NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2728 8.1076 122.4662 51.8902 20.9785 175.7782 *6 K 4.2017 8.0829 118.4398 57.2817 34.5218 174.0772 7 Q 4.8776 8.3703 117.8602 54.3239 30.5976 176.5678 8 R 4.1709 8.5597 121.0886 56.1852 30.8899 177.3754 9 E 4.0953 8.7882 118.7477 58.8023 30.1807 176.5648 10 S 4.8348 7.7130 112.5602 55.9501 66.1312 172.9950 11 T 4.8276 7.9145 115.4797 62.0249 69.1621 173.4027 12 D 4.6786 9.0702 126.6920 56.4270 42.3957 175.7374 13 A 5.0729 7.8036 118.1766 50.5856 23.4001 174.9924 14 I 4.8101 8.4031 119.8647 59.6579 40.0546 175.0142 15 F 4.7586 9.4004 126.6965 55.9573 41.2701 175.0866 16 V 4.6919 8.4243 122.4181 61.5591 34.1240 174.1592 17 H 5.4630 9.1657 123.5565 54.2425 33.5397 171.7096 18 C 5.4377 8.6026 113.8341 56.5120 32.2122 174.1516 19 S 4.5113 9.1233 113.7628 57.4410 63.3608 173.6771 20 A 3.8456 7.7051 122.7972 54.1092 16.5273 176.6709 21 T 4.7627 7.5472 109.1591 60.1525 72.2007 173.9369 22 K 5.0509 8.5417 120.5568 54.9068 33.0834 177.0191 23 P 4.1694 0.0000 0.0000 65.9614 31.2304 178.1412 24 S 4.2720 7.9759 109.6786 60.0925 63.1919 174.7264 25 Q 4.3176 7.9296 121.7442 55.0813 27.3600 175.3164 26 N 4.6357 8.1454 124.8299 52.2802 37.5701 173.8275 27 V 4.3956 7.3445 113.9949 59.6321 35.4362 175.4268 28 G 3.9564 8.5713 107.8659 44.1218 0.0000 173.5749 29 V 3.5375 8.6120 111.8074 64.3775 30.9579 178.3022 30 R 3.7926 7.9190 118.0819 59.3496 29.7668 178.2464 31 E 3.7548 7.6862 117.4870 59.3449 29.8249 179.0579 32 I 2.9445 6.8447 119.2157 63.7913 36.9919 178.6305 33 R 3.7945 7.9757 120.0425 59.3123 29.9265 178.2081 34 Q 4.0245 7.5669 118.1386 59.2547 28.9380 178.4996 35 W 4.7498 8.2517 121.3140 59.6372 29.0785 178.2534 36 H 4.6880 8.3986 115.9292 58.6885 28.1476 177.9811 37 K 4.5239 8.3699 121.8258 58.9579 31.4509 179.1937 38 E 4.0354 8.5631 118.9521 59.3987 29.1373 178.5535 39 Q 4.3884 7.6828 115.3927 56.1575 28.9159 176.8629 40 G 3.7669 8.2552 109.2686 44.7910 0.0000 174.1139 41 W 4.5633 7.9719 120.0592 55.5905 30.2236 177.1089 42 L 4.1526 8.5251 118.6124 57.0043 41.4331 176.0731 43 D 4.4190 7.5031 115.3178 53.3521 43.8898 174.6091 44 V 3.6444 8.3468 120.0291 63.1620 31.7447 176.1652 45 G 3.5023 8.1559 113.2275 45.7212 0.0000 172.4294 46 Y 4.6761 7.0988 117.6606 56.8120 40.4072 176.3633 47 H 4.3477 9.0385 119.1585 57.9918 30.4719 175.6559 48 F 5.3465 8.0939 115.7365 55.7830 43.4426 173.7338 49 I 4.8368 9.1305 124.1430 59.5762 40.0466 174.6367 50 I 4.7819 8.5465 128.1905 59.3322 38.8933 176.0064 51 K 4.5048 8.8893 127.6245 55.9524 32.6235 178.7638 52 R 4.1507 8.3703 118.9043 58.9051 30.1038 177.6130 53 D 4.5266 8.0711 115.4033 53.5655 39.6306 177.0709 54 G 3.9680 8.1785 108.8050 45.3390 0.0000 174.0136 55 T 4.1993 7.9871 117.9351 63.3781 69.5793 173.6671 56 V 4.7915 8.4039 125.8282 60.1210 33.3588 174.8943 57 E 4.9125 9.3137 124.3861 54.3305 32.7634 175.1194 58 A 4.5545 8.6861 124.3085 52.2458 20.2158 176.2521 59 G 3.7469 8.8478 106.9129 46.3204 0.0000 176.9725 60 R 4.2525 6.0784 117.7247 55.4161 31.6023 176.4238 61 D 4.3421 8.5697 120.3679 54.2143 41.8383 176.8486 62 E 3.7814 8.8548 126.4280 59.3003 29.7203 177.1599 63 M 4.2413 8.5173 115.8723 55.3407 32.5701 174.9888 64 A 4.9860 7.7181 119.4683 51.2884 20.8648 177.2579 65 V 3.7661 7.8858 118.7123 62.9822 32.2299 175.6308 66 G 4.2551 8.5588 114.7225 44.3653 0.0000 172.6392 67 S 4.6133 7.9263 113.7383 56.3268 62.8823 173.5538 68 H 4.2531 9.6139 120.5512 55.7150 31.7526 174.3343 69 A 4.1953 7.4106 122.5044 49.9956 21.0786 174.5252 70 K 4.2803 8.6064 124.6718 57.2433 33.1009 176.9772 71 G 3.8626 9.5034 113.7114 45.7163 0.0000 173.0579 72 Y 4.6874 7.7677 113.7986 57.2460 40.3558 176.8967 73 N 4.3613 8.1822 118.0133 55.9614 38.8829 176.1184 74 H 4.4154 8.2531 113.0824 57.9122 29.1343 175.0110 75 N 5.4252 8.0984 119.0801 50.4021 36.8775 173.8211 76 S 5.0313 8.0600 111.0900 58.9648 66.5342 173.7972 77 I 4.4089 8.6363 121.3397 59.5619 39.7092 175.0948 78 G 4.2996 8.8197 112.5265 44.3227 0.0000 171.7975 79 V 5.1079 8.9285 125.0349 61.0853 34.7227 173.6235 80 C 4.9492 9.0104 127.8233 57.4094 34.2584 172.3463 81 L 4.5695 8.5696 126.8825 53.4756 42.9822 176.1027 82 V 3.9095 8.1541 124.6408 63.7307 31.9007 176.2731 83 G 3.7665 9.1393 116.9990 44.0144 0.0000 171.5071 84 G 3.9197 7.6576 108.8533 45.4792 0.0000 174.0139 85 I 5.0511 7.9638 113.1383 58.9099 40.9155 175.1657 86 D 5.0957 8.3766 121.7316 52.1667 41.3774 176.5842 87 D 4.4014 8.4618 117.3581 56.1006 39.5236 177.2892 88 K 4.0381 8.0958 117.7332 57.2697 32.3880 177.7204 89 G 3.9572 8.3164 107.3932 45.0209 0.0000 173.8152 90 K 4.3733 8.0365 119.6496 54.9555 33.1775 176.4299 91 F 4.9770 8.3121 116.4971 57.0575 38.6757 174.5763 92 D 4.5357 8.9448 121.9773 53.3891 44.3486 175.9935 93 A 4.2292 8.5423 131.5235 51.1324 16.9231 176.3143 94 N 4.7136 6.9580 118.3513 52.0344 38.3838 176.3913 95 F 4.3856 7.1155 116.9813 57.9189 40.1211 176.3816 96 T 4.0297 8.4054 120.8855 63.0010 70.2825 173.6143 97 P 4.2702 0.0000 0.0000 66.1871 31.4084 178.9123 98 A 4.0766 7.9584 118.6723 55.0530 18.3568 179.6158 99 Q 3.9308 7.9984 116.3232 59.4768 28.9327 178.6342 100 M 3.9813 7.9651 119.2194 58.1246 31.4070 178.9423 101 Q 4.0942 8.2805 118.4438 59.2490 28.9756 178.9648 102 S 4.1928 8.1504 116.1671 61.2228 62.6884 176.5559 103 L 3.9336 8.0683 123.1997 58.2389 41.9154 178.9746 104 R 4.3301 8.4683 118.6570 59.8288 29.9216 178.6848 105 S 4.1871 7.9426 114.1903 61.1834 62.7557 176.2194 106 L 3.8324 7.9847 123.1253 58.1707 41.8043 179.1737 107 L 3.9554 8.2936 119.0359 57.8303 41.1023 179.4504 108 V 3.7958 7.9572 118.1550 66.6161 31.5126 178.1690 109 T 3.9118 8.1911 115.4012 66.6143 67.9686 176.7185 110 L 4.0985 8.1462 121.1182 57.7712 41.5588 179.4285 111 L 4.0979 8.3713 117.5315 56.9434 41.5395 178.6890 112 A 4.3229 7.4845 119.4858 53.7963 19.1669 178.6667 113 K 4.1614 7.6262 114.0463 57.1147 34.7317 176.8933 114 Y 4.6710 7.0752 117.8939 56.4953 38.0360 173.1748 115 E 3.9017 7.6881 116.2208 57.0581 29.8069 178.8311 116 G 3.9321 9.0049 113.1619 44.8287 0.0000 172.9798 117 A 4.3999 8.1810 121.9594 52.0083 19.1762 177.3337 118 V 4.3186 8.5566 120.0352 59.7791 34.5787 174.3493 119 L 4.6201 8.0581 124.4300 54.0902 42.9474 175.7722 120 R 4.6344 8.6856 124.1459 54.3233 35.1056 173.6176 121 A 4.5429 8.6925 123.5687 50.4546 20.8743 177.4887 122 H 4.2581 8.7914 122.8845 59.7079 29.9748 176.8995 123 H 4.5293 8.0716 111.9090 57.2038 28.2156 175.8898 124 E 4.1582 8.2025 120.4256 58.4464 29.5631 177.6033 125 V 4.2347 7.9101 115.9267 62.5169 32.9877 174.8798 126 A 4.8685 7.6734 120.4456 49.6102 22.5615 174.0960 127 P 4.6457 0.0000 0.0000 62.5969 30.3375 175.7643 128 K 4.6136 7.3458 115.7346 55.1411 36.3745 177.0240 129 A 3.7998 8.1921 122.5180 53.7937 19.0162 177.4130 130 C 4.0274 8.0135 116.3187 60.0169 31.5975 172.1038 131 P 4.6656 0.0000 0.0000 62.6905 31.3445 176.6639 132 S 4.3762 9.6172 114.9680 58.5103 60.7529 168.4572 133 F 5.6395 7.4338 112.9758 55.1391 40.5936 173.6012 134 D 4.6842 8.8337 120.9628 53.2006 40.6954 176.5197 135 L 3.9831 8.2462 129.1334 58.0535 42.0916 178.3179 136 K 3.9756 7.9822 119.5238 59.8059 32.0676 178.6758 137 R 3.9791 8.6034 118.8500 59.0485 30.0163 178.3406 138 W 4.6100 8.3735 129.5677 59.8095 30.5995 177.7937 139 W 3.7520 8.7285 127.4440 60.3383 30.1521 177.4077 140 E 4.0564 8.4969 117.6399 58.4228 29.2174 178.2611 141 K 4.3235 8.1654 115.9059 54.7153 33.1272 175.9030 142 N 3.9787 7.8861 116.6098 54.5592 37.9469 173.2528 143 E 4.6378 7.6475 112.3677 54.0312 31.6987 175.1419 144 L 4.8730 8.6574 125.8775 53.6550 42.7111 175.5435 145 V 4.6841 8.1869 119.0248 59.3475 35.6787 175.4247 146 T 4.4585 8.6849 121.0992 64.5169 68.7138 173.4947 147 S 4.9496 9.1612 119.6275 57.7622 65.5830 174.4421 148 D 4.2572 9.0392 124.3888 53.3727 40.0839 176.1536 149 R 4.2630 8.1688 115.9487 54.8423 32.9035 175.4342 150 G 4.0249 8.8021 106.4084 46.0737 0.0000 173.9030 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 A 8.11 4.27 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 *6 K 8.08 4.20 0.00 1.88 2.12 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.33 7.81 7 Q 8.37 4.88 0.00 1.97 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.07 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 8 R 8.56 4.17 0.00 1.76 1.99 0.00 3.26 0.00 0.00 3.43 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.57 0.00 9 E 8.79 4.10 0.00 2.09 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 0.00 2.29 2.26 0.00 10 S 7.71 4.83 0.00 3.98 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 11 T 7.91 4.83 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 12 D 9.07 4.68 0.00 2.75 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 13 A 7.80 5.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.40 4.81 1.75 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 1.23 0.55 0.88 0.00 0.00 15 F 9.40 4.76 0.00 2.92 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 16 V 8.42 4.69 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 0.85 0.00 0.00 0.82 0.00 0.00 17 H 9.17 5.46 0.00 2.87 3.17 0.00 5.61 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 C 8.60 5.44 0.00 3.51 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 19 S 9.12 4.51 0.00 4.10 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 20 A 7.71 3.85 1.43 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 0.00 0.00 0.00 21 T 7.55 4.76 4.49 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 1.59 0.00 0.00 22 K 8.54 5.05 0.00 1.91 1.76 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.63 1.38 7.81 23 P 0.00 4.17 0.00 2.04 2.09 0.00 4.02 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 24 S 7.98 4.27 0.00 4.00 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 25 Q 7.93 4.32 0.00 2.31 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.54 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 26 N 8.15 4.64 0.00 2.68 2.77 0.00 0.00 7.15 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 27 V 7.34 4.40 1.88 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 0.84 0.00 0.00 0.91 0.00 0.00 28 G 8.57 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 29 V 8.61 3.54 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 0.77 0.00 0.00 0.98 0.00 0.00 30 R 7.92 3.79 0.00 1.82 1.86 0.00 3.14 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 31 E 7.69 3.75 0.00 1.53 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 2.33 2.38 0.00 32 I 6.84 2.94 1.65 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 0.85 0.61 0.82 0.00 0.00 33 R 7.98 3.79 0.00 1.87 1.90 0.00 3.07 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 34 Q 7.57 4.02 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 35 W 8.25 4.75 0.00 3.45 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 36 H 8.40 4.69 0.00 3.50 3.52 0.00 5.81 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 37 K 8.37 4.52 0.00 1.90 1.92 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.51 7.81 38 E 8.56 4.04 0.00 2.12 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 2.41 2.65 0.00 39 Q 7.68 4.39 0.00 2.38 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.42 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 40 G 8.26 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 0.00 0.00 0.00 41 W 7.97 4.56 0.00 3.68 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.53 4.15 0.00 1.70 1.76 0.94 1.00 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 43 D 7.50 4.42 0.00 2.57 2.49 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 44 V 8.35 3.64 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 0.77 0.00 0.00 0.88 0.00 0.00 45 G 8.16 3.50 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 0.00 46 Y 7.10 4.68 0.00 2.88 2.92 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 47 H 9.04 4.35 0.00 3.28 2.94 0.00 5.76 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.09 5.35 0.00 2.89 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 49 I 9.13 4.84 1.87 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.56 0.86 0.00 0.00 50 I 8.55 4.78 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.37 0.92 0.00 0.00 51 K 8.89 4.50 0.00 1.96 1.74 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.53 7.81 52 R 8.37 4.15 0.00 1.82 2.01 0.00 3.24 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.65 0.00 53 D 8.07 4.53 0.00 2.79 2.78 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 0.00 0.00 0.00 54 G 8.18 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 55 T 7.99 4.20 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 1.22 0.00 0.00 56 V 8.40 4.79 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 0.72 0.00 0.00 1.00 0.00 0.00 57 E 9.31 4.91 0.00 1.90 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 2.22 2.23 0.00 58 A 8.69 4.55 1.18 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 0.00 0.00 59 G 8.85 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 60 R 6.08 4.25 0.00 1.46 1.78 0.00 3.10 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 61 D 8.57 4.34 0.00 2.66 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.85 3.78 0.00 2.01 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 0.00 2.51 2.56 0.00 63 M 8.52 4.24 0.00 2.38 2.06 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 64 A 7.72 4.99 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 65 V 7.89 3.77 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 0.78 0.00 0.00 0.94 0.00 0.00 66 G 8.56 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 0.00 0.00 0.00 0.00 67 S 7.93 4.61 0.00 3.14 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 68 H 9.61 4.25 0.00 2.97 3.17 0.00 5.71 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 69 A 7.41 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.61 4.28 0.00 1.73 1.73 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.43 7.81 71 G 9.50 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 0.00 0.00 0.00 72 Y 7.77 4.69 0.00 2.80 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 73 N 8.18 4.36 0.00 2.66 3.02 0.00 0.00 7.03 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 74 H 8.25 4.42 0.00 3.21 3.38 0.00 5.48 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.10 5.43 0.00 2.63 2.86 0.00 0.00 6.66 8.54 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 76 S 8.06 5.03 0.00 4.25 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 77 I 8.64 4.41 1.89 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.77 1.10 0.00 0.00 78 G 8.82 4.30 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 0.00 79 V 8.93 5.11 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 1.00 0.00 0.00 1.00 0.00 0.00 80 C 9.01 4.95 0.00 1.25 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 0.00 0.00 0.00 81 L 8.57 4.57 0.00 1.14 1.16 -0.10 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 82 V 8.15 3.91 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 0.80 0.00 0.00 0.98 0.00 0.00 83 G 9.14 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 0.00 0.00 0.00 84 G 7.66 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 85 I 7.96 5.05 1.97 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 1.35 0.73 1.00 0.00 0.00 86 D 8.38 5.10 0.00 2.90 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.46 4.40 0.00 2.78 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 88 K 8.10 4.04 0.00 1.89 1.88 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.41 7.81 89 G 8.32 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 90 K 8.04 4.37 0.00 2.05 1.54 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.33 7.81 91 F 8.31 4.98 0.00 3.10 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 92 D 8.94 4.54 0.00 2.52 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.54 4.23 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 94 N 6.96 4.71 0.00 2.64 2.72 0.00 0.00 6.39 7.43 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 95 F 7.12 4.39 0.00 2.89 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 96 T 8.41 4.03 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 1.34 0.00 0.00 97 P 0.00 4.27 0.00 2.17 2.15 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 2.20 0.00 98 A 7.96 4.08 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 99 Q 8.00 3.93 0.00 2.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.86 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 100 M 7.97 3.98 0.00 2.25 2.31 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.81 0.00 101 Q 8.28 4.09 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.72 0.00 102 S 8.15 4.19 0.00 3.88 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 0.00 103 L 8.07 3.93 0.00 1.74 1.83 0.87 0.14 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 0.00 104 R 8.47 4.33 0.00 2.36 2.20 0.00 2.90 0.00 0.00 2.85 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.35 0.00 105 S 7.94 4.19 0.00 3.94 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 0.00 106 L 7.98 3.83 0.00 1.75 1.78 0.23 0.12 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 0.00 107 L 8.29 3.96 0.00 2.02 1.72 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.96 3.80 2.13 0.00 0.00 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 0.00 109 T 8.19 3.91 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 1.18 0.00 0.00 110 L 8.15 4.10 0.00 1.99 1.79 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.37 4.10 0.00 1.62 1.76 0.84 0.72 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 0.00 112 A 7.48 4.32 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 0.00 113 K 7.63 4.16 0.00 1.64 1.75 0.00 1.41 0.00 0.00 1.71 0.00 0.00 2.44 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.31 0.31 7.81 114 Y 7.08 4.67 0.00 3.16 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 0.00 115 E 7.69 3.90 0.00 2.11 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 2.35 2.42 0.00 116 G 9.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.18 4.40 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 0.00 118 V 8.56 4.32 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 0.65 0.00 0.00 0.80 0.00 0.00 119 L 8.06 4.62 0.00 1.33 1.24 0.35 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.69 4.63 0.00 0.67 1.22 0.00 2.87 0.00 0.00 2.59 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.69 0.00 121 A 8.69 4.54 0.98 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 0.00 122 H 8.79 4.26 0.00 3.25 3.51 0.00 5.62 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 0.00 123 H 8.07 4.53 0.00 3.17 3.55 0.00 5.62 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.20 4.16 0.00 2.05 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 2.30 2.26 0.00 125 V 7.91 4.23 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 0.57 0.00 0.00 0.99 0.00 0.00 126 A 7.67 4.87 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 0.00 127 P 0.00 4.65 0.00 2.20 2.13 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 128 K 7.35 4.61 0.00 1.59 1.63 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.27 1.24 7.81 129 A 8.19 3.80 0.42 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 0.00 130 C 8.01 4.03 0.00 2.97 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 0.00 131 P 0.00 4.67 0.00 1.95 1.87 0.00 3.24 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 2.04 0.00 132 S 9.62 4.38 0.00 4.41 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 0.00 133 F 7.43 5.64 0.00 3.31 3.08 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 0.00 0.00 0.00 0.00 134 D 8.83 4.68 0.00 2.82 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 0.00 135 L 8.25 3.98 0.00 1.51 1.57 0.69 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 136 K 7.98 3.98 0.00 2.04 1.86 0.00 1.72 0.00 0.00 1.62 0.00 0.00 3.35 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.50 7.81 137 R 8.60 3.98 0.00 2.11 2.09 0.00 3.23 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 138 W 8.37 4.61 0.00 3.69 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 0.00 139 W 8.73 3.75 0.00 3.49 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 0.00 140 E 8.50 4.06 0.00 2.12 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 2.39 2.61 0.00 141 K 8.17 4.32 0.00 1.90 1.79 0.00 1.82 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.56 7.81 142 N 7.89 3.98 0.00 2.59 2.75 0.00 0.00 6.97 6.93 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 0.00 143 E 7.65 4.64 0.00 2.20 1.92 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 2.26 2.23 0.00 144 L 8.66 4.87 0.00 1.69 1.66 0.43 0.90 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 0.00 145 V 8.19 4.68 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 0.95 0.00 0.00 1.07 0.00 0.00 146 T 8.68 4.46 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 1.35 0.00 0.00 147 S 9.16 4.95 0.00 3.95 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 0.00 148 D 9.04 4.26 0.00 2.53 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 0.00 0.00 0.00 149 R 8.17 4.26 0.00 1.80 1.79 0.00 3.05 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 150 G 8.80 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 * Residues marked with a * may have inaccurate shift predictions.