NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 F 5.1551 8.1300 115.1756 56.3956 39.8617 176.7555 13 V 3.4259 8.1207 122.9043 66.8633 31.1825 175.3466 14 A 3.9966 8.7634 121.3433 55.2627 18.6370 178.8076 15 E 3.9711 8.2382 116.6430 59.6519 29.5062 179.5119 16 L 4.0559 8.3382 119.1704 57.6604 41.4745 178.9432 17 N 4.3304 8.4926 117.1463 56.4879 38.6383 175.8355 18 N 4.7336 7.7790 115.0407 54.0038 38.8487 175.3144 19 L 4.6734 7.8113 120.8348 54.1305 42.2589 176.0552 20 L 4.2218 7.3230 119.6274 56.4997 41.7567 178.0568 21 G 3.9704 9.1878 112.1496 45.3445 0.0000 173.4548 22 R 4.5788 7.8881 118.9893 54.6432 32.6617 174.9325 23 E 4.7631 8.5231 121.7242 55.9625 31.0045 175.6032 24 V 4.9681 9.0503 119.4208 59.6526 36.7204 173.9243 25 Q 5.0318 8.8276 122.7813 54.3683 31.9644 174.3133 26 V 4.7546 9.1783 125.8725 61.1652 34.4070 174.1445 27 V 4.3703 8.4662 128.8159 61.8694 32.8554 174.9601 28 L 5.3556 8.7544 128.1916 53.1745 43.9825 177.7598 29 S 4.4166 8.9737 115.3496 59.8900 63.2678 174.5406 30 N 4.6814 8.2135 118.0112 52.7954 37.4011 175.5318 31 G 4.0397 8.1748 108.8286 45.5535 0.0000 174.2879 32 E 4.2691 7.9041 118.5110 56.2183 31.4389 176.0300 33 V 4.7557 8.0194 120.8229 61.5281 34.8341 173.5058 34 Y 4.9704 9.0313 125.8033 56.0322 40.6403 174.6536 35 K 4.9420 8.7667 124.9571 54.7876 35.6391 175.4491 36 G 4.3310 8.4315 112.4968 46.0168 0.0000 171.8124 37 V 4.3665 7.8386 120.3693 62.3117 32.8721 175.4639 38 L 4.3592 8.9705 130.6956 55.8302 42.0687 176.2931 39 H 4.5672 9.0901 127.4818 58.0723 31.0084 175.1792 40 A 4.7185 7.5559 117.2198 50.8215 22.5259 175.4585 41 V 4.9329 8.3202 120.0055 61.3684 35.0592 174.1604 42 D 5.0774 8.3381 126.6375 51.1472 42.0019 176.5540 43 N 4.3004 8.5832 115.3909 56.3034 38.4442 176.3162 44 Q 3.8423 7.9917 114.4423 55.6402 29.0975 175.8052 45 L 3.7883 7.8720 116.9805 55.5875 39.4861 174.4255 46 N 4.9142 8.4184 115.7895 53.5979 39.9595 174.3469 47 I 4.9021 8.7179 121.6087 59.5798 41.6528 174.4356 48 V 4.6414 8.8484 125.8430 61.0219 34.1497 174.1665 49 L 5.2045 8.6732 127.2293 52.9087 44.8679 175.1479 50 A 4.9090 9.0835 124.4274 50.6591 21.6157 176.2672 51 N 4.1548 8.2039 117.1981 54.2508 36.7681 173.6801 52 A 5.2037 8.1214 120.5836 50.8017 22.3675 177.7383 53 S 5.8200 9.3772 113.1980 56.1233 67.2960 173.4189 54 N 5.2340 8.2955 118.6840 50.3549 39.6524 175.6554 55 K 3.8442 8.4268 117.1135 59.5832 32.0807 178.2046 56 A 4.1077 7.9119 118.4745 52.5198 18.2011 178.0514 57 G 3.9298 8.1787 104.8565 45.3245 0.0000 174.0809 58 E 4.1359 8.2231 119.9406 55.9843 30.7254 175.9804 59 K 5.1413 7.9709 121.5406 54.7151 35.5061 175.6250 60 F 4.7892 9.1207 121.5477 55.7761 43.0379 175.2494 61 N 4.6199 9.2018 121.8226 56.5483 39.9802 174.7743 62 R 4.9757 7.8637 115.1257 54.4085 34.5695 174.9766 63 V 4.0639 8.3431 122.4101 61.0990 34.5163 174.2185 64 F 4.7314 8.8859 127.3277 56.5463 39.6666 175.1054 65 I 4.3964 8.5195 131.3084 60.5020 39.7557 176.4341 *67 Y 4.7433 8.4902 119.1939 58.0848 39.7912 177.5495 68 R 3.5429 6.9911 118.0762 58.5498 30.3389 176.6978 69 Y 4.2892 7.7226 113.1438 57.6236 38.4148 174.3692 70 I 4.5274 7.5417 122.4261 60.6844 37.4220 175.9563 71 V 4.0666 8.9131 128.7529 65.5518 32.0864 175.4572 72 H 4.9802 7.7503 113.2829 54.8142 31.8269 171.9641 73 I 5.0808 8.2456 119.1077 59.6352 40.1986 174.7731 74 D 5.0356 9.0735 126.4465 52.2270 44.1375 175.5674 75 S 4.7174 8.7085 117.4027 58.6750 62.9319 173.6767 76 T 4.5801 8.1434 114.4921 61.4490 69.9370 173.8469 77 E 4.4884 8.1010 122.4013 55.0531 30.9225 176.0903 78 R 4.3292 8.2148 119.2515 55.1312 30.8819 176.4546 79 R 4.1492 8.1346 117.6384 55.7754 30.7584 176.9755 80 I 3.6744 7.8037 120.8463 61.3866 37.7323 176.0793 81 D 4.5091 8.2094 123.3297 53.7256 42.8203 176.7095 *83 R 3.7704 8.3959 117.3647 56.0489 31.9129 177.8772 84 E 4.0247 8.2092 117.5469 59.1100 29.4474 178.5557 85 F 3.7632 8.2842 120.5573 61.1467 39.4420 176.9496 86 A 4.0675 8.1307 119.8456 54.9670 18.0439 179.0765 87 K 3.8098 8.1892 117.3461 60.1335 32.4917 178.7398 88 Q 4.0917 8.4832 118.1156 58.7155 28.5271 178.4661 89 A 4.0049 8.1940 122.3630 55.0955 18.1270 179.3640 90 E 3.8918 8.1000 116.4343 59.6763 29.5916 179.4946 91 K 4.1064 7.7082 116.9569 58.4622 32.1332 177.8962 92 I 3.9448 7.3325 118.2123 61.6660 38.7002 175.8313 93 F 4.8848 8.2956 118.0656 54.0086 38.7692 172.0645 94 P 4.2821 0.0000 0.0000 64.1514 32.3748 176.8587 95 G 3.5705 8.5414 112.6064 46.1852 0.0000 173.8359 *97 V 4.1696 7.3367 115.7143 62.6751 33.2664 175.4168 98 K 4.6673 9.2904 126.8809 54.7459 35.2992 174.4540 99 Y 4.6796 8.7374 126.4661 56.6973 40.4031 174.2303 100 I 4.0502 8.0618 129.6445 59.4687 37.5127 176.4282 101 E 3.6920 8.3866 129.1752 58.6250 29.9204 177.5311 102 E 4.0345 8.1933 119.0363 58.8338 29.5224 177.1229 103 T 4.4569 7.1485 103.6418 60.0747 70.1891 172.5018 104 N 4.2048 7.8526 118.4344 55.1589 37.6244 173.4219 105 V 4.6477 7.2319 115.1540 60.8501 35.8327 174.0059 106 V 4.9111 8.8380 124.7867 61.1577 34.1931 174.1263 107 L 5.0362 9.2686 128.1436 53.3153 43.9561 175.7546 108 I 4.4447 8.4047 123.6420 60.3961 39.7577 175.9424 109 G 3.9120 8.6376 118.9897 45.3163 0.0000 171.4963 110 D 4.7567 8.6267 117.4615 53.2898 40.5478 176.8650 111 K 4.5066 7.9655 117.2739 55.8701 33.5514 175.4605 112 V 4.6602 7.4400 119.5227 60.9512 34.7742 174.2250 113 R 4.9822 8.9564 127.0366 54.4891 33.6866 173.7806 114 V 4.7298 9.0909 126.1967 61.1795 34.6509 174.8022 115 S 5.1012 8.5625 122.6345 56.1277 65.9617 174.6566 116 E 4.2231 8.9364 116.8356 57.9166 29.3930 177.2907 117 I 4.3989 8.8930 112.3049 59.5453 38.2144 175.3639 118 G 3.5080 6.4311 110.2661 45.0583 0.0000 171.3358 119 V 4.6039 7.2590 118.9878 60.7813 33.4077 174.3537 120 E 4.4883 9.9485 126.8552 54.6224 31.3598 175.1451 121 G 4.4085 7.8331 108.0047 43.6237 0.0000 172.5337 122 V 4.3635 7.8933 112.1842 59.8548 35.8182 174.7178 123 G 3.8833 8.6755 106.4801 44.0563 0.0000 172.8904 124 P 4.2972 0.0000 0.0000 65.4553 31.0797 179.2709 125 V 3.7361 7.7920 116.3492 66.0117 31.5445 177.7216 126 A 3.9958 7.9695 119.9910 55.2901 18.2510 179.2488 127 E 3.9468 8.3578 117.0461 59.6711 29.5571 179.6662 128 R 4.0578 8.3843 118.5130 59.2871 30.0632 178.4393 129 A 4.4362 8.5317 120.9214 55.0408 18.3011 179.7677 130 K 4.0278 8.3917 117.3297 59.7944 32.1200 179.8414 131 R 4.2306 8.2488 118.4365 58.9599 29.9875 178.9020 132 L 4.1143 8.3311 120.5000 58.0130 42.1252 178.5408 133 F 4.2145 8.9811 120.9663 61.7845 39.2993 176.9180 134 E 4.2033 8.9725 118.3415 59.5973 28.9990 179.3339 135 E 4.0057 8.1716 117.9020 59.4732 29.3801 179.0294 136 F 4.1197 8.4708 117.7092 60.5817 38.7463 177.7473 137 L 4.0959 8.0144 117.6619 57.6745 41.5160 179.3096 138 K 4.2057 8.2364 117.0024 58.2276 32.1299 177.3269 139 R 4.1258 7.5041 122.4305 56.3312 30.0857 176.1326 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 12 F 8.13 5.16 0.00 3.18 3.41 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 0.00 13 V 8.12 3.43 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 1.08 0.00 0.00 0.93 0.00 0.00 14 A 8.76 4.00 1.34 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 0.00 0.00 15 E 8.24 3.97 0.00 2.30 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 2.45 2.50 0.00 16 L 8.34 4.06 0.00 1.91 1.77 1.12 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.49 4.33 0.00 3.03 2.92 0.00 0.00 7.20 6.38 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 18 N 7.78 4.73 0.00 2.90 2.85 0.00 0.00 6.88 9.11 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 19 L 7.81 4.67 0.00 1.80 1.64 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.32 4.22 0.00 1.73 1.62 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 21 G 9.19 3.97 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 0.00 0.00 0.00 22 R 7.89 4.58 0.00 1.81 1.87 0.00 3.31 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 23 E 8.52 4.76 0.00 2.07 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 2.37 2.36 0.00 24 V 9.05 4.97 2.09 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 0.63 0.00 0.00 0.95 0.00 0.00 25 Q 8.83 5.03 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 26 V 9.18 4.75 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 1.02 0.00 0.00 0.98 0.00 0.00 27 V 8.47 4.37 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 0.98 0.00 0.00 0.82 0.00 0.00 28 L 8.75 5.36 0.00 1.72 1.65 1.00 0.77 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 29 S 8.97 4.42 0.00 4.09 4.07 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 30 N 8.21 4.68 0.00 2.84 2.92 0.00 0.00 6.34 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 31 G 8.17 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 0.00 0.00 0.00 32 E 7.90 4.27 0.00 2.11 1.87 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 2.42 2.47 0.00 33 V 8.02 4.76 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 1.00 0.00 0.00 0.92 0.00 0.00 34 Y 9.03 4.97 0.00 2.95 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 35 K 8.77 4.94 0.00 1.79 1.62 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.55 7.81 36 G 8.43 4.33 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 0.00 0.00 0.00 37 V 7.84 4.37 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 0.84 0.00 0.00 0.95 0.00 0.00 38 L 8.97 4.36 0.00 1.82 1.74 0.94 1.16 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 39 H 9.09 4.57 0.00 3.13 3.32 0.00 6.03 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.56 4.72 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 41 V 8.32 4.93 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 0.93 0.00 0.00 0.97 0.00 0.00 42 D 8.34 5.08 0.00 2.83 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 43 N 8.58 4.30 0.00 2.67 2.86 0.00 0.00 6.84 7.69 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 44 Q 7.99 3.84 0.00 2.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.06 2.23 0.00 45 L 7.87 3.79 0.00 1.77 1.90 0.99 0.55 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 46 N 8.42 4.91 0.00 3.02 2.86 0.00 0.00 6.81 6.67 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 47 I 8.72 4.90 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.03 0.93 0.00 0.00 48 V 8.85 4.64 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 0.52 0.00 0.00 0.98 0.00 0.00 49 L 8.67 5.20 0.00 1.52 1.51 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 50 A 9.08 4.91 1.16 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 51 N 8.20 4.15 0.00 2.82 2.84 0.00 0.00 6.85 8.19 0.00 0.00 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 A 8.12 5.20 1.42 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 53 S 9.38 5.82 0.00 3.88 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 54 N 8.30 5.23 0.00 2.38 1.80 0.00 0.00 6.74 6.83 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 55 K 8.43 3.84 0.00 1.66 1.87 0.00 1.56 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.46 7.81 56 A 7.91 4.11 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 57 G 8.18 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 58 E 8.22 4.14 0.00 2.06 1.57 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 2.30 2.31 0.00 59 K 7.97 5.14 0.00 1.43 1.59 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.45 7.81 60 F 9.12 4.79 0.00 2.99 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 61 N 9.20 4.62 0.00 2.81 2.87 0.00 0.00 6.96 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 62 R 7.86 4.98 0.00 1.68 1.27 0.00 3.12 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.52 0.00 63 V 8.34 4.06 1.84 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 0.47 0.00 0.00 0.76 0.00 0.00 64 F 8.89 4.73 0.00 2.91 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 65 I 8.52 4.40 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.83 0.94 0.00 0.00 *67 Y 8.49 4.74 0.00 3.28 3.49 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 68 R 6.99 3.54 0.00 1.27 1.26 0.00 2.92 0.00 0.00 3.03 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.94 0.00 69 Y 7.72 4.29 0.00 3.13 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 70 I 7.54 4.53 2.10 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.61 1.04 0.00 0.00 71 V 8.91 4.07 2.23 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 0.88 0.00 0.00 1.01 0.00 0.00 72 H 7.75 4.98 0.00 3.19 3.37 0.00 5.45 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.25 5.08 1.75 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 1.42 1.02 0.90 0.00 0.00 74 D 9.07 5.04 0.00 2.57 2.53 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 75 S 8.71 4.72 0.00 3.86 3.75 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 0.00 0.00 0.00 76 T 8.14 4.58 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 77 E 8.10 4.49 0.00 1.99 1.93 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 2.28 2.30 0.00 78 R 8.21 4.33 0.00 1.92 1.93 0.00 3.04 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 79 R 8.13 4.15 0.00 1.81 1.88 0.00 3.57 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 80 I 7.80 3.67 1.38 0.00 0.00 -0.39 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 0.16 0.19 0.00 0.00 81 D 8.21 4.51 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *83 R 8.40 3.77 0.00 1.87 1.72 0.00 2.99 0.00 0.00 3.02 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.98 0.00 84 E 8.21 4.02 0.00 2.31 2.26 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 2.55 2.78 0.00 85 F 8.28 3.76 0.00 2.65 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 86 A 8.13 4.07 1.49 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 0.00 0.00 87 K 8.19 3.81 0.00 1.77 2.08 0.00 1.80 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.50 7.81 88 Q 8.48 4.09 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.78 2.50 0.00 89 A 8.19 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 90 E 8.10 3.89 0.00 2.31 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 2.54 0.00 91 K 7.71 4.11 0.00 1.80 1.81 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.45 7.81 92 I 7.33 3.94 1.25 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 1.17 0.34 -0.23 0.00 0.00 93 F 8.30 4.88 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 94 P 0.00 4.28 0.00 2.06 2.05 0.00 3.82 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 95 G 8.54 3.57 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 0.00 0.00 0.00 *97 V 7.34 4.17 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 0.92 0.00 0.00 1.14 0.00 0.00 98 K 9.29 4.67 0.00 1.66 1.66 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.37 7.81 99 Y 8.74 4.68 0.00 3.17 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 0.00 100 I 8.06 4.05 1.66 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 1.00 0.74 0.78 0.00 0.00 101 E 8.39 3.69 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 2.34 2.49 0.00 102 E 8.19 4.03 0.00 1.90 1.91 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 2.26 2.29 0.00 103 T 7.15 4.46 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 1.17 0.00 0.00 104 N 7.85 4.20 0.00 2.93 2.96 0.00 0.00 6.88 7.76 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 0.00 105 V 7.23 4.65 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 0.99 0.00 0.00 0.95 0.00 0.00 106 V 8.84 4.91 2.24 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 1.15 0.00 0.00 1.27 0.00 0.00 107 L 9.27 5.04 0.00 1.58 1.53 0.89 0.79 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 0.00 108 I 8.40 4.44 1.65 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 1.12 1.00 0.21 0.00 0.00 109 G 8.64 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 0.00 0.00 0.00 110 D 8.63 4.76 0.00 2.76 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 0.00 111 K 7.97 4.51 0.00 1.69 1.80 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.36 7.81 112 V 7.44 4.66 2.15 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 0.94 0.00 0.00 0.88 0.00 0.00 113 R 8.96 4.98 0.00 1.84 1.65 0.00 3.05 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 114 V 9.09 4.73 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 0.49 0.00 0.00 1.00 0.00 0.00 115 S 8.56 5.10 0.00 3.90 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 0.00 116 E 8.94 4.22 0.00 2.09 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 0.00 2.28 2.32 0.00 117 I 8.89 4.40 1.87 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 1.20 0.66 0.93 0.00 0.00 118 G 6.43 3.51 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 0.00 0.00 0.00 119 V 7.26 4.60 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 0.88 0.00 0.00 0.78 0.00 0.00 120 E 9.95 4.49 0.00 1.95 1.77 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 2.17 2.15 0.00 121 G 7.83 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 0.00 0.00 0.00 0.00 122 V 7.89 4.36 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 0.74 0.00 0.00 0.92 0.00 0.00 123 G 8.68 3.88 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 0.00 0.00 0.00 124 P 0.00 4.30 0.00 2.23 2.17 0.00 3.63 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 2.14 2.17 0.00 125 V 7.79 3.74 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 0.65 0.00 0.00 0.99 0.00 0.00 126 A 7.97 4.00 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 0.00 127 E 8.36 3.95 0.00 2.20 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 2.56 2.49 0.00 128 R 8.38 4.06 0.00 2.15 2.44 0.00 3.21 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.83 0.00 129 A 8.53 4.44 1.57 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 0.00 0.00 130 K 8.39 4.03 0.00 2.04 2.07 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.70 7.81 131 R 8.25 4.23 0.00 2.10 2.06 0.00 3.30 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 132 L 8.33 4.11 0.00 2.15 2.19 0.38 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 133 F 8.98 4.21 0.00 3.51 3.31 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 0.00 134 E 8.97 4.20 0.00 2.33 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 0.00 2.46 2.62 0.00 135 E 8.17 4.01 0.00 2.23 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 2.59 2.50 0.00 136 F 8.47 4.12 0.00 3.21 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 0.00 137 L 8.01 4.10 0.00 1.87 1.82 1.22 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.24 4.21 0.00 1.74 1.88 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.78 7.81 139 R 7.50 4.13 0.00 1.73 1.78 0.00 3.25 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.