47.9447 0.0000 173.8944 108 D 4.7701 8.5437 119.2011 54.0582 41.2859 177.7487 109 D 4.3440 8.0290 121.8932 57.1050 41.4083 178.2048 110 K 3.8271 8.1718 118.9888 58.9380 32.0233 176.9942 111 K 4.4951 7.6290 114.7144 56.2176 32.4638 176.4812 112 A 4.4552 7.9993 120.9573 52.4803 19.1372 177.3938 113 T 5.1386 7.6937 113.0316 61.9024 71.0352 173.8074 114 R 4.8843 9.0995 125.9602 54.5542 33.0614 175.7315 115 V 4.3632 7.7382 119.8114 60.3097 34.9041 174.9051 116 G 3.2191 5.8220 106.9225 45.7038 0.0000 171.6698 117 I 5.0615 8.1351 112.4801 59.3666 41.1941 174.8885 118 N 5.0333 9.1950 118.8262 52.3395 43.4433 173.7342 119 I 5.0555 8.3636 124.2296 59.5583 40.0947 174.5001 120 F 5.5957 9.2688 125.6359 56.0085 42.3145 174.5930 121 T 5.4947 9.1825 111.0222 59.7428 72.7178 173.2828 122 R 3.7706 8.5228 121.5006 55.7302 30.7771 176.7675 123 L 4.0628 8.0827 124.3113 55.3783 42.0169 176.4605 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 2 R 8.25 4.32 0.00 1.81 1.93 0.00 3.19 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 3 K 8.33 4.71 0.00 1.74 1.69 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.52 7.81 4 C 9.12 4.90 0.00 3.06 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 5 S 9.10 4.83 0.00 3.88 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 6 L 8.63 3.93 0.00 1.31 1.18 -0.03 0.46 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 7 T 7.77 3.91 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 1.21 0.00 0.00 8 G 7.46 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 9 K 7.90 4.99 0.00 1.50 1.57 0.00 1.54 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.31 7.81 10 W 9.40 5.47 0.00 2.94 3.10 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 11 T 9.67 5.61 4.31 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 1.30 0.00 0.00 12 N 8.72 5.84 0.00 2.70 2.42 0.00 0.00 6.48 8.07 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 13 D 8.90 4.35 0.00 2.83 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 14 L 8.01 4.13 0.00 1.67 1.92 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.16 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 0.00 0.00 0.00 16 S 8.41 4.51 0.00 4.09 3.79 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 17 N 9.36 5.21 0.00 2.66 2.57 0.00 0.00 6.93 8.23 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 18 M 9.13 4.91 0.00 1.61 1.23 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 19 T 8.65 5.00 4.18 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 1.15 0.00 0.00 20 I 8.74 4.60 1.82 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.54 0.25 0.00 0.00 21 G 8.77 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 0.00 0.00 0.00 0.00 22 A 8.82 4.27 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 23 V 8.11 4.43 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 1.12 0.00 0.00 24 N 8.68 4.77 0.00 3.00 3.04 0.00 0.00 6.55 7.14 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 25 S 8.63 4.07 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 26 R 8.50 4.27 0.00 1.97 1.95 0.00 3.20 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 27 G 8.60 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.00 4.80 0.00 2.05 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 2.35 2.29 0.00 29 F 8.16 5.35 0.00 3.04 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 30 T 8.44 4.97 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 1.19 0.00 0.00 31 G 7.86 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 32 T 7.90 5.16 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 1.21 0.00 0.00 33 Y 9.44 4.81 0.00 2.87 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 34 T 9.26 5.39 4.35 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 0.00 0.00 0.00 1.25 0.00 0.00 35 T 9.09 5.16 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 1.83 0.00 0.00 36 A 8.55 4.94 1.23 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 0.00 0.00 0.00 37 V 8.37 4.28 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 0.68 0.00 0.00 0.45 0.00 0.00 *42 N 8.11 4.70 0.00 2.86 2.23 0.00 0.00 6.09 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 43 E 6.82 4.09 0.00 1.89 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 2.30 2.42 0.00 44 I 8.04 5.09 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 1.34 0.71 0.98 0.00 0.00 45 K 9.25 4.87 0.00 1.36 1.72 0.00 0.96 0.00 0.00 0.95 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.28 1.21 7.81 46 E 8.98 5.49 0.00 2.03 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 2.24 2.38 0.00 47 S 9.11 5.03 0.00 3.80 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 48 P 0.00 5.12 0.00 2.10 2.17 0.00 3.83 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 49 L 8.67 5.35 0.00 1.89 1.67 0.71 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.75 5.04 0.00 3.26 3.30 0.00 5.30 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 51 G 7.56 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 0.00 0.00 0.00 52 T 8.50 5.15 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 1.14 0.00 0.00 53 E 9.11 5.24 0.00 2.16 2.00 0.00 0.00 0.00 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 2.30 0.00 54 N 9.34 4.57 0.00 2.73 2.74 0.00 0.00 7.04 7.28 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 55 T 8.35 4.57 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 1.35 0.00 0.00 56 I 8.15 3.73 2.01 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 1.41 0.81 0.92 0.00 0.00 57 N 7.71 4.98 0.00 2.66 2.76 0.00 0.00 7.17 7.61 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 58 K 7.97 3.86 0.00 1.85 1.81 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.40 7.81 59 R 7.61 4.17 0.00 1.81 1.88 0.00 3.57 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 60 T 8.47 4.15 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 1.24 0.00 0.00 61 Q 7.82 5.28 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 7.08 0.00 0.00 0.00 0.00 0.00 2.34 2.23 0.00 62 P 0.00 4.64 0.00 2.19 2.20 0.00 3.69 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.99 0.00 63 T 8.37 4.81 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 1.14 0.00 0.00 64 F 8.24 5.18 0.00 3.61 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.44 4.71 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 66 F 8.77 5.47 0.00 3.18 3.26 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 67 T 8.92 4.98 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 1.15 0.00 0.00 68 V 8.70 4.30 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 -0.68 0.00 0.00 0.83 0.00 0.00 69 N 8.15 4.82 0.00 2.72 2.64 0.00 0.00 7.27 7.96 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 70 W 7.82 4.35 0.00 2.92 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 0.00 0.00 0.00 0.00 71 K 9.05 4.29 0.00 1.96 2.03 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.49 7.81 72 F 7.61 4.98 0.00 3.14 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 73 S 7.33 4.54 0.00 3.65 3.29 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 74 E 8.58 4.29 0.00 2.00 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 2.31 2.34 0.00 75 S 7.95 4.80 0.00 3.72 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 76 T 8.79 4.85 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 1.19 0.00 0.00 77 T 8.44 5.19 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 0.83 0.00 0.00 78 V 8.71 4.94 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 0.70 0.00 0.00 0.90 0.00 0.00 79 F 8.83 5.25 0.00 1.51 2.61 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 80 T 8.63 4.71 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 1.11 0.00 0.00 81 G 6.90 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 82 Q 7.98 4.89 0.00 1.78 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.90 0.00 0.00 0.00 0.00 0.00 1.39 2.08 0.00 83 C 9.04 4.71 0.00 3.07 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 84 F 9.28 5.50 0.00 3.06 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 85 I 9.03 4.64 1.97 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 1.21 0.88 0.98 0.00 0.00 86 D 9.20 4.62 0.00 2.78 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 87 R 8.48 3.90 0.00 1.83 1.98 0.00 3.23 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 88 N 8.16 4.60 0.00 2.82 2.93 0.00 0.00 6.16 7.00 0.00 0.00 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 G 8.38 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 90 K 8.17 4.46 0.00 2.02 1.98 0.00 1.38 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.73 1.50 7.81 91 E 8.57 4.91 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 92 V 9.18 5.00 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 0.88 0.00 0.00 1.19 0.00 0.00 93 L 9.16 5.08 0.00 1.76 1.77 -0.58 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 94 K 9.00 5.03 0.00 2.05 1.93 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.79 1.69 7.81 95 T 9.10 5.31 4.68 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 1.73 0.00 0.00 96 M 8.98 5.31 0.00 1.75 1.84 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 97 W 8.30 5.43 0.00 2.75 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 98 L 8.87 5.23 0.00 1.58 1.58 0.88 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 99 L 9.40 5.02 0.00 1.76 1.80 0.87 0.44 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 0.00 100 R 9.29 4.94 0.00 1.94 1.93 0.00 3.36 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 101 S 9.02 4.99 0.00 3.74 3.76 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 0.00 102 S 8.48 4.52 0.00 3.89 3.76 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 0.00 103 V 8.31 4.59 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 0.87 0.00 0.00 0.93 0.00 0.00 104 N 8.69 4.57 0.00 2.69 2.87 0.00 0.00 6.72 8.06 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 0.00 105 D 7.72 4.90 0.00 2.64 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 0.00 106 I 8.58 3.85 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 1.35 1.18 0.91 0.00 0.00 107 G 8.50 3.65 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 0.00 0.00 0.00 108 D 8.54 4.77 0.00 2.76 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 0.00 109 D 8.03 4.34 0.00 2.87 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 0.00 110 K 8.17 3.83 0.00 1.73 1.85 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.54 7.81 111 K 7.63 4.50 0.00 1.80 1.77 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.35 7.81 112 A 8.00 4.46 1.36 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 0.00 0.00 113 T 7.69 5.14 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 1.22 0.00 0.00 114 R 9.10 4.88 0.00 1.98 2.06 0.00 3.14 0.00 0.00 3.36 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 115 V 7.74 4.36 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 0.53 0.00 0.00 0.63 0.00 0.00 116 G 5.82 3.22 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 0.00 117 I 8.14 5.06 1.97 0.00 0.00 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 1.33 0.85 0.80 0.00 0.00 118 N 9.19 5.03 0.00 3.30 2.67 0.00 0.00 7.24 7.01 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 0.00 119 I 8.36 5.06 1.88 0.00 0.00 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 1.41 1.32 1.05 0.00 0.00 120 F 9.27 5.60 0.00 2.90 3.16 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 0.00 121 T 9.18 5.49 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 1.37 0.00 0.00 122 R 8.52 3.77 0.00 1.46 1.55 0.00 2.92 0.00 0.00 2.71 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.68 0.00 123 L 8.08 4.06 0.00 1.53 1.42 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.