NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3740 8.4401 118.7912 56.4445 31.1052 174.6927 3 A 4.4439 8.3805 121.5188 51.5830 22.6596 173.1766 4 K 4.9379 8.6562 114.5751 55.7294 36.7349 173.6772 5 A 4.7382 8.2067 124.1294 50.7857 22.6566 175.6484 6 I 5.0198 7.4255 115.1688 62.4551 41.3263 170.5727 7 A 4.2848 7.9063 123.4274 51.4959 20.9650 175.7858 8 R 4.7947 8.4151 130.8463 56.8995 28.7052 179.2270 9 Y 3.7330 8.1834 108.4050 59.1530 34.6703 174.9732 10 V 4.1189 8.1380 123.1884 60.9011 31.3010 174.7764 11 R 3.9883 8.7574 127.0044 57.1471 29.8785 176.8012 12 I 3.9330 7.7260 125.9302 60.0025 39.8425 175.0271 13 S 4.2937 7.9367 116.5003 58.7285 60.3417 173.1236 14 P 3.9422 0.0000 0.0000 65.1811 31.7985 177.8566 15 R 3.2545 8.4061 111.0294 59.6129 30.4028 179.2380 16 K 3.9214 9.1084 115.8798 58.7441 32.7213 180.1490 17 V 3.0427 8.2908 116.4584 64.3434 32.9306 178.4002 18 R 3.8644 9.0740 117.8355 59.2523 29.9612 178.4311 19 L 4.0282 8.2568 117.5826 58.6621 41.9568 180.5654 20 V 2.5970 8.2086 108.2759 64.3607 33.0281 176.7779 21 V 3.4561 9.4016 110.4148 64.7046 32.7445 178.2881 22 D 4.4124 7.5476 121.9314 56.0737 42.1057 177.0035 23 L 4.3737 7.8722 119.6331 54.9669 41.6330 179.4529 24 I 3.4507 9.1417 113.0674 63.5175 38.8262 174.6485 25 R 3.6837 9.7619 119.1904 51.2357 32.9087 174.4964 26 G 4.6820 7.6812 106.7534 45.1029 0.0000 173.1955 27 K 4.4332 8.5725 124.8881 54.6965 36.9814 174.4158 28 S 4.2327 8.3618 116.2028 57.7003 63.1637 173.8422 29 L 4.3074 9.1075 123.6554 55.3708 41.8130 180.7240 30 E 3.3368 8.7085 113.4391 58.4369 31.0274 176.3846 31 E 3.7612 9.2422 118.7082 59.4168 29.8892 178.1607 32 A 4.0003 7.6038 120.2206 55.5199 18.8059 179.7497 33 R 3.8424 7.1844 113.6865 58.5226 30.9109 177.2236 34 N 4.9449 8.2997 115.3916 53.3846 40.5804 176.0642 35 I 3.7127 9.3828 121.5327 64.6912 37.0237 178.2618 36 L 3.8303 7.7476 118.9236 57.4158 42.1420 178.8482 37 R 3.8751 8.0604 118.2454 58.9831 30.0223 176.5744 38 Y 5.0426 8.0466 111.7374 57.8603 39.7830 177.6116 39 T 4.6927 8.2535 119.4543 61.2940 67.9941 172.7938 40 N 5.0390 8.7454 119.5216 53.1043 40.3250 177.4530 41 K 4.7800 8.4817 110.2787 53.1201 33.8355 174.3128 42 R 4.0905 8.3604 114.9077 54.2888 29.8639 179.8302 43 G 3.7187 9.2197 98.3384 47.2096 0.0000 175.6465 44 A 3.1696 10.6000 112.1884 51.9829 20.1501 180.7827 45 Y 3.1932 9.2249 118.0029 55.1435 41.9857 175.4014 46 F 3.6798 10.0522 110.1204 60.4517 39.7912 179.1246 47 V 3.3754 7.0586 122.9570 66.4036 32.7970 176.3545 48 A 3.7191 8.8768 119.5293 56.2006 17.6988 180.4188 49 K 4.0013 8.3677 111.5266 57.6807 33.2955 177.6703 50 V 3.6641 7.4205 117.5444 64.4580 32.1411 177.2026 51 L 4.4975 9.1139 118.4164 55.8159 42.6430 178.4973 52 E 3.9725 9.0663 119.7284 59.2254 29.6832 178.8325 53 S 4.3280 7.9098 113.1836 60.6407 62.7098 175.6593 54 A 4.1096 7.8690 124.2295 53.9450 18.3319 178.7300 55 A 3.8958 8.5177 119.1475 54.5901 19.0729 179.3731 56 A 3.7945 9.4275 117.7407 53.8417 17.9626 181.3365 57 N 3.7103 6.0349 117.3592 54.8571 43.2107 176.1607 58 A 4.3271 8.1870 116.1565 53.2303 17.7629 181.5047 59 V 3.2429 8.1886 118.0568 67.1256 33.6152 175.5633 60 N 4.4873 7.9261 114.5406 55.9250 38.3594 175.9038 61 N 5.0068 9.0762 112.0078 53.0058 40.4754 174.7229 62 H 4.6374 8.9516 114.3522 54.3484 30.1826 173.6616 63 D 3.7517 7.9155 117.6537 55.0340 39.8787 173.0097 *65 L 4.0495 8.0158 117.4014 54.4514 42.1269 178.1241 66 E 4.0683 8.7789 127.6904 57.5456 29.4578 179.1240 67 D 3.6360 9.1917 110.8243 53.7900 42.8662 176.6547 68 R 3.6194 8.4616 122.2860 57.1315 30.4276 176.3337 69 L 5.3763 12.0000 119.6316 53.1595 44.5540 174.7381 70 Y 4.9338 6.8069 115.2826 58.4959 41.1128 174.1314 71 V 4.8733 8.2217 105.3094 57.3805 32.4953 175.3711 72 K 4.4967 8.1883 124.9957 59.6947 32.3230 176.2329 73 A 4.7396 7.7105 116.3615 51.3194 22.3747 175.1239 74 A 5.0612 8.5681 120.4875 51.0940 22.3474 175.1511 75 Y 5.1020 8.8398 118.7210 56.0423 42.1250 173.9467 76 V 4.5248 8.2573 118.1758 60.2564 34.2752 174.0662 77 D 5.0893 8.3770 121.7921 52.6927 45.0898 174.3766 78 E 4.4378 8.5272 121.1664 54.6091 31.7732 175.9387 79 G 3.9343 8.6661 112.8682 47.4569 0.0000 172.5201 80 P 3.9297 0.0000 0.0000 57.8580 31.8048 174.8142 81 A 4.7618 8.1789 127.7536 50.8520 21.7761 178.0715 82 L 4.4065 8.4840 116.2245 57.4310 43.3932 176.9573 83 K 4.8764 6.7479 117.7191 53.2145 29.4447 174.9093 84 R 4.6793 9.5320 124.4532 54.2053 32.8940 175.9300 85 V 4.2333 8.4011 117.3315 61.2122 32.7376 175.5188 86 L 4.8548 7.8563 123.6295 52.5371 45.7526 173.6981 87 P 4.0342 0.0000 0.0000 63.5237 31.3437 175.5782 88 R 3.7405 9.4008 122.2873 58.0092 29.5135 178.0797 89 A 3.9628 10.6000 127.5246 55.9778 16.8519 178.0891 90 R 4.1008 12.0000 114.0981 57.7411 28.1776 176.5154 91 G 4.3468 7.5008 106.5488 46.1487 0.0000 173.8150 92 R 4.5636 7.5697 119.8938 53.0627 32.3516 176.0189 93 A 4.1970 8.3517 124.1885 52.6052 18.7505 177.3952 94 D 4.6902 8.3901 120.0745 52.8072 43.8048 174.1327 95 I 5.0567 8.5291 123.5363 59.2136 39.6862 175.8836 96 I 4.4909 7.8453 118.8653 60.1076 41.2074 174.3074 97 K 4.4722 8.2895 122.6686 55.8121 34.8005 176.8836 98 K 4.1174 8.6886 126.1005 56.4686 30.0099 176.7055 99 R 4.1172 8.7845 123.0764 57.5652 28.0238 175.0417 100 T 3.1963 7.4028 111.0819 57.0810 74.1572 172.8700 101 S 4.5734 7.3824 110.5777 58.6125 67.1901 176.7863 102 H 4.8097 9.7178 123.5844 55.9571 30.6479 175.3106 103 I 4.7662 7.9348 119.4038 61.0508 39.9957 174.4909 104 T 5.2087 7.7837 117.4567 59.5718 71.9215 174.5836 105 V 4.6854 7.5718 111.7946 61.0787 35.6147 172.0778 106 I 4.3724 9.1378 127.8024 61.5479 38.8389 175.4118 107 L 5.4994 8.3795 125.9554 54.4142 43.6585 174.4447 108 G 4.3021 7.7094 110.9674 43.5488 0.0000 169.1467 109 E 4.4166 8.6739 118.9816 56.3174 30.6653 176.2949 110 K 5.0342 10.5640 125.1817 56.1855 33.3117 173.8626 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 E 8.44 4.37 0.00 2.00 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 2.16 2.30 0.00 3 A 8.38 4.44 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 4 K 8.66 4.94 0.00 1.60 1.68 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.42 7.81 5 A 8.21 4.74 1.21 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 0.00 0.00 0.00 6 I 7.43 5.02 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 1.24 1.03 0.88 0.00 0.00 7 A 7.91 4.28 1.30 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 0.00 0.00 8 R 8.42 4.79 0.00 2.12 1.37 0.00 4.05 0.00 0.00 3.56 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.66 0.00 9 Y 8.18 3.73 0.00 2.94 3.25 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 10 V 8.14 4.12 2.47 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 1.47 0.00 0.00 1.15 0.00 0.00 11 R 8.76 3.99 0.00 1.87 1.86 0.00 3.55 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 12 I 7.73 3.93 1.75 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.12 0.81 0.00 0.00 13 S 7.94 4.29 0.00 3.85 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 14 P 0.00 3.94 0.00 2.07 2.00 0.00 3.61 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.38 0.00 15 R 8.41 3.25 0.00 1.85 1.79 0.00 3.16 0.00 0.00 3.33 8.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 16 K 9.11 3.92 0.00 1.90 1.66 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 17 V 8.29 3.04 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 1.15 0.00 0.00 1.04 0.00 0.00 18 R 9.07 3.86 0.00 2.07 2.00 0.00 3.23 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 19 L 8.26 4.03 0.00 1.76 1.78 0.93 0.83 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 20 V 8.21 2.60 2.17 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 0.87 0.00 0.00 1.02 0.00 0.00 21 V 9.40 3.46 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 0.80 0.00 0.00 1.03 0.00 0.00 22 D 7.55 4.41 0.00 2.89 2.73 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 23 L 7.87 4.37 0.00 1.67 1.26 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 24 I 9.14 3.45 1.90 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 0.73 0.94 0.00 0.00 25 R 9.76 3.68 0.00 2.01 1.96 0.00 3.33 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 1.68 1.69 0.00 26 G 7.68 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 0.00 0.00 0.00 0.00 27 K 8.57 4.43 0.00 1.98 2.06 0.00 1.71 0.00 0.00 1.94 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.49 7.81 28 S 8.36 4.23 0.00 3.95 3.95 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 0.00 0.00 0.00 29 L 9.11 4.31 0.00 1.82 0.88 0.93 0.89 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 30 E 8.71 3.34 0.00 2.12 2.21 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 2.35 2.33 0.00 31 E 9.24 3.76 0.00 2.06 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 0.00 2.34 2.30 0.00 32 A 7.60 4.00 1.35 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 0.00 0.00 0.00 33 R 7.18 3.84 0.00 2.08 2.03 0.00 3.13 0.00 0.00 3.24 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 34 N 8.30 4.94 0.00 2.95 2.91 0.00 0.00 6.91 8.24 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 35 I 9.38 3.71 1.94 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 1.55 1.09 0.94 0.00 0.00 36 L 7.75 3.83 0.00 1.64 1.74 0.96 0.91 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 37 R 8.06 3.88 0.00 1.86 1.88 0.00 3.01 0.00 0.00 2.74 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.40 0.00 38 Y 8.05 5.04 0.00 3.10 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 39 T 8.25 4.69 4.36 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 1.31 0.00 0.00 40 N 8.75 5.04 0.00 2.67 1.86 0.00 0.00 6.90 6.68 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 41 K 8.48 4.78 0.00 1.82 1.78 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.53 7.81 42 R 8.36 4.09 0.00 1.77 1.19 0.00 3.08 0.00 0.00 2.99 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 43 G 9.22 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 A 10.60 3.17 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.22 3.19 0.00 3.23 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 46 F 10.05 3.68 0.00 3.31 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 47 V 7.06 3.38 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 0.84 0.00 0.00 1.05 0.00 0.00 48 A 8.88 3.72 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 49 K 8.37 4.00 0.00 1.61 1.65 0.00 1.39 0.00 0.00 1.42 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.48 7.81 50 V 7.42 3.66 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 0.95 0.00 0.00 0.90 0.00 0.00 51 L 9.11 4.50 0.00 2.01 1.65 0.97 0.89 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 52 E 9.07 3.97 0.00 1.73 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 2.34 2.41 0.00 53 S 7.91 4.33 0.00 3.80 3.85 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 54 A 7.87 4.11 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 55 A 8.52 3.90 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 56 A 9.43 3.79 1.20 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 0.00 0.00 57 N 6.03 3.71 0.00 3.02 2.76 0.00 0.00 7.33 8.48 0.00 0.00 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 A 8.19 4.33 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 59 V 8.19 3.24 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 0.81 0.00 0.00 0.92 0.00 0.00 60 N 7.93 4.49 0.00 3.00 2.86 0.00 0.00 6.92 7.89 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 61 N 9.08 5.01 0.00 2.62 2.79 0.00 0.00 6.96 8.04 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 62 H 8.95 4.64 0.00 3.08 3.26 0.00 5.82 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.92 3.75 0.00 2.72 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 *65 L 8.02 4.05 0.00 1.93 1.70 0.93 0.87 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 66 E 8.78 4.07 0.00 1.92 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 2.29 2.30 0.00 67 D 9.19 3.64 0.00 3.04 3.02 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 68 R 8.46 3.62 0.00 2.09 1.98 0.00 3.13 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 69 L 12.00 5.38 0.00 1.66 1.61 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 6.81 4.93 0.00 3.39 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 71 V 8.22 4.87 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 1.17 0.00 0.00 1.19 0.00 0.00 72 K 8.19 4.50 0.00 1.80 1.88 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.60 7.81 73 A 7.71 4.74 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 74 A 8.57 5.06 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 75 Y 8.84 5.10 0.00 2.99 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 76 V 8.26 4.52 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 0.77 0.00 0.00 0.97 0.00 0.00 77 D 8.38 5.09 0.00 2.68 2.65 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 78 E 8.53 4.44 0.00 1.96 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 2.19 2.26 0.00 79 G 8.67 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 0.00 0.00 0.00 80 P 0.00 3.93 0.00 1.87 1.71 0.00 3.53 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.03 0.00 81 A 8.18 4.76 1.18 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 0.00 0.00 82 L 8.48 4.41 0.00 1.63 1.57 0.85 1.01 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 83 K 6.75 4.88 0.00 1.76 1.80 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.49 7.81 84 R 9.53 4.68 0.00 1.76 1.78 0.00 3.71 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 85 V 8.40 4.23 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 0.67 0.00 0.00 0.92 0.00 0.00 86 L 7.86 4.85 0.00 1.69 1.55 0.91 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.03 0.00 2.03 2.03 0.00 3.70 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 2.03 2.12 0.00 88 R 9.40 3.74 0.00 1.86 2.02 0.00 3.14 0.00 0.00 3.53 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 89 A 10.60 3.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 12.00 4.10 0.00 1.99 2.08 0.00 3.20 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 91 G 7.50 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 0.00 0.00 0.00 0.00 92 R 7.57 4.56 0.00 1.86 1.82 0.00 3.13 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 93 A 8.35 4.20 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 94 D 8.39 4.69 0.00 2.54 2.56 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 0.00 0.00 0.00 0.00 95 I 8.53 5.06 1.70 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 1.03 0.96 0.88 0.00 0.00 96 I 7.85 4.49 1.85 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 1.33 0.75 0.90 0.00 0.00 97 K 8.29 4.47 0.00 1.59 1.72 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.45 7.81 98 K 8.69 4.12 0.00 1.60 1.76 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.69 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.40 7.81 99 R 8.78 4.12 0.00 1.67 2.08 0.00 3.35 0.00 0.00 3.35 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.57 0.00 100 T 7.40 3.20 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 1.13 0.00 0.00 101 S 7.38 4.57 0.00 4.02 3.78 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 0.00 102 H 9.72 4.81 0.00 3.26 3.10 0.00 5.64 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.93 4.77 1.90 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 1.29 0.80 0.89 0.00 0.00 104 T 7.78 5.21 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 0.50 0.00 0.00 105 V 7.57 4.69 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 0.72 0.00 0.00 1.00 0.00 0.00 106 I 9.14 4.37 2.12 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 1.12 1.18 0.85 0.00 0.00 107 L 8.38 5.50 0.00 1.60 1.40 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.71 4.30 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 0.00 0.00 0.00 109 E 8.67 4.42 0.00 1.97 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 2.20 2.30 0.00 110 K 10.56 5.03 0.00 2.07 2.06 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.