NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.1864 8.3444 121.7115 55.8202 30.1954 173.8091 4 L 4.3122 8.2509 124.0536 52.5520 43.1043 174.0800 5 T 4.2305 9.2139 122.7268 61.0314 68.8894 173.0465 6 L 4.6380 8.6309 128.9111 53.0332 42.8466 176.9863 7 D 4.7393 8.5011 123.8788 52.0240 42.4811 177.2029 8 K 3.8722 8.5864 118.6693 60.1189 31.8438 179.4993 9 T 3.9902 7.9394 109.3374 64.6421 68.8379 176.4645 10 D 4.3337 8.8754 122.2390 57.2500 40.7666 178.6447 11 I 3.7846 7.7135 120.3117 64.3456 37.1309 178.4260 12 K 4.1002 8.1803 120.3638 59.4615 31.9582 178.8634 13 I 3.7334 7.7581 120.1665 64.4659 36.9675 178.4580 14 L 4.0165 7.9398 119.7303 57.8587 40.9710 179.5185 15 Q 3.9834 8.4047 118.4036 58.8448 28.5748 179.2097 16 V 3.4655 7.8881 119.1405 66.1581 31.4897 178.2715 17 L 4.2649 7.9469 117.2728 57.7930 41.4800 179.1494 18 Q 4.1374 8.2543 117.6827 58.5833 28.6377 177.9367 19 E 4.5301 7.6164 117.8544 56.8068 31.5062 176.3124 20 N 4.9666 8.3066 116.1392 51.3224 39.2694 174.9702 21 G 3.9831 8.3529 106.7390 46.6359 0.0000 171.5710 22 R 4.4112 7.6136 118.1587 55.4441 30.8562 175.4777 23 L 4.1790 7.4880 117.4594 55.4510 42.2143 177.8673 24 T 4.1274 8.1254 112.6094 61.3640 70.7705 175.3007 25 N 4.3197 8.5402 119.2304 56.5722 38.9235 176.9094 26 V 3.5548 7.7235 119.2731 66.1311 31.7512 177.5999 27 E 3.9511 8.0494 117.9435 59.3358 29.3334 179.2335 28 L 3.9737 8.5598 120.8147 58.2375 42.1671 179.2459 29 S 4.1667 8.3792 114.5147 61.1658 62.3967 176.0470 30 E 3.8794 8.3383 122.9616 59.1445 29.2076 178.8089 31 R 3.9735 7.7505 116.5926 59.2573 30.3054 178.6512 32 V 4.0491 7.5445 107.9416 60.0206 32.2903 175.6454 33 A 3.7002 7.7105 119.4631 53.7215 16.1802 177.5697 34 L 4.8821 8.0421 119.0488 53.3448 45.4365 178.0837 35 S 4.4044 8.2392 116.2030 57.6031 64.8484 173.7095 36 P 4.2347 0.0000 0.0000 65.9813 31.0776 179.0205 37 S 4.0508 7.9650 111.0732 61.0236 62.4144 174.1855 38 P 4.2454 0.0000 0.0000 65.6424 31.0980 178.0477 39 C 4.0636 7.9037 117.2330 62.3625 31.4877 175.2961 40 L 3.9379 8.0769 121.9601 58.2255 41.6774 178.9987 41 R 3.8696 7.9882 118.4894 59.4567 30.0771 178.5879 42 R 3.9223 8.3150 118.2708 59.2489 30.0120 178.7923 43 L 3.9877 8.0426 120.0172 57.9207 42.0549 178.7626 44 K 3.9070 8.0100 119.5134 59.8317 32.1320 178.7032 45 Q 4.0126 8.1428 118.1229 59.0151 28.7162 178.9146 46 L 4.0317 8.1010 119.9982 57.6189 41.6051 179.4353 47 E 4.0926 8.5475 118.8692 59.7533 29.3074 179.2263 48 D 4.3874 8.5827 117.3193 57.0011 40.9314 178.0331 49 A 4.2936 7.8914 119.3004 52.3334 18.7430 178.2836 50 G 3.8852 7.9365 105.4161 45.5805 0.0000 175.1536 51 I 3.6848 7.5535 120.4228 64.0681 37.1722 176.8673 52 V 3.7803 7.5695 121.7004 62.0763 31.1872 175.4739 53 R 4.2459 8.2184 124.1952 57.5322 30.4608 176.1980 54 Q 4.4341 7.2129 115.7970 55.3358 31.6479 172.1280 55 Y 4.6983 8.4274 120.4237 56.1976 40.1720 175.3114 56 A 4.6100 8.3059 125.0263 50.2257 22.2872 175.5859 57 A 4.1723 8.6606 125.7984 51.8188 18.9149 176.8212 58 L 4.5530 8.4106 123.5412 53.4036 43.1913 176.2535 59 L 4.6451 8.0596 122.5810 52.6620 43.8321 175.9995 60 S 4.3036 8.2752 115.7104 57.2500 62.9556 173.0550 61 P 3.8719 0.0000 0.0000 65.6161 31.0875 178.4081 62 E 4.0348 8.1575 116.1826 59.4094 29.3114 179.1347 63 S 4.2640 7.8388 113.8226 60.2072 62.8844 175.3613 64 V 4.2113 6.7944 114.1211 60.8433 31.9517 175.0838 65 N 4.2846 8.1715 116.5267 54.7915 37.9062 174.3194 66 L 5.1237 7.9909 117.4821 53.1256 39.1450 176.8819 67 G 3.9421 8.1776 104.4153 46.7142 0.0000 171.4393 68 L 4.8879 8.5365 123.9033 53.2135 45.0062 174.6249 69 Q 4.5915 8.8458 127.3594 54.1101 31.4447 173.8035 70 A 5.0998 8.9754 128.0309 50.0453 22.8285 174.8113 71 F 4.8988 9.1092 119.3751 55.8196 41.8595 174.6365 72 I 4.8931 9.0374 125.9237 59.6390 39.6460 175.2753 73 R 4.9524 9.4811 128.0821 55.2036 31.4202 175.5816 74 V 4.7144 8.9330 125.5087 61.2470 34.0682 174.5613 75 S 5.1099 9.1450 124.5503 57.1356 64.3420 173.2752 76 I 4.3485 8.6235 126.2614 59.9681 38.7841 175.5252 77 R 3.9320 8.7060 130.0890 55.9580 30.4014 177.6070 78 K 4.3265 8.2401 127.2657 55.3166 31.0804 175.5813 79 A 4.8575 7.2050 122.5838 49.8504 22.9255 177.6779 80 K 4.1068 8.6746 119.0995 59.1619 32.5966 179.1160 81 D 4.7191 8.1017 118.2529 55.4636 39.6118 178.4013 82 A 3.9966 7.8426 122.4003 55.2044 18.4028 179.7040 83 R 3.9988 8.0351 116.2691 59.4920 30.2792 179.0408 84 E 4.0325 8.1523 116.9119 59.4881 29.8462 178.6788 85 D 4.3589 8.1459 119.8494 56.9271 40.8887 178.5387 86 F 3.7805 8.4330 121.0806 61.0297 39.4010 176.8892 87 A 3.5297 7.8321 120.1706 55.0893 17.9140 179.4296 88 A 3.7559 7.5983 117.7608 55.3403 18.7397 179.8320 89 S 3.7325 7.6556 113.5279 61.4298 62.8378 176.9184 90 V 2.5140 6.6582 121.0976 65.7164 30.8487 178.2541 91 R 3.8601 7.2719 116.3073 58.1276 29.8895 178.0268 92 K 4.5980 7.2272 115.9274 54.9049 32.9611 176.2261 93 W 4.9478 7.5011 121.4031 54.5700 28.7812 175.3772 94 P 4.3874 0.0000 0.0000 64.8470 31.2473 178.1235 95 E 3.7355 8.0586 115.9511 57.9175 29.8747 176.3308 96 V 4.3494 7.3078 119.5805 61.8137 31.6103 175.2402 97 L 4.4493 8.7199 129.1642 57.0398 42.3594 177.7568 98 S 4.5495 7.7483 111.3153 56.8206 66.8221 172.9350 99 C 5.1013 7.8395 121.1453 58.0631 34.4177 172.8614 100 F 5.1637 9.1580 124.3629 55.4110 42.2737 174.2722 101 A 4.3715 9.0535 125.7276 51.9399 18.7568 176.6450 102 L 4.8663 8.3376 122.5675 53.0161 44.5256 177.0264 103 T 4.1588 8.6204 109.1608 62.7707 69.9382 175.6715 104 G 4.1549 7.4941 113.5802 44.8625 0.0000 173.7193 105 E 4.0376 8.7345 117.2494 59.2352 30.1094 177.7165 106 T 4.1281 7.7068 116.5919 63.2354 69.3024 173.8588 107 D 4.4002 8.9241 126.9105 57.1354 41.8710 175.7449 108 Y 5.3638 8.1745 115.1640 56.0065 42.2173 173.9564 109 L 5.2643 9.4466 125.9490 53.5124 44.5552 174.8805 110 L 5.4026 9.3068 126.7482 53.1353 44.6848 175.0972 111 Q 4.7243 8.9678 123.7739 54.1809 31.6319 174.1116 112 A 4.9773 8.3339 126.6913 50.5978 23.1629 174.6610 113 F 5.2400 8.2734 118.5820 55.8611 42.1758 174.8555 114 F 4.9551 9.3206 119.9564 56.2155 43.3794 175.9588 115 T 4.7573 9.2210 110.8380 64.4001 70.8385 174.2662 116 D 4.3066 8.2226 124.8362 53.5948 45.3884 176.7356 *118 N 4.5739 9.3745 115.3851 53.1057 41.0992 176.2494 119 A 4.1005 8.3534 119.6885 55.1136 18.3650 179.3279 120 F 2.7689 8.0976 119.1610 61.0969 39.3104 177.2401 121 S 3.9823 8.0767 112.1457 61.6334 62.2585 175.2505 122 H 4.2283 8.2335 120.8765 59.2790 29.4742 176.9314 123 F 3.8243 8.0831 122.2209 61.1112 39.1646 177.2468 124 V 3.0060 7.5046 118.0482 65.8833 31.0848 178.0579 125 L 3.7938 7.8950 118.8045 57.4113 41.3457 178.5811 126 D 4.5343 7.6625 116.3227 54.9566 41.4050 177.3461 127 T 4.1493 6.9817 112.6776 65.0005 70.7983 175.5495 128 L 3.8123 7.0483 122.4136 57.9549 41.9178 178.9321 129 L 3.9749 8.4920 120.5867 57.5144 41.7945 178.7146 130 S 4.3107 7.1466 112.3126 59.2171 63.6275 173.9825 131 H 4.2724 8.2097 123.6332 56.2452 29.9893 175.5097 132 H 4.1114 9.0195 122.8669 58.7421 28.4722 176.1789 133 G 3.7939 8.0177 105.1074 46.7557 0.0000 173.1633 134 V 4.3215 7.7451 121.9720 61.5653 31.8254 175.4660 135 Q 4.1600 9.1432 130.9163 59.0531 29.6511 174.9165 136 D 4.6535 7.8089 115.4681 53.9438 44.8107 173.7058 137 A 5.3384 8.3169 121.7060 50.8547 22.2138 175.6200 138 Q 4.7270 9.3841 118.1393 54.9047 32.4610 174.0294 139 S 5.2203 8.6409 115.3729 57.1772 67.3314 173.1797 140 S 4.5588 8.4804 116.7233 56.8198 67.2885 173.0510 141 F 5.2425 8.3293 118.5311 55.5167 42.9068 174.8985 142 V 3.8128 8.4949 122.4715 63.1372 31.1473 176.1051 143 L 4.2878 8.7843 128.3977 57.0467 42.2122 177.4300 144 K 4.3974 7.5502 116.7062 55.1633 34.9927 174.0175 145 E 4.3587 8.7866 127.4895 55.5545 30.0820 175.8353 146 I 4.0734 8.4866 127.6303 63.4564 37.8647 176.3423 147 K 4.5276 7.6170 118.1284 55.5212 34.8789 175.0781 148 H 4.5663 8.4246 124.6908 56.0427 30.4708 172.1759 149 T 4.6486 8.1265 120.4131 60.3607 70.4148 173.5236 150 T 4.3740 8.1787 113.2520 61.6150 69.8905 175.0731 151 S 4.3960 7.8431 120.1179 58.4751 63.1466 174.1270 152 L 4.3483 8.8461 126.5647 53.2851 42.2977 175.1913 153 P 4.5007 0.0000 0.0000 62.9989 32.2686 176.1360 154 L 4.7530 8.2765 117.8546 54.3419 43.7725 178.1306 155 N 4.4559 8.1609 117.9309 56.0556 38.7851 176.8710 156 H 4.2572 8.2635 112.9049 58.2070 28.5575 176.3631 157 L 4.1003 7.2893 118.2630 56.0428 41.8778 176.8503 158 L 4.2329 7.5936 123.4573 54.7798 41.6421 176.2783 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 3 Q 8.34 4.19 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 4 L 8.25 4.31 0.00 1.69 1.54 0.92 0.63 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 5 T 9.21 4.23 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 6 L 8.63 4.64 0.00 1.66 1.58 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.50 4.74 0.00 2.94 2.81 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 8 K 8.59 3.87 0.00 1.81 1.92 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.52 7.81 9 T 7.94 3.99 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 10 D 8.88 4.33 0.00 2.85 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 11 I 7.71 3.78 2.02 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 1.57 0.97 0.94 0.00 0.00 12 K 8.18 4.10 0.00 1.98 1.96 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 13 I 7.76 3.73 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 1.74 0.69 0.94 0.00 0.00 14 L 7.94 4.02 0.00 1.86 1.71 0.92 1.11 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 15 Q 8.40 3.98 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 16 V 7.89 3.47 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 1.05 0.00 0.00 0.96 0.00 0.00 17 L 7.95 4.26 0.00 1.82 1.88 1.06 0.89 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 18 Q 8.25 4.14 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 19 E 7.62 4.53 0.00 1.91 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 2.48 2.49 0.00 20 N 8.31 4.97 0.00 2.78 2.69 0.00 0.00 6.81 7.29 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 21 G 8.35 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 22 R 7.61 4.41 0.00 1.73 1.87 0.00 3.24 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 23 L 7.49 4.18 0.00 1.62 1.59 0.93 0.89 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 24 T 8.13 4.13 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 1.19 0.00 0.00 25 N 8.54 4.32 0.00 2.79 2.84 0.00 0.00 6.50 7.71 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 26 V 7.72 3.55 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 0.92 0.00 0.00 27 E 8.05 3.95 0.00 2.23 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 2.33 2.31 0.00 28 L 8.56 3.97 0.00 1.81 1.84 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.38 4.17 0.00 4.22 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 30 E 8.34 3.88 0.00 2.17 2.22 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 2.30 2.40 0.00 31 R 7.75 3.97 0.00 2.05 2.00 0.00 3.37 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.83 0.00 32 V 7.54 4.05 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 0.75 0.00 0.00 1.03 0.00 0.00 33 A 7.71 3.70 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 34 L 8.04 4.88 0.00 1.57 1.55 0.93 0.73 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 35 S 8.24 4.40 0.00 3.86 3.77 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 36 P 0.00 4.23 0.00 2.15 2.11 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 37 S 7.96 4.05 0.00 3.88 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 38 P 0.00 4.25 0.00 2.20 2.09 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 39 C 7.90 4.06 0.00 3.04 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 40 L 8.08 3.94 0.00 2.11 1.81 0.98 0.77 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 41 R 7.99 3.87 0.00 1.94 2.06 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 42 R 8.32 3.92 0.00 2.02 1.98 0.00 3.19 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 43 L 8.04 3.99 0.00 1.89 1.69 1.04 0.46 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 44 K 8.01 3.91 0.00 2.03 2.00 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.27 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.72 7.81 45 Q 8.14 4.01 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 46 L 8.10 4.03 0.00 1.89 1.72 0.94 0.70 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 47 E 8.55 4.09 0.00 2.23 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 2.42 2.55 0.00 48 D 8.58 4.39 0.00 2.61 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 49 A 7.89 4.29 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.94 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 51 I 7.55 3.68 2.02 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 1.18 0.57 0.90 0.00 0.00 52 V 7.57 3.78 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 0.22 0.00 0.00 0.88 0.00 0.00 53 R 8.22 4.25 0.00 1.91 1.99 0.00 3.11 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 54 Q 7.21 4.43 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 55 Y 8.43 4.70 0.00 3.03 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 56 A 8.31 4.61 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 A 8.66 4.17 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 58 L 8.41 4.55 0.00 1.65 1.61 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.06 4.65 0.00 1.51 1.50 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.28 4.30 0.00 3.84 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 61 P 0.00 3.87 0.00 2.17 1.50 0.00 3.62 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 2.08 1.63 0.00 62 E 8.16 4.03 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 2.37 2.37 0.00 63 S 7.84 4.26 0.00 4.01 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 64 V 6.79 4.21 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 0.64 0.00 0.00 0.93 0.00 0.00 65 N 8.17 4.28 0.00 2.99 2.88 0.00 0.00 7.14 6.11 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 66 L 7.99 5.12 0.00 1.57 1.66 0.71 0.71 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 67 G 8.18 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 0.00 0.00 0.00 68 L 8.54 4.89 0.00 1.80 1.83 0.72 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.85 4.59 0.00 1.88 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.60 0.00 0.00 0.00 0.00 0.00 1.73 1.16 0.00 70 A 8.98 5.10 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 71 F 9.11 4.90 0.00 2.82 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 72 I 9.04 4.89 2.09 0.00 0.00 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 1.55 0.89 1.10 0.00 0.00 73 R 9.48 4.95 0.00 1.86 1.93 0.00 3.11 0.00 0.00 3.12 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 74 V 8.93 4.71 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 0.56 0.00 0.00 1.10 0.00 0.00 75 S 9.14 5.11 0.00 3.93 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 76 I 8.62 4.35 2.09 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.70 0.99 0.00 0.00 77 R 8.71 3.93 0.00 1.83 1.83 0.00 3.32 0.00 0.00 3.44 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 78 K 8.24 4.33 0.00 1.77 1.77 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.49 7.81 79 A 7.20 4.86 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 80 K 8.67 4.11 0.00 1.78 1.91 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.39 7.81 81 D 8.10 4.72 0.00 2.92 2.95 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 82 A 7.84 4.00 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 83 R 8.04 4.00 0.00 1.96 2.17 0.00 3.21 0.00 0.00 3.55 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.79 0.00 84 E 8.15 4.03 0.00 2.20 2.22 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 2.50 2.42 0.00 85 D 8.15 4.36 0.00 3.02 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 F 8.43 3.78 0.00 2.91 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 A 7.83 3.53 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 88 A 7.60 3.76 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 89 S 7.66 3.73 0.00 3.27 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 90 V 6.66 2.51 1.32 0.00 0.00 0.00 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 -0.34 0.00 0.00 91 R 7.27 3.86 0.00 1.78 1.84 0.00 3.09 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 92 K 7.23 4.60 0.00 1.69 1.82 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.32 7.81 93 W 7.50 4.95 0.00 3.56 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 94 P 0.00 4.39 0.00 2.02 2.11 0.00 3.78 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 95 E 8.06 3.74 0.00 1.32 1.78 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 1.77 1.47 0.00 96 V 7.31 4.35 2.19 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 0.90 0.00 0.00 1.14 0.00 0.00 97 L 8.72 4.45 0.00 1.59 1.75 1.02 1.19 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 98 S 7.75 4.55 0.00 3.47 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 99 C 7.84 5.10 0.00 2.85 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 0.00 100 F 9.16 5.16 0.00 3.09 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 0.00 101 A 9.05 4.37 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 0.00 102 L 8.34 4.87 0.00 1.70 1.57 0.97 0.73 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 0.00 103 T 8.62 4.16 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 1.19 0.00 0.00 104 G 7.49 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 0.00 105 E 8.73 4.04 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 2.27 2.33 0.00 106 T 7.71 4.13 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 1.27 0.00 0.00 107 D 8.92 4.40 0.00 2.82 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.29 0.00 0.00 116 D 8.22 4.31 0.00 2.86 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 0.00 0.00 0.00 *118 N 9.37 4.57 0.00 3.05 2.96 0.00 0.00 6.70 7.29 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 0.00 119 A 8.35 4.10 1.53 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 0.00 120 F 8.10 2.77 0.00 2.67 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 0.00 121 S 8.08 3.98 0.00 3.99 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 0.00 122 H 8.23 4.23 0.00 3.28 3.51 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.08 3.82 0.00 3.22 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 0.00 124 V 7.50 3.01 1.67 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 0.83 0.00 0.00 0.02 0.00 0.00 125 L 7.90 3.79 0.00 1.70 1.62 0.90 1.23 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 0.00 126 D 7.66 4.53 0.00 2.58 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 0.00 127 T 6.98 4.15 3.37 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 0.19 0.00 0.00 128 L 7.05 3.81 0.00 0.66 1.31 1.24 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 129 L 8.49 3.97 0.00 1.54 1.66 0.87 0.89 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 0.00 130 S 7.15 4.31 0.00 3.99 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 0.00 131 H 8.21 4.27 0.00 3.64 3.42 0.00 5.60 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 9.02 4.11 0.00 3.31 3.43 0.00 5.57 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.02 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 0.00 0.00 0.00 134 V 7.75 4.32 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 0.73 0.00 0.00 0.84 0.00 0.00 135 Q 9.14 4.16 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.46 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 136 D 7.81 4.65 0.00 2.70 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.32 5.34 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 0.00 138 Q 9.38 4.73 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.65 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 139 S 8.64 5.22 0.00 3.74 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 0.00 140 S 8.48 4.56 0.00 3.64 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 0.00 141 F 8.33 5.24 0.00 2.85 2.83 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 0.00 142 V 8.49 3.81 2.16 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 0.82 0.00 0.00 1.12 0.00 0.00 143 L 8.78 4.29 0.00 1.71 1.73 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.55 4.40 0.00 1.69 1.65 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.44 7.81 145 E 8.79 4.36 0.00 2.04 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 2.33 2.41 0.00 146 I 8.49 4.07 1.89 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 1.32 0.95 0.93 0.00 0.00 147 K 7.62 4.53 0.00 1.69 1.65 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.45 7.81 148 H 8.42 4.57 0.00 3.15 3.41 0.00 5.92 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.13 4.65 4.23 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 1.21 0.00 0.00 150 T 8.18 4.37 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 1.20 0.00 0.00 151 S 7.84 4.40 0.00 3.91 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 0.00 152 L 8.85 4.35 0.00 1.63 1.61 0.93 1.11 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 0.00 153 P 0.00 4.50 0.00 2.21 2.06 0.00 3.71 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 1.98 0.00 154 L 8.28 4.75 0.00 1.66 1.61 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 155 N 8.16 4.46 0.00 2.80 2.87 0.00 0.00 6.82 8.16 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 0.00 156 H 8.26 4.26 0.00 3.27 3.44 0.00 5.52 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.29 4.10 0.00 1.73 1.69 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 158 L 7.59 4.23 0.00 1.78 1.56 0.91 0.66 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 * Residues marked with a * may have inaccurate shift predictions.