NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.3122 8.0433 120.6291 54.8324 44.1214 178.8071 3 E 3.6816 8.1226 118.0348 58.3664 29.3111 177.0533 4 D 4.3021 8.8816 118.9032 57.7115 41.6935 178.1835 5 L 4.0239 7.7805 118.6441 57.5263 41.6648 179.4454 6 I 3.5201 8.1399 120.4836 64.1504 37.0115 178.4420 7 G 3.6072 8.0613 106.7999 47.8772 0.0000 175.7849 8 K 3.9659 8.0265 120.8361 59.0606 32.1168 179.3519 9 A 4.2408 8.4707 121.4255 55.5021 18.3032 179.2857 10 Y 4.1914 8.7951 115.6208 61.1316 37.8644 178.6338 11 L 4.0015 8.1051 121.3331 58.0197 41.6994 178.5435 12 E 3.9720 8.3052 118.6261 59.9016 29.6145 179.7297 13 S 4.1337 8.1915 114.5150 61.5829 62.6552 176.6996 14 A 4.0673 8.0229 122.4921 54.5050 18.0894 178.4600 15 E 4.4143 8.0898 114.9139 55.0623 30.4487 175.6491 16 D 4.3346 7.6547 116.4439 55.7664 40.1692 174.1772 17 R 4.4411 8.3868 114.2532 55.6213 31.1256 176.6366 18 R 4.4431 7.6697 119.0136 55.4081 30.6575 176.7372 19 R 4.4267 8.0514 124.3409 54.0266 30.4448 175.1828 20 G 3.8882 8.0643 108.8753 44.3641 0.0000 170.5330 21 D 4.7394 8.2978 117.7419 54.0723 41.7187 176.2479 22 R 4.7075 8.7279 120.7298 54.1103 32.6409 177.5670 23 S 4.1488 8.8025 117.0301 61.9193 62.5760 176.8631 24 E 3.9459 8.1138 120.4209 59.1496 29.4560 178.9361 25 E 3.9183 8.1451 119.6119 59.1251 29.5498 179.4239 26 V 3.5350 7.6665 117.7970 65.9250 31.6367 177.2654 27 E 3.8185 8.3272 118.9583 59.4636 29.3185 178.7612 28 A 4.0007 8.0239 120.5800 55.0637 18.4048 179.6824 29 I 3.6803 7.7112 118.1981 64.6528 37.1587 178.7590 30 R 3.9068 7.9120 118.8556 59.1739 29.8317 179.0560 31 K 3.9292 8.2796 119.4868 59.5000 31.9573 178.1189 32 Y 3.8930 8.0774 119.0088 60.8178 38.8908 177.9668 33 I 3.9920 8.0882 120.5862 64.6335 37.0477 178.7207 34 R 4.0610 8.2300 118.0655 58.8338 30.0116 178.3973 35 S 4.4715 7.8364 111.0321 57.4538 63.6920 174.2671 36 A 3.8415 7.0294 127.4031 52.3371 18.4373 177.9578 37 R 4.0595 8.4939 120.3573 58.1995 30.5390 176.9106 38 R 4.5895 8.2807 118.6829 54.6802 33.4940 174.0199 39 T 5.1820 8.6134 122.4507 61.8752 71.6606 173.5335 40 V 5.0688 8.8051 118.6612 59.5741 35.9224 174.9129 41 V 5.3676 8.9851 117.2146 58.1645 33.8259 175.0878 42 P 4.3708 0.0000 0.0000 65.2414 32.2274 177.0127 43 N 4.2114 8.3156 117.9388 53.4761 38.7491 174.4683 44 W 4.6335 7.7603 118.8146 57.0565 29.8147 176.5230 45 N 4.2252 6.9799 118.3840 53.2702 39.1445 174.9221 46 A 3.9291 8.7478 130.2350 55.2598 18.6230 178.7993 47 E 3.9337 8.3398 117.8885 59.2847 29.6914 179.3098 48 K 3.9219 7.9258 118.0970 59.3182 32.2647 179.4323 49 V 3.5795 7.9198 118.7533 66.0138 31.4499 177.8375 50 D 4.3180 8.6350 118.9144 57.1292 40.6570 178.5476 51 A 3.9562 7.9098 121.1583 55.2088 18.3590 179.4625 52 I 3.5944 7.6995 118.1879 64.9855 37.2508 178.5223 53 N 4.3510 8.3700 116.9735 56.1702 38.2715 177.2001 54 D 4.3632 8.6026 120.9523 57.4469 41.0634 179.1512 55 V 3.6682 7.7733 118.4605 65.8825 31.5120 177.8374 56 L 3.9867 8.0856 118.9425 58.0122 41.5277 179.4850 57 R 3.9088 8.1711 118.6428 59.5650 29.7975 178.6983 58 S 4.1274 7.9280 112.6404 60.6516 62.8955 175.4027 59 F 4.5486 7.7208 119.0590 56.1633 39.0305 174.8750 60 N 4.2384 8.1146 115.7136 54.7838 37.6428 173.7370 61 L 4.7686 7.8988 115.2378 52.0006 44.0332 176.8697 62 R 4.0102 8.3063 121.8063 56.3122 30.6543 176.4403 63 E 4.1542 8.5424 123.4950 56.2566 30.2868 176.0145 64 A 4.8367 8.2204 123.0753 51.0424 20.3246 176.8364 65 E 4.5093 8.8903 120.0593 55.9460 31.4988 175.2322 66 H 5.4892 8.6883 117.1869 54.1747 31.1065 173.8949 67 L 4.5247 8.6337 120.2348 53.7780 43.3506 177.0824 68 Q 4.6437 8.3714 118.1107 54.0044 28.9337 174.3693 69 F 4.4560 7.8559 120.7304 55.3399 43.1423 173.8620 70 N 4.3377 8.0897 123.3635 53.9699 38.6146 175.2390 71 T 4.5914 8.5953 115.7316 62.0637 69.6652 175.8985 72 N 4.5516 8.9044 120.5604 56.3516 38.6291 177.0724 73 W 4.2816 8.7266 120.0209 59.5207 29.0780 178.0270 74 A 4.1905 8.1077 120.9399 54.9775 17.5607 178.5344 75 D 4.7304 7.9703 115.0914 55.3498 40.9512 176.7141 76 L 4.6586 7.6229 119.2835 54.4484 41.9464 175.7401 77 T 4.7394 7.3634 108.0622 59.6483 71.7645 173.9193 78 R 4.1786 8.2521 116.4772 56.6143 29.8409 177.0899 *80 P 4.4685 0.0000 0.0000 62.6455 33.5402 178.8060 81 A 3.9807 7.9344 119.5620 55.1806 18.1220 179.9173 82 V 3.5391 7.7025 116.2026 66.3787 31.5002 178.0369 83 T 3.8573 7.8818 113.8631 66.6361 68.3993 175.8511 84 K 4.0655 8.2094 120.2337 59.3773 32.5230 178.3326 85 A 4.1969 8.0628 120.9571 55.0146 18.2795 181.1127 86 L 4.1810 8.1074 116.8839 54.8813 41.6627 179.3620 *88 A 4.1705 8.0186 123.5881 52.2103 20.7209 179.7753 89 L 3.9416 8.0514 117.0778 58.5099 41.9073 179.0172 90 D 4.3320 8.1126 117.8170 57.1059 40.7582 178.4952 91 I 3.8929 7.6071 119.6548 63.6397 37.4149 177.4304 92 S 4.5657 8.0016 113.3928 57.6745 63.7679 175.1841 93 G 3.8308 8.1855 108.4839 45.9194 0.0000 173.4434 94 A 4.2242 7.6470 121.9354 52.1202 18.8530 178.2260 95 D 4.7429 8.3004 118.7463 56.2253 41.8318 177.2322 96 L 4.8618 7.7974 119.5255 53.3616 45.9355 174.8332 97 V 4.8932 8.5096 124.5361 61.1298 35.2159 173.8190 98 I 4.8859 8.7155 127.7137 59.5417 39.9882 174.4702 99 A 4.9778 8.8527 127.7148 50.2254 23.0277 174.5459 100 R 4.8672 8.1851 119.3275 54.9596 33.3428 175.2886 101 G 3.9980 8.3821 112.3437 45.6278 0.0000 172.3646 102 R 4.4365 8.1357 119.5231 55.9948 30.8125 177.9398 103 L 4.0903 8.8192 128.1622 57.6917 43.6100 176.8683 104 G 4.4760 7.8457 106.8560 44.2480 0.0000 176.8444 105 V 3.8528 8.6780 117.9959 59.7000 32.1191 173.2789 106 P 4.3497 0.0000 0.0000 64.7486 31.3595 177.0291 107 G 4.0336 9.1227 111.2457 45.3564 0.0000 173.9667 108 S 4.3603 7.8620 112.9798 57.8597 63.9748 175.7321 109 G 3.8056 7.9292 110.2197 44.9171 0.0000 172.0723 110 S 5.3226 7.9145 114.1246 56.7540 65.7314 173.9678 111 L 4.8725 9.0106 124.2812 53.3825 45.5168 174.5278 112 L 5.0987 9.1453 128.6200 53.4675 44.3500 175.3737 113 V 4.9263 8.7989 119.0832 59.6773 35.3266 174.7142 114 I 5.1980 8.6915 123.4680 58.7899 41.2555 174.9588 *116 D 4.5008 8.2250 122.4113 53.2014 40.1660 175.9357 117 S 4.3654 8.4939 112.5013 60.4755 63.0610 174.9631 118 R 4.3903 8.3576 118.7348 55.9566 30.3224 176.4359 119 G 3.9089 8.2646 105.6274 45.5244 0.0000 174.1351 120 R 4.2764 8.0099 118.0628 54.7652 31.2003 175.7855 121 L 4.4078 8.2133 122.6700 54.0286 42.8112 176.0786 122 L 4.2593 8.7011 127.0044 56.8523 42.5148 176.2026 123 S 4.6129 7.3275 110.3337 58.0422 65.9575 172.6953 124 A 4.9579 8.2920 121.7468 51.8839 22.0266 174.6689 125 A 4.3825 8.5639 120.0634 51.4622 23.3841 175.4353 *127 S 4.4691 8.4688 112.4347 57.8601 64.4940 172.8774 128 P 4.6445 0.0000 0.0000 61.5989 32.0266 174.7211 129 P 4.3568 0.0000 0.0000 63.0700 32.3416 177.1847 130 H 4.2690 8.9140 122.1505 58.9852 29.4385 177.8263 131 V 3.6081 7.8097 112.1170 63.2412 31.4563 177.5841 132 I 4.3181 7.5498 119.0540 61.8722 38.1749 175.5596 133 H 4.7354 7.3118 116.7460 53.5845 30.7705 173.4794 134 S 3.9395 8.4583 120.5620 58.4993 63.5444 174.3846 *136 E 4.1465 8.4014 121.4470 55.8213 31.3826 176.9123 137 V 3.6373 8.3042 126.1675 65.0846 31.3163 178.7031 138 R 3.9367 7.9680 116.3121 59.1455 29.1250 178.5714 139 E 3.9447 8.1451 118.5134 58.7673 29.4813 178.8563 140 A 3.9685 8.1398 120.9926 55.2007 18.2604 179.9161 141 V 3.4766 7.9438 115.8114 66.0169 31.6960 177.6607 142 R 4.0649 7.9944 117.8373 59.6697 30.0978 178.3050 143 S 4.3687 8.2986 113.9619 61.3229 62.9666 176.5097 144 E 4.2008 8.2480 119.2746 57.0821 28.8323 178.8544 *146 T 4.2996 7.8249 117.7071 64.0467 70.7435 175.9172 147 H 4.2597 8.6455 120.5700 59.2277 29.5724 177.0537 148 A 4.0737 8.1903 122.0834 54.9259 18.5255 179.2534 149 L 4.1021 7.5199 116.7095 57.7179 41.9789 179.1225 150 E 4.4384 8.6724 120.4130 58.7569 29.1633 179.4604 151 R 4.0861 8.0394 115.3466 57.8710 29.4746 177.2683 152 I 4.2843 7.6255 112.1714 60.5759 37.7393 176.4011 153 G 3.9074 8.3274 108.0344 45.9620 0.0000 174.5440 154 F 4.2701 7.9361 118.3543 57.2494 39.6812 175.6644 155 K 4.4044 8.9828 122.0490 56.7411 32.2345 176.2949 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 L 8.04 4.31 0.00 1.65 1.67 0.43 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 3 E 8.12 3.68 0.00 2.10 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 0.00 2.36 2.42 0.00 4 D 8.88 4.30 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 5 L 7.78 4.02 0.00 1.68 1.66 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.14 3.52 1.74 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 1.25 0.65 -0.15 0.00 0.00 7 G 8.06 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 8 K 8.03 3.97 0.00 1.95 1.87 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.23 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.58 7.81 9 A 8.47 4.24 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 10 Y 8.80 4.19 0.00 3.13 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 11 L 8.11 4.00 0.00 1.90 1.85 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.31 3.97 0.00 2.30 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 0.00 2.35 2.39 0.00 13 S 8.19 4.13 0.00 3.97 3.86 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 0.00 0.00 0.00 14 A 8.02 4.07 1.38 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 0.00 0.00 15 E 8.09 4.41 0.00 1.95 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 2.28 2.47 0.00 16 D 7.65 4.33 0.00 2.73 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 17 R 8.39 4.44 0.00 1.77 1.92 0.00 3.21 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 18 R 7.67 4.44 0.00 1.84 1.84 0.00 3.18 0.00 0.00 2.85 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 19 R 8.05 4.43 0.00 1.78 1.80 0.00 3.48 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 20 G 8.06 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 0.00 0.00 0.00 21 D 8.30 4.74 0.00 2.68 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 22 R 8.73 4.71 0.00 1.84 1.79 0.00 3.15 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 23 S 8.80 4.15 0.00 4.02 4.14 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 24 E 8.11 3.95 0.00 2.20 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 0.00 2.35 2.39 0.00 25 E 8.15 3.92 0.00 2.22 2.02 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 2.32 2.30 0.00 26 V 7.67 3.54 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 1.01 0.00 0.00 0.92 0.00 0.00 27 E 8.33 3.82 0.00 2.12 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 0.00 2.28 2.29 0.00 28 A 8.02 4.00 1.41 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 29 I 7.71 3.68 2.02 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 1.49 1.00 0.96 0.00 0.00 30 R 7.91 3.91 0.00 1.84 1.48 0.00 2.21 0.00 0.00 2.66 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.55 0.00 31 K 8.28 3.93 0.00 1.86 1.98 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.50 7.81 32 Y 8.08 3.89 0.00 3.10 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 33 I 8.09 3.99 2.33 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.32 0.93 0.00 0.00 34 R 8.23 4.06 0.00 1.93 2.05 0.00 3.22 0.00 0.00 3.42 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.05 0.00 35 S 7.84 4.47 0.00 3.94 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 36 A 7.03 3.84 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.49 4.06 0.00 1.91 2.03 0.00 2.96 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.56 0.00 38 R 8.28 4.59 0.00 1.89 1.84 0.00 3.04 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 39 T 8.61 5.18 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 1.21 0.00 0.00 40 V 8.81 5.07 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 0.76 0.00 0.00 0.99 0.00 0.00 41 V 8.99 5.37 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 1.05 0.00 0.00 1.05 0.00 0.00 42 P 0.00 4.37 0.00 2.12 2.20 0.00 3.97 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.13 0.00 43 N 8.32 4.21 0.00 2.65 2.62 0.00 0.00 6.83 7.68 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 44 W 7.76 4.63 0.00 3.55 3.28 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 45 N 6.98 4.23 0.00 1.60 2.24 0.00 0.00 7.11 7.92 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 46 A 8.75 3.93 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 47 E 8.34 3.93 0.00 2.14 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 2.29 2.37 0.00 48 K 7.93 3.92 0.00 1.80 1.72 0.00 1.44 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.42 1.33 7.81 49 V 7.92 3.58 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 1.10 0.00 0.00 0.90 0.00 0.00 50 D 8.64 4.32 0.00 2.74 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 51 A 7.91 3.96 1.38 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 0.00 0.00 52 I 7.70 3.59 2.01 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 1.49 0.62 0.89 0.00 0.00 53 N 8.37 4.35 0.00 2.85 3.06 0.00 0.00 7.12 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 54 D 8.60 4.36 0.00 2.86 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 55 V 7.77 3.67 2.25 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 1.28 0.00 0.00 1.09 0.00 0.00 56 L 8.09 3.99 0.00 1.88 1.71 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.17 3.91 0.00 2.13 1.93 0.00 3.10 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 58 S 7.93 4.13 0.00 3.90 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 59 F 7.72 4.55 0.00 2.94 3.04 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 60 N 8.11 4.24 0.00 2.88 2.96 0.00 0.00 6.96 7.37 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 61 L 7.90 4.77 0.00 1.76 1.50 0.37 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.31 4.01 0.00 1.76 1.82 0.00 3.23 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 63 E 8.54 4.15 0.00 2.00 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 2.32 2.31 0.00 64 A 8.22 4.84 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 65 E 8.89 4.51 0.00 2.08 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 0.00 2.45 2.26 0.00 66 H 8.69 5.49 0.00 3.45 3.35 0.00 5.71 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.63 4.52 0.00 1.63 1.72 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.37 4.64 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 69 F 7.86 4.46 0.00 2.94 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 70 N 8.09 4.34 0.00 2.29 1.99 0.00 0.00 6.92 7.70 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 71 T 8.60 4.59 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 1.42 0.00 0.00 72 N 8.90 4.55 0.00 3.35 3.15 0.00 0.00 6.95 7.24 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 73 W 8.73 4.28 0.00 3.43 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 74 A 8.11 4.19 1.50 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 75 D 7.97 4.73 0.00 2.97 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 76 L 7.62 4.66 0.00 1.77 1.64 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.36 4.74 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 1.26 0.00 0.00 78 R 8.25 4.18 0.00 1.90 1.98 0.00 3.16 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 *80 P 0.00 4.47 0.00 2.42 2.41 0.00 3.80 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.35 0.00 81 A 7.93 3.98 1.45 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 82 V 7.70 3.54 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 1.15 0.00 0.00 0.93 0.00 0.00 83 T 7.88 3.86 4.43 0.00 0.00 0.00 0.00 0.00 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 84 K 8.21 4.07 0.00 1.95 1.98 0.00 1.88 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.51 7.81 85 A 8.06 4.20 1.38 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 0.00 0.00 86 L 8.11 4.18 0.00 1.82 1.68 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 *88 A 8.02 4.17 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 89 L 8.05 3.94 0.00 1.77 1.84 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.11 4.33 0.00 2.66 2.67 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 0.00 0.00 0.00 0.00 91 I 7.61 3.89 1.76 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.25 0.87 0.00 0.00 92 S 8.00 4.57 0.00 4.03 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 93 G 8.19 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 94 A 7.65 4.22 1.33 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 95 D 8.30 4.74 0.00 2.69 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 96 L 7.80 4.86 0.00 1.78 1.47 1.11 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.51 4.89 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 1.04 0.00 0.00 0.94 0.00 0.00 98 I 8.72 4.89 1.86 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 1.13 1.08 0.88 0.00 0.00 99 A 8.85 4.98 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.19 4.87 0.00 1.74 1.85 0.00 3.24 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 101 G 8.38 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.14 4.44 0.00 1.87 1.82 0.00 3.33 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 103 L 8.82 4.09 0.00 1.60 1.80 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 104 G 7.85 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.68 3.85 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 0.93 0.00 0.00 106 P 0.00 4.35 0.00 2.04 2.03 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 107 G 9.12 4.03 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 0.00 0.00 0.00 108 S 7.86 4.36 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.93 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.91 5.32 0.00 3.77 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 0.00 111 L 9.01 4.87 0.00 1.67 1.44 0.98 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 112 L 9.15 5.10 0.00 1.83 1.47 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.80 4.93 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 0.96 0.00 0.00 114 I 8.69 5.20 1.86 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 0.87 1.65 0.93 0.00 0.00 *116 D 8.23 4.50 0.00 2.31 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 0.00 0.00 0.00 0.00 117 S 8.49 4.37 0.00 4.09 4.17 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 0.00 118 R 8.36 4.39 0.00 1.75 1.94 0.00 3.18 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 119 G 8.26 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 0.00 120 R 8.01 4.28 0.00 1.99 1.81 0.00 3.09 0.00 0.00 3.10 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 121 L 8.21 4.41 0.00 1.56 1.56 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.70 4.26 0.00 1.73 1.69 0.88 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 123 S 7.33 4.61 0.00 3.86 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 0.00 124 A 8.29 4.96 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.56 4.38 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 *127 S 8.47 4.47 0.00 3.87 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 0.00 128 P 0.00 4.64 0.00 2.09 2.03 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 129 P 0.00 4.36 0.00 2.18 1.99 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.25 0.00 130 H 8.91 4.27 0.00 3.19 3.32 0.00 5.71 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 V 7.81 3.61 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 0.86 0.00 0.00 0.93 0.00 0.00 132 I 7.55 4.32 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.76 0.72 0.00 0.00 133 H 7.31 4.74 0.00 3.18 3.14 0.00 5.63 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 S 8.46 3.94 0.00 3.82 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 *136 E 8.40 4.15 0.00 2.12 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 2.28 2.44 0.00 137 V 8.30 3.64 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 0.93 0.00 0.00 0.88 0.00 0.00 138 R 7.97 3.94 0.00 2.04 2.22 0.00 2.96 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 139 E 8.15 3.94 0.00 2.16 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 2.40 2.32 0.00 140 A 8.14 3.97 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 0.00 141 V 7.94 3.48 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 0.83 0.00 0.00 0.92 0.00 0.00 142 R 7.99 4.06 0.00 1.93 2.10 0.00 3.32 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 143 S 8.30 4.37 0.00 4.09 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 0.00 144 E 8.25 4.20 0.00 2.17 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 2.34 2.45 0.00 *146 T 7.82 4.30 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 1.45 0.00 0.00 147 H 8.65 4.26 0.00 3.32 3.43 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 A 8.19 4.07 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 0.00 149 L 7.52 4.10 0.00 0.94 0.90 0.08 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 150 E 8.67 4.44 0.00 2.13 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 2.75 2.51 0.00 151 R 8.04 4.09 0.00 1.94 2.04 0.00 2.78 0.00 0.00 3.30 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.60 0.00 152 I 7.63 4.28 1.87 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.00 0.92 0.00 0.00 153 G 8.33 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 0.00 154 F 7.94 4.27 0.00 3.09 2.87 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 0.00 155 K 8.98 4.40 0.00 1.85 1.77 0.00 1.85 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.