NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3462 8.4444 118.8051 55.2870 31.0027 174.4850 4 L 3.8733 8.5154 120.5764 55.8138 42.3413 174.6553 5 Q 4.7982 9.6007 124.6310 54.0918 33.0820 173.9381 6 V 4.6843 8.3149 121.4662 61.3986 33.3882 174.7371 7 I 4.3881 8.9025 129.4123 59.8856 39.2940 174.7220 8 Q 5.1228 8.8294 126.9902 52.3817 29.5056 174.6411 9 P 4.3049 0.0000 0.0000 64.5027 31.7907 176.7090 10 E 4.6292 7.3772 119.1966 54.5798 30.9164 176.2268 11 K 4.3928 8.6504 123.3269 59.1229 33.3688 176.9223 12 S 5.2054 7.7198 111.7253 57.0845 66.0982 174.1116 13 V 4.3966 9.0896 121.2822 61.3222 34.6900 173.8386 14 S 5.0854 8.7367 122.6100 56.9977 63.7822 173.1665 15 V 4.5024 8.6180 126.2599 60.7931 34.8647 174.3820 16 A 4.6754 8.6219 129.2029 51.3000 19.7092 176.6622 17 A 4.2633 8.5731 125.6164 54.0320 18.8239 178.1761 18 G 4.0479 9.3154 112.1283 44.3472 0.0000 173.5226 19 E 4.5399 7.9967 119.6054 55.3991 31.5484 175.6699 20 S 5.0070 8.4177 115.1020 57.5596 65.0328 173.2159 21 A 4.6711 8.5231 122.9179 50.4881 21.5098 175.3819 22 T 4.6794 8.3445 118.7482 61.7869 70.5272 174.0079 23 L 4.4938 8.5873 127.1835 52.9828 43.7353 175.7711 24 R 4.8704 8.5594 123.4001 55.4368 32.3129 176.1788 25 C 5.4114 9.1147 121.4571 55.5915 45.7257 172.4478 26 A 5.5373 9.3191 126.2840 50.6873 22.5377 174.7574 27 M 5.1384 8.9037 119.6997 54.1985 33.9310 176.6123 28 T 4.4132 8.5321 111.0944 62.5967 69.7456 174.3933 29 S 4.6276 7.7579 115.0131 57.5054 65.2283 173.4713 30 L 4.4512 8.4165 122.8807 55.0436 42.1263 176.7972 31 I 4.5293 7.4338 120.1581 58.3099 39.4037 173.8773 32 P 4.2877 0.0000 0.0000 62.0500 32.1527 176.3474 33 V 3.6421 8.2772 120.0949 61.9278 32.0715 175.4572 34 G 5.0208 8.1665 115.8022 44.9969 0.0000 169.9894 35 P 4.6849 0.0000 0.0000 62.6260 33.0145 174.9963 36 I 4.9028 8.0891 121.5396 60.0237 39.0735 174.9197 37 M 4.9948 9.1846 125.4054 53.3651 36.7805 174.1024 38 W 5.2703 8.7769 120.4776 55.1890 31.9420 175.3029 39 F 5.4792 9.5798 122.1219 55.7690 43.0382 173.9206 40 R 4.3998 9.3128 122.8553 56.3676 31.1432 177.2366 41 G 4.3770 9.6780 111.6071 45.8771 0.0000 172.4490 42 A 4.1922 8.0488 118.4636 51.0792 20.2660 176.5915 43 G 3.8231 7.6496 106.1492 44.3196 0.0000 174.6315 44 A 3.9042 8.4831 121.3940 54.8360 18.3110 178.5967 45 G 4.0178 7.8897 103.0562 45.3407 0.0000 174.0633 46 R 4.1367 7.5492 116.3177 56.0348 30.0226 175.2897 47 E 4.7070 8.8641 120.7644 54.4418 31.5309 174.6763 48 L 4.2513 8.9006 129.7083 55.5949 42.0926 176.0629 49 I 4.4025 8.7263 127.7032 63.1133 38.9456 175.8220 50 Y 3.2457 7.1021 120.6128 55.9936 42.1363 173.0751 51 N 4.7095 6.3082 123.7628 52.0467 41.6439 173.8320 52 Q 3.9764 8.7585 127.5313 59.1148 29.4869 177.2007 53 K 4.3083 8.0228 115.1738 57.6330 32.7822 176.9043 54 E 4.5792 8.3622 115.2630 55.3708 32.3954 174.9068 55 G 3.7886 8.7565 108.5922 44.8883 0.0000 172.2597 56 H 4.6489 7.7393 119.1550 54.2196 31.6284 174.8201 57 F 4.9071 8.0442 125.6305 54.8310 39.2171 173.6711 58 P 4.3216 0.0000 0.0000 65.2167 31.8747 178.5720 59 R 4.2211 8.0257 116.4663 56.6424 30.6142 175.3193 60 V 4.7847 7.6905 118.6439 61.2324 33.6648 174.9198 61 T 4.7289 8.5148 123.8988 61.6552 72.0112 173.4970 62 T 4.2361 8.2872 115.8959 61.8271 69.4015 174.8129 63 V 3.6053 8.3555 125.0309 65.5559 32.2592 176.0902 *71 N 4.3945 7.9338 116.7562 53.5228 39.6881 173.2780 72 L 4.8326 8.2851 122.7611 54.4616 43.9186 174.7174 73 D 5.0561 7.8817 120.1010 52.3745 42.1768 175.9873 74 F 4.9655 8.9473 125.0544 57.3131 40.4601 175.8842 75 S 4.9237 8.6669 115.8060 58.8402 63.9448 173.4268 76 I 4.9036 8.5404 115.6341 59.0991 41.4885 173.7949 77 S 4.9680 8.8576 117.4468 56.4918 65.4701 172.4714 78 I 4.8503 8.3656 128.1772 59.4289 39.0463 175.4516 79 S 4.3633 8.7788 122.5312 58.0969 64.0727 173.6585 80 N 4.0593 8.5030 117.5997 54.7344 36.9668 173.6009 81 I 4.0461 8.3533 121.6094 61.4222 38.4338 176.1539 82 T 4.9137 8.9990 114.3085 58.6914 71.7516 173.0806 83 P 4.1472 0.0000 0.0000 65.7930 31.3467 178.7032 84 A 4.1591 7.5819 119.1732 54.5215 18.2908 177.8379 85 D 4.6517 8.1348 114.3547 55.0754 41.4131 176.8130 86 A 4.3275 7.9265 121.9661 51.5333 19.2027 177.8526 87 G 3.9658 7.5351 106.2359 46.8374 0.0000 170.4769 88 T 5.1646 7.7806 115.9704 61.9636 71.0456 173.3780 89 Y 5.1982 9.0228 124.3085 56.4383 40.8144 174.2868 90 Y 5.1347 9.6194 121.8259 56.3208 41.6876 173.7239 91 C 4.0753 8.9261 124.5413 54.8890 44.5617 172.3205 92 V 4.7787 8.6628 126.6135 60.8925 34.4080 173.9415 93 K 4.7033 8.9033 129.9558 55.6145 33.7833 175.3084 94 F 5.2647 9.4504 126.4336 55.7747 42.1796 174.7934 95 R 4.8887 8.8737 118.5334 54.3394 31.8063 175.8967 96 K 4.6175 8.5881 121.3800 57.1480 32.6729 176.5030 97 G 4.4186 8.8790 111.5179 43.6495 0.0000 171.5944 98 S 4.6408 8.2580 112.8581 55.6286 64.9156 172.1133 99 P 4.4454 0.0000 0.0000 64.3985 31.8363 175.8517 100 D 5.0521 7.6700 118.3637 52.0695 43.7703 174.9886 101 D 4.9786 8.4485 121.3841 54.5175 41.9723 175.8177 102 V 4.6357 8.6133 120.6016 60.7109 34.8055 174.4800 103 E 3.3966 9.0121 128.5534 56.7977 29.5206 175.2709 104 F 4.7095 8.9229 129.1103 59.5088 41.0057 175.7939 105 K 4.4419 7.6030 115.8159 55.0767 36.4503 174.5761 106 S 5.0039 8.3591 117.9503 56.1549 64.0159 173.7629 107 G 3.9632 9.0102 113.4017 45.8773 0.0000 174.3016 108 A 4.1907 8.6159 122.1474 53.2368 18.7650 178.9344 109 G 3.5259 8.0620 102.9842 45.7703 0.0000 173.1028 110 T 4.7488 8.6671 118.2507 61.3470 72.1004 172.7733 111 E 4.6128 9.2612 129.0459 55.6939 31.4132 174.8564 112 L 4.9824 9.2890 130.0880 54.0058 43.6411 175.0560 113 S 5.0793 8.9073 122.9873 56.7612 65.8144 173.3443 114 V 4.7644 8.2297 122.8963 61.1825 33.5534 175.1558 115 R 4.3079 8.9907 127.9889 55.0500 30.8310 176.8297 116 A 4.1424 8.4634 126.3076 52.3461 18.4892 176.9061 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 E 8.44 4.35 0.00 2.30 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 0.00 2.21 2.36 0.00 4 L 8.52 3.87 0.00 2.00 1.92 1.05 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 9.60 4.80 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 6 V 8.31 4.68 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 0.76 0.00 0.00 0.93 0.00 0.00 7 I 8.90 4.39 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.69 0.94 0.00 0.00 8 Q 8.83 5.12 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.90 0.00 0.00 0.00 0.00 0.00 2.57 2.13 0.00 9 P 0.00 4.30 0.00 2.20 2.22 0.00 4.02 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 10 E 7.38 4.63 0.00 2.02 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 2.26 2.31 0.00 11 K 8.65 4.39 0.00 1.73 1.86 0.00 1.69 0.00 0.00 1.88 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.45 7.81 12 S 7.72 5.21 0.00 3.83 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 13 V 9.09 4.40 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 0.87 0.00 0.00 0.89 0.00 0.00 14 S 8.74 5.09 0.00 3.91 3.73 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 15 V 8.62 4.50 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 0.93 0.00 0.00 0.86 0.00 0.00 16 A 8.62 4.68 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 17 A 8.57 4.26 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 18 G 9.32 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 0.00 0.00 0.00 19 E 8.00 4.54 0.00 1.99 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 20 S 8.42 5.01 0.00 3.86 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 21 A 8.52 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.34 4.68 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 1.18 0.00 0.00 23 L 8.59 4.49 0.00 0.49 0.70 -0.12 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.56 4.87 0.00 1.96 1.91 0.00 3.14 0.00 0.00 3.56 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 25 C 9.11 5.41 0.00 3.14 3.19 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 26 A 9.32 5.54 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 27 M 8.90 5.14 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 28 T 8.53 4.41 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 1.30 0.00 0.00 29 S 7.76 4.63 0.00 3.83 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.42 4.45 0.00 1.69 1.72 0.95 0.86 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 31 I 7.43 4.53 1.84 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 1.34 0.85 0.84 0.00 0.00 32 P 0.00 4.29 0.00 1.88 1.71 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.48 0.00 33 V 8.28 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 0.96 0.00 0.00 0.96 0.00 0.00 34 G 8.17 5.02 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 0.00 0.00 0.00 35 P 0.00 4.68 0.00 2.06 2.15 0.00 3.73 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 1.99 2.01 0.00 36 I 8.09 4.90 1.17 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 0.03 0.54 0.00 0.00 37 M 9.18 4.99 0.00 1.54 1.83 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.32 0.00 38 W 8.78 5.27 0.00 3.26 3.14 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 39 F 9.58 5.48 0.00 3.10 2.99 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 0.00 0.00 0.00 0.00 40 R 9.31 4.40 0.00 1.45 1.73 0.00 2.97 0.00 0.00 2.97 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.98 0.00 41 G 9.68 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 0.00 0.00 0.00 0.00 42 A 8.05 4.19 0.60 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 0.00 0.00 43 G 7.65 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.48 3.90 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 45 G 7.89 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 0.00 0.00 0.00 46 R 7.55 4.14 0.00 2.22 1.94 0.00 2.36 0.00 0.00 2.80 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.31 0.00 47 E 8.86 4.71 0.00 2.14 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 2.34 0.00 48 L 8.90 4.25 0.00 1.89 1.75 0.51 1.22 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 49 I 8.73 4.40 2.19 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.28 1.01 0.00 0.00 50 Y 7.10 3.25 0.00 2.83 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 51 N 6.31 4.71 0.00 2.45 2.67 0.00 0.00 7.03 7.08 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 52 Q 8.76 3.98 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 53 K 8.02 4.31 0.00 1.77 1.85 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.37 7.81 54 E 8.36 4.58 0.00 1.99 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 55 G 8.76 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 56 H 7.74 4.65 0.00 2.89 2.99 0.00 5.87 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.04 4.91 0.00 3.33 3.07 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 58 P 0.00 4.32 0.00 2.16 2.13 0.00 3.65 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 59 R 8.03 4.22 0.00 1.93 1.99 0.00 3.10 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 60 V 7.69 4.78 2.20 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 0.25 0.00 0.00 1.00 0.00 0.00 61 T 8.51 4.73 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 1.15 0.00 0.00 62 T 8.29 4.24 4.19 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 1.10 0.00 0.00 63 V 8.36 3.61 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 0.68 0.00 0.00 0.85 0.00 0.00 *71 N 7.93 4.39 0.00 2.65 2.67 0.00 0.00 6.78 7.78 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 72 L 8.29 4.83 0.00 1.62 1.88 0.96 1.12 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 73 D 7.88 5.06 0.00 2.60 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.95 4.97 0.00 3.03 3.17 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 75 S 8.67 4.92 0.00 3.81 3.87 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 76 I 8.54 4.90 1.38 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.50 0.63 0.00 0.00 77 S 8.86 4.97 0.00 3.70 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 78 I 8.37 4.85 1.66 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.21 0.84 0.00 0.00 79 S 8.78 4.36 0.00 3.85 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.50 4.06 0.00 2.91 2.78 0.00 0.00 7.03 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.35 4.05 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.54 0.89 0.00 0.00 82 T 9.00 4.91 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 1.26 0.00 0.00 83 P 0.00 4.15 0.00 2.21 2.18 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 84 A 7.58 4.16 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 85 D 8.13 4.65 0.00 2.85 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 86 A 7.93 4.33 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 87 G 7.54 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 88 T 7.78 5.16 4.28 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 0.86 0.00 0.00 89 Y 9.02 5.20 0.00 3.03 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 9.62 5.13 0.00 2.98 2.86 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 91 C 8.93 4.08 0.00 1.23 2.48 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 92 V 8.66 4.78 2.43 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 0.69 0.00 0.00 1.07 0.00 0.00 93 K 8.90 4.70 0.00 1.83 1.80 0.00 1.47 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.48 1.51 7.81 94 F 9.45 5.26 0.00 3.09 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 95 R 8.87 4.89 0.00 1.74 1.83 0.00 2.78 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.64 0.00 96 K 8.59 4.62 0.00 1.65 1.79 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.55 7.81 97 G 8.88 4.42 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 0.00 98 S 8.26 4.64 0.00 3.78 3.70 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 0.00 0.00 0.00 0.00 99 P 0.00 4.45 0.00 2.22 2.17 0.00 3.77 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 1.99 0.00 100 D 7.67 5.05 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.45 4.98 0.00 2.50 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.61 4.64 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 1.06 0.00 0.00 1.05 0.00 0.00 103 E 9.01 3.40 0.00 1.60 1.65 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 2.01 1.77 0.00 104 F 8.92 4.71 0.00 2.90 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 0.00 105 K 7.60 4.44 0.00 1.67 1.51 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.50 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.99 0.69 7.81 106 S 8.36 5.00 0.00 3.88 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 0.00 107 G 9.01 3.96 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 0.00 0.00 0.00 108 A 8.62 4.19 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 0.00 109 G 8.06 3.53 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 0.00 110 T 8.67 4.75 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 1.27 0.00 0.00 111 E 9.26 4.61 0.00 2.05 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 0.00 2.34 2.29 0.00 112 L 9.29 4.98 0.00 1.73 1.67 0.52 0.54 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 0.00 113 S 8.91 5.08 0.00 3.80 3.73 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 0.00 114 V 8.23 4.76 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 0.84 0.00 0.00 0.94 0.00 0.00 115 R 8.99 4.31 0.00 1.77 1.87 0.00 3.17 0.00 0.00 3.16 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 116 A 8.46 4.14 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 * Residues marked with a * may have inaccurate shift predictions.