NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6878 8.4201 118.1258 52.7571 40.6386 175.9453 0 A 3.9402 7.8322 122.5115 51.8253 18.1180 176.6856 2 T 3.9062 8.7294 121.8938 66.4348 68.2741 172.3161 3 H 4.1144 8.3554 119.4023 59.6279 29.6927 176.8911 4 E 3.8817 8.1243 119.8602 59.5542 29.3645 179.3056 5 T 3.9682 7.8263 109.3756 64.5759 69.0515 176.4419 6 D 4.3912 8.5279 122.3096 57.2459 40.8687 178.4793 7 Q 3.9481 8.1112 119.9562 59.1449 29.0349 178.0420 8 L 3.9737 8.1208 121.4783 58.2605 42.1168 178.0835 9 Y 4.2443 8.6240 119.8788 60.8960 38.4710 177.9496 10 Q 3.9662 8.0511 119.0463 59.0905 29.4681 177.9059 11 A 4.1255 8.0176 121.7211 55.2293 18.5028 179.7325 12 V 3.5493 8.1205 117.1363 66.3507 31.3764 178.2881 13 Q 3.8293 8.0274 116.7840 58.4762 28.7253 178.0366 14 A 4.1485 7.7824 120.7353 53.7911 18.4373 179.4147 15 T 3.7825 7.5998 115.1499 66.5403 68.6635 176.3195 16 R 3.8304 7.8454 120.0793 58.9976 30.1888 176.6505 17 P 4.2482 0.0000 0.0000 65.5367 31.2266 177.8075 18 L 3.8599 8.2929 120.6417 57.9994 41.9825 178.7855 19 L 3.8886 7.9633 120.0092 58.1464 42.0645 178.6769 20 R 3.8746 7.7809 118.1863 59.7374 29.9392 178.2494 21 N 4.3563 8.4235 116.2879 56.1350 38.5329 177.3697 22 I 3.6285 8.1467 121.6535 64.7614 37.1774 178.4469 23 T 3.8058 7.8961 116.0048 66.7121 68.1988 176.5264 24 A 3.9526 8.0442 122.2808 55.0292 17.9158 179.5912 25 A 3.9063 8.4397 119.7028 55.2178 18.4637 179.8097 26 V 3.5490 8.2604 117.1543 66.3721 31.4905 177.7032 27 E 3.9813 8.3088 120.2779 58.6354 29.4824 178.8326 28 R 4.0119 7.8506 118.3403 59.4529 29.7789 179.2690 29 G 3.7119 7.8011 104.3499 47.8758 0.0000 175.9714 30 T 3.8518 8.1472 112.3609 64.6102 68.8546 176.8452 31 L 4.1060 8.2711 121.9490 57.4185 41.3504 179.4830 32 R 3.9115 7.4791 116.2290 58.9223 30.1235 177.2066 33 E 4.3842 7.6253 114.8004 55.8835 29.4518 176.4323 34 G 3.9195 8.2771 106.3634 46.1370 0.0000 174.1076 35 V 4.6336 7.6557 111.1586 58.6510 35.5060 176.0583 36 T 4.3728 8.5394 113.0853 60.6986 71.4223 176.1796 37 V 3.6698 8.2358 119.8013 65.9905 31.3974 177.9995 38 G 3.6740 8.0619 104.9674 47.9407 0.0000 175.3898 39 Q 3.9361 7.9701 120.9370 58.6282 28.7434 178.8829 40 R 3.8421 8.2540 119.5905 59.5253 29.9500 178.1833 41 A 4.0199 8.0642 120.2709 55.3780 18.3626 179.7602 42 I 3.6271 7.5750 117.8522 64.4367 37.1603 178.6381 43 L 3.9745 8.0752 119.9924 57.7417 41.4591 179.2234 44 E 4.0105 8.7370 119.7627 59.1820 29.5802 178.8772 45 G 3.7099 8.2879 106.0095 48.1048 0.0000 175.5093 46 L 4.0465 7.8675 119.8354 56.8285 41.7199 179.1238 47 S 4.2487 7.9052 113.0187 61.2943 62.3898 175.8158 48 L 4.3326 7.8613 121.1227 56.4020 42.7701 177.4981 49 T 4.5234 7.8899 108.9556 58.1728 68.4674 170.5484 50 P 4.0395 0.0000 0.0000 64.8822 32.1370 177.0422 51 G 2.1180 7.3223 109.9955 44.5423 0.0000 173.7389 52 A 4.1380 7.0860 122.9087 52.0781 19.0502 177.8711 53 T 5.2395 8.9998 112.7606 60.0525 71.3798 176.1887 54 A 3.9512 8.6268 122.9389 54.9914 18.3709 178.0761 55 P 4.2016 0.0000 0.0000 65.8288 31.3338 178.7446 56 Q 3.9771 8.1055 116.7587 58.9595 28.5619 178.8996 57 L 4.0399 8.2126 120.1984 57.7070 41.5405 179.5920 58 G 3.7468 8.3780 105.6964 47.9639 0.0000 175.3882 59 A 3.9851 7.9740 122.0502 54.7891 18.5010 179.3217 60 A 4.0784 8.0864 118.2397 54.7829 18.5854 178.9978 61 L 4.4628 8.1956 114.9264 53.4083 42.7476 176.3650 62 Q 3.1046 7.3304 116.2423 56.1022 26.2684 173.4610 *64 K 4.1113 7.8352 119.7889 55.4398 34.7241 175.9709 65 R 3.8906 8.5339 122.4452 60.0168 29.9005 178.4159 66 Q 3.9651 8.1663 118.3990 59.4949 29.0220 177.7650 67 Y 3.9967 7.9840 119.8274 60.7160 38.9917 177.4737 68 I 3.6410 7.9017 120.7628 64.4897 37.3365 178.5364 69 S 4.0497 8.3247 116.2383 61.5402 62.6970 176.8372 70 R 3.8005 7.7851 121.1562 59.5245 29.7972 178.6746 71 I 3.5324 7.4477 119.5531 64.1262 36.9435 178.2281 72 L 3.7584 8.0826 120.2822 57.9902 41.3366 179.6603 73 Q 3.9527 7.8095 117.2127 58.9369 28.7142 178.7871 74 E 3.9106 7.9897 119.3978 59.6832 29.4795 179.9752 75 V 3.6853 7.9495 112.4439 64.0218 31.5044 178.6007 76 Q 3.9417 8.2993 119.8265 59.2309 28.7573 178.0663 77 R 3.8791 8.0868 118.5234 59.2133 30.1583 177.4501 78 A 4.3472 7.7280 117.6654 51.7985 18.6980 177.5754 79 G 3.8468 7.9703 105.3830 46.3927 0.0000 174.7241 80 L 4.6798 8.2911 121.3330 54.7552 43.3736 176.3008 81 I 5.3962 7.7171 110.6078 59.0813 41.1886 174.1281 82 E 4.9322 9.5890 120.0574 54.7496 33.4264 174.0130 83 R 4.8833 8.6803 120.8678 54.9265 31.3558 175.4140 84 R 4.8467 8.8558 125.0508 54.1492 33.4015 175.9706 85 T 4.0412 8.4185 111.2440 61.7679 69.3964 173.8722 86 N 4.8298 8.4164 122.1165 51.4083 39.1484 173.2212 87 P 4.3970 0.0000 0.0000 64.6253 32.0359 178.2639 88 E 4.0830 8.2361 117.4987 58.9944 29.7570 176.4478 89 H 4.6145 7.8432 119.6294 54.1571 30.7393 172.7717 90 A 4.2337 8.8197 129.5305 54.2545 18.3285 178.9154 91 R 4.0461 7.6024 109.7548 57.9452 30.1996 177.6133 92 S 4.4534 7.5929 117.0768 57.2521 61.5924 172.5023 93 H 4.3163 7.7495 120.0992 55.9375 30.1027 174.6481 94 R 4.9460 8.0986 122.0390 54.5194 33.1964 174.5009 95 Y 5.3946 8.3709 119.8175 56.1144 41.7292 174.7711 96 W 5.2497 9.3520 121.4101 54.4799 33.6158 174.9476 97 L 4.6975 8.8204 122.9327 55.4674 41.9811 177.1658 98 T 4.3739 8.6830 113.3312 60.2363 70.7601 173.8769 99 P 4.2652 0.0000 0.0000 65.8404 31.0746 178.9431 100 R 3.9917 8.0265 117.0069 59.4094 30.1572 178.6053 101 G 3.6246 8.0178 105.2853 47.6784 0.0000 175.1248 102 E 3.9480 8.6587 121.8377 59.1077 29.6634 178.8139 103 A 3.9910 7.9878 120.6528 55.1611 18.3520 179.6847 104 I 3.6329 8.0169 118.4868 64.7011 37.2100 178.6392 105 I 3.6940 7.9047 119.3790 64.1124 37.7719 177.9754 106 T 3.8355 8.2077 116.7680 66.5674 68.3167 176.3214 107 A 4.0060 8.1255 122.5316 55.1609 18.3296 179.6283 108 I 3.6243 7.9599 118.4365 64.7898 37.0240 178.8905 109 R 3.9051 7.9834 117.1683 59.2401 29.9353 178.7357 110 A 4.1388 7.9192 119.7275 55.0139 18.6637 178.9389 111 D 4.4715 8.1662 116.6373 57.4264 41.2435 178.9975 112 E 3.9744 8.2708 115.5663 57.1712 29.2398 178.5894 *114 A 4.2851 7.9274 124.1269 52.2867 20.7680 180.1214 115 K 4.0716 8.1807 115.2382 59.5938 31.9289 179.6207 116 L 4.0857 8.3066 119.2766 57.6398 41.5371 179.3853 117 A 4.0259 8.0405 120.3607 54.9549 18.1575 179.0454 118 L 3.8946 7.7597 117.7439 58.3831 42.4795 178.6547 119 F 4.2870 8.3894 120.3254 61.6573 39.4013 177.3290 120 S 4.2669 8.6535 114.7730 61.4492 62.3463 176.3865 121 E 4.1521 7.9512 120.1877 58.6569 29.2108 178.5204 122 G 3.4912 7.5300 103.6640 44.2505 0.0000 173.2441 123 F 4.7848 7.3035 118.5932 54.4522 43.3382 175.2930 124 S 4.4782 8.9725 118.3693 58.0864 64.9694 175.6993 125 S 4.2052 8.5726 117.9061 61.4142 62.6465 176.7499 126 V 3.5874 7.8002 121.5050 65.9487 31.2588 177.5601 127 E 4.0239 8.3027 118.1649 59.6582 29.3546 179.4936 128 L 4.0580 7.9886 118.8012 58.0835 41.5803 179.7806 129 T 3.9226 8.4265 115.9550 66.4278 68.2805 176.5793 130 A 3.9883 8.3507 123.0103 55.2214 18.3792 178.8041 131 Y 4.0188 8.2856 118.2588 61.2355 38.8084 177.9279 132 H 3.9408 8.4624 118.9052 59.0964 29.9131 176.9843 133 K 3.8425 8.1986 121.3702 59.5738 32.0831 178.9405 134 V 3.4451 7.9013 118.6728 65.7914 31.4277 177.4162 135 Q 3.7054 7.9421 119.7528 59.4231 28.7660 178.7799 136 L 3.9083 7.8549 119.4873 57.6024 41.6065 179.4098 137 A 3.9726 8.1256 120.9102 55.0677 18.2363 179.6594 138 L 3.8384 8.3416 117.8803 58.1300 41.6991 179.7048 139 T 3.9755 7.8909 115.6872 66.7197 68.3502 176.3129 140 R 3.8549 7.9527 120.3085 59.4729 30.1325 178.0879 141 F 4.0235 8.5530 120.5751 61.5596 39.2813 177.1815 142 F 4.2318 8.3525 117.1698 60.2355 38.6659 177.4810 143 A 4.0034 8.1495 120.5938 55.4182 18.2376 179.4603 144 D 4.2553 8.2839 117.5138 57.4211 40.8414 178.9657 145 L 3.8282 7.6778 119.2540 57.7656 41.3633 179.5203 146 A 4.0628 8.0232 119.8620 55.0161 18.3881 179.5277 147 K 4.1320 8.0657 115.9062 58.4601 32.2502 177.8604 148 E 4.5193 7.9163 115.0354 55.3746 31.9532 175.6621 149 A 4.3055 8.3278 126.2337 52.0738 19.1994 175.9753 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 -1 N 8.42 4.69 0.00 2.73 2.95 0.00 0.00 6.89 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 A 7.83 3.94 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 2 T 8.73 3.91 4.32 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 1.26 0.00 0.00 3 H 8.36 4.11 0.00 3.26 3.34 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.12 3.88 0.00 2.04 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 2.41 2.40 0.00 5 T 7.83 3.97 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 1.20 0.00 0.00 6 D 8.53 4.39 0.00 2.92 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 7 Q 8.11 3.95 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 8 L 8.12 3.97 0.00 1.87 1.73 0.93 0.65 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 9 Y 8.62 4.24 0.00 3.13 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 8.05 3.97 0.00 2.25 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 11 A 8.02 4.13 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.12 3.55 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 0.97 0.00 0.00 1.20 0.00 0.00 13 Q 8.03 3.83 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 1.90 1.24 0.00 14 A 7.78 4.15 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 15 T 7.60 3.78 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 16 R 7.85 3.83 0.00 1.81 1.87 0.00 3.14 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 17 P 0.00 4.25 0.00 2.28 2.27 0.00 3.83 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 2.16 1.99 0.00 18 L 8.29 3.86 0.00 1.81 1.93 0.84 0.43 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 19 L 7.96 3.89 0.00 1.86 1.76 0.90 0.72 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 20 R 7.78 3.87 0.00 1.93 2.08 0.00 3.13 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 21 N 8.42 4.36 0.00 2.86 2.82 0.00 0.00 7.05 8.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.15 3.63 1.99 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 1.46 0.70 0.89 0.00 0.00 23 T 7.90 3.81 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 1.21 0.00 0.00 24 A 8.04 3.95 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 25 A 8.44 3.91 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 26 V 8.26 3.55 2.28 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 1.03 0.00 0.00 0.98 0.00 0.00 27 E 8.31 3.98 0.00 2.14 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 2.31 2.23 0.00 28 R 7.85 4.01 0.00 2.04 1.98 0.00 3.34 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 1.79 1.81 0.00 29 G 7.80 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.15 3.85 4.29 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 1.27 0.00 0.00 31 L 8.27 4.11 0.00 1.70 1.76 0.92 1.13 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 32 R 7.48 3.91 0.00 2.07 2.01 0.00 3.15 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 33 E 7.63 4.38 0.00 1.88 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 2.28 2.39 0.00 34 G 8.28 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 0.00 0.00 0.00 35 V 7.66 4.63 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 0.76 0.00 0.00 0.93 0.00 0.00 36 T 8.54 4.37 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 1.20 0.00 0.00 37 V 8.24 3.67 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 1.06 0.00 0.00 0.99 0.00 0.00 38 G 8.06 3.67 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 0.00 0.00 0.00 39 Q 7.97 3.94 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 40 R 8.25 3.84 0.00 1.86 2.17 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 41 A 8.06 4.02 1.44 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 0.00 0.00 42 I 7.57 3.63 1.90 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 1.40 0.44 0.81 0.00 0.00 43 L 8.08 3.97 0.00 1.80 1.72 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.74 4.01 0.00 2.05 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 2.31 2.33 0.00 45 G 8.29 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.87 4.05 0.00 1.63 1.71 0.91 0.74 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 47 S 7.91 4.25 0.00 3.97 4.05 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 48 L 7.86 4.33 0.00 1.81 1.70 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.89 4.52 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 1.18 0.00 0.00 50 P 0.00 4.04 0.00 2.09 2.10 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.22 0.00 51 G 7.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.09 4.14 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 53 T 9.00 5.24 4.29 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 1.27 0.00 0.00 54 A 8.63 3.95 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 55 P 0.00 4.20 0.00 2.18 2.13 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 56 Q 8.11 3.98 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 57 L 8.21 4.04 0.00 1.82 1.69 0.82 1.03 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 58 G 8.38 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 0.00 0.00 0.00 59 A 7.97 3.99 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 60 A 8.09 4.08 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 61 L 8.20 4.46 0.00 1.66 1.74 0.99 0.98 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 62 Q 7.33 3.10 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.45 0.00 0.00 0.00 0.00 0.00 2.43 2.30 0.00 *64 K 7.84 4.11 0.00 1.86 1.79 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.47 7.81 65 R 8.53 3.89 0.00 1.89 1.97 0.00 3.21 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 66 Q 8.17 3.97 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.70 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 67 Y 7.98 4.00 0.00 3.02 3.11 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 68 I 7.90 3.64 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.72 0.90 0.00 0.00 69 S 8.32 4.05 0.00 4.06 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 70 R 7.79 3.80 0.00 1.83 1.88 0.00 3.04 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 71 I 7.45 3.53 1.59 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 -0.11 0.79 0.00 0.00 72 L 8.08 3.76 0.00 1.57 1.35 0.47 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 7.81 3.95 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 74 E 7.99 3.91 0.00 2.12 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 2.28 2.47 0.00 75 V 7.95 3.69 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 0.74 0.00 0.00 0.95 0.00 0.00 76 Q 8.30 3.94 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 77 R 8.09 3.88 0.00 1.92 2.14 0.00 3.30 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 78 A 7.73 4.35 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 79 G 7.97 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 0.00 0.00 0.00 80 L 8.29 4.68 0.00 1.67 1.72 0.92 0.73 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 81 I 7.72 5.40 2.08 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.77 0.93 0.00 0.00 82 E 9.59 4.93 0.00 2.03 2.10 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 2.51 2.35 0.00 83 R 8.68 4.88 0.00 1.81 1.83 0.00 3.00 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.98 0.00 84 R 8.86 4.85 0.00 1.76 1.61 0.00 2.21 0.00 0.00 2.51 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.44 0.00 85 T 8.42 4.04 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 86 N 8.42 4.83 0.00 2.85 2.87 0.00 0.00 7.09 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 87 P 0.00 4.40 0.00 2.09 2.09 0.00 3.76 0.00 0.00 3.88 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 88 E 8.24 4.08 0.00 1.99 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 2.33 2.32 0.00 89 H 7.84 4.61 0.00 3.07 3.14 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.82 4.23 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 91 R 7.60 4.05 0.00 1.87 1.98 0.00 3.07 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.61 0.00 92 S 7.59 4.45 0.00 4.23 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 93 H 7.75 4.32 0.00 3.02 2.94 0.00 5.56 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 R 8.10 4.95 0.00 2.04 1.62 0.00 3.16 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.74 0.00 95 Y 8.37 5.39 0.00 2.83 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 96 W 9.35 5.25 0.00 3.25 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 97 L 8.82 4.70 0.00 1.62 1.67 1.03 0.95 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 98 T 8.68 4.37 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 99 P 0.00 4.27 0.00 2.19 2.17 0.00 3.62 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 100 R 8.03 3.99 0.00 1.93 1.93 0.00 3.24 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 101 G 8.02 3.62 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 0.00 0.00 0.00 102 E 8.66 3.95 0.00 2.10 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 2.34 2.40 0.00 103 A 7.99 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.02 3.63 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.72 0.91 0.00 0.00 105 I 7.90 3.69 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.45 0.98 0.00 0.00 106 T 8.21 3.84 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 1.22 0.00 0.00 107 A 8.13 4.01 1.44 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 0.00 0.00 108 I 7.96 3.62 2.01 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 1.53 0.82 0.93 0.00 0.00 109 R 7.98 3.91 0.00 1.78 2.01 0.00 3.55 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.80 0.00 110 A 7.92 4.14 1.31 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 0.00 0.00 111 D 8.17 4.47 0.00 2.83 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 0.00 112 E 8.27 3.97 0.00 2.17 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 2.33 2.47 0.00 *114 A 7.93 4.29 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.18 4.07 0.00 1.98 1.90 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.61 7.81 116 L 8.31 4.09 0.00 1.72 1.78 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.04 4.03 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 0.00 118 L 7.76 3.89 0.00 1.69 2.01 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 119 F 8.39 4.29 0.00 3.25 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 0.00 120 S 8.65 4.27 0.00 4.11 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 0.00 121 E 7.95 4.15 0.00 2.09 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 2.34 2.55 0.00 122 G 7.53 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 0.00 0.00 0.00 123 F 7.30 4.78 0.00 2.92 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 0.00 124 S 8.97 4.48 0.00 4.08 4.01 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 0.00 0.00 0.00 125 S 8.57 4.21 0.00 4.10 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 0.00 126 V 7.80 3.59 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 1.17 0.00 0.00 0.95 0.00 0.00 127 E 8.30 4.02 0.00 2.39 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 2.44 2.45 0.00 128 L 7.99 4.06 0.00 1.78 1.80 1.01 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.43 3.92 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 130 A 8.35 3.99 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 0.00 131 Y 8.29 4.02 0.00 3.04 3.20 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 0.00 132 H 8.46 3.94 0.00 3.28 3.46 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.20 3.84 0.00 1.98 1.91 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.44 7.81 134 V 7.90 3.45 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 0.78 0.00 0.00 0.95 0.00 0.00 135 Q 7.94 3.71 0.00 1.40 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.15 2.30 0.00 136 L 7.85 3.91 0.00 1.60 1.62 0.82 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.13 3.97 1.31 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 0.00 0.00 138 L 8.34 3.84 0.00 1.89 1.92 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 139 T 7.89 3.98 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 140 R 7.95 3.85 0.00 2.13 2.12 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 141 F 8.55 4.02 0.00 2.99 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 0.00 142 F 8.35 4.23 0.00 3.16 2.98 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 0.00 143 A 8.15 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 0.00 144 D 8.28 4.26 0.00 2.67 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 0.00 145 L 7.68 3.83 0.00 1.75 1.62 0.64 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 146 A 8.02 4.06 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 0.00 147 K 8.07 4.13 0.00 1.83 1.86 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.46 7.81 148 E 7.92 4.52 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 149 A 8.33 4.31 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 * Residues marked with a * may have inaccurate shift predictions.