NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 G 3.7488 8.3431 109.7358 45.8685 0.0000 173.3287 -2 G 3.7924 8.5853 104.9544 44.0156 0.0000 171.7605 -1 S 4.1437 8.1443 115.5832 58.6212 64.0683 173.2505 0 M 4.2966 8.3490 121.2222 54.8068 31.6908 176.1262 1 S 4.2255 8.3008 115.5400 58.3383 63.6957 174.8009 2 K 4.4175 8.5366 124.1423 56.8959 33.0388 175.9617 3 T 5.3979 8.4826 112.4904 60.0746 72.5940 172.6530 4 I 4.5205 8.7650 121.7772 59.1752 41.3635 173.8400 5 V 4.7051 8.4449 128.8214 61.2136 33.3942 174.3479 6 L 4.6068 8.9770 128.7817 53.4784 43.5055 175.5812 7 S 5.0593 8.6060 119.8003 56.9595 64.6850 174.6370 8 V 4.1676 8.5710 124.8250 61.1366 32.1072 176.2550 9 G 4.1606 8.1827 118.6191 45.7641 0.0000 173.8266 10 E 4.0046 8.8836 120.3446 58.5620 30.0526 177.6572 11 A 4.2482 7.6513 122.7636 52.1055 19.0832 176.0641 12 T 5.2019 8.1248 109.8842 59.9786 72.4400 173.4066 13 R 4.6018 9.2571 122.2911 54.8834 33.2220 174.3567 14 T 4.9374 8.5591 120.8470 61.8699 70.9387 173.3364 15 L 5.1879 8.9581 127.1525 53.3240 44.4077 175.5049 16 T 5.0711 8.8407 121.1831 61.4422 71.0741 173.6934 17 E 3.8069 9.1875 128.5901 56.3515 29.4638 176.3206 18 I 4.4087 8.5752 120.0390 60.9513 39.8096 175.5075 19 Q 4.4874 7.5190 123.6049 54.8063 32.7142 173.3909 20 S 4.8556 8.5887 120.5700 57.3975 63.4106 172.3133 21 T 4.6781 8.7772 117.5139 59.0109 71.7093 174.6248 22 A 4.2632 8.7055 123.2920 55.3561 18.3066 178.4657 23 D 4.6231 7.4613 114.3330 56.4130 41.7151 176.4697 24 R 4.7786 7.6289 113.4323 55.6465 33.2163 174.0218 25 Q 5.0965 9.2292 118.9395 54.3696 31.9682 174.9456 26 I 5.1136 8.4024 121.9814 59.6575 41.0476 174.4536 27 F 5.2760 9.7099 125.2732 55.6680 42.3370 174.0617 28 E 5.1341 9.3718 122.7206 54.2937 33.5329 174.2367 29 E 4.7006 8.9510 127.4010 54.6383 29.7052 177.7259 30 K 4.3771 8.2557 131.1578 55.0365 30.8453 176.7306 31 V 4.3031 6.8646 118.0537 61.8180 35.2335 176.4449 32 G 3.9001 8.6901 115.3456 43.8280 0.0000 171.2379 33 P 4.4910 0.0000 0.0000 62.2790 32.0965 176.4419 34 L 4.0519 8.4850 119.3376 57.7542 41.7853 178.2079 35 V 3.7154 7.5619 118.3231 64.1888 31.6788 175.8727 36 G 3.9643 8.9212 115.4666 45.0326 0.0000 173.5300 37 R 3.9927 7.3307 118.8040 55.5988 30.7229 176.3360 38 L 4.2278 8.5515 123.9236 55.8267 43.2665 175.5450 39 R 5.1600 8.9658 125.5972 54.4254 33.8743 173.5833 40 L 5.2753 9.2006 127.3176 53.7263 45.1942 174.9272 41 T 5.2780 9.0956 123.0609 61.8902 71.4562 173.4373 42 A 5.4167 9.2735 126.9579 50.3913 22.7963 175.1252 43 S 4.9596 9.2954 115.5586 56.7517 67.3326 173.0087 44 L 5.2220 8.4201 122.5634 53.7697 44.6040 175.3379 45 R 4.8483 9.1357 122.4837 54.4207 33.0615 174.7815 46 Q 4.4200 8.7689 120.7388 55.5483 29.9517 175.5958 47 N 4.4645 8.7425 120.4364 52.5088 38.4628 176.3223 48 G 3.5691 8.7563 107.9856 48.7346 0.0000 174.9472 49 A 4.0326 7.8751 120.6985 52.4585 18.6880 177.0685 50 K 3.7280 7.6491 114.1098 58.0282 29.8963 176.2601 51 T 4.5736 8.1424 107.8721 61.7397 70.8461 173.3974 52 A 5.0108 7.6209 122.7398 51.2902 23.1031 174.3036 53 Y 5.0763 9.4326 116.4066 56.2462 42.0663 175.4428 54 R 5.0248 9.0805 121.0971 54.6093 33.4071 174.6743 55 V 4.7119 8.8843 125.2926 61.4958 33.4682 174.1774 56 N 5.6350 9.1605 125.2477 51.4730 41.7615 173.4543 57 L 5.2469 8.8905 122.9265 52.7820 45.7722 175.5998 58 K 4.7983 9.3264 124.2334 54.6949 35.4061 174.5770 59 L 4.8974 8.8419 131.2727 54.1084 43.6513 174.7799 60 D 5.2862 9.2789 127.6289 52.7432 43.2598 175.3175 61 Q 4.7454 9.3431 126.1549 54.1329 30.7400 174.4073 62 A 4.6326 8.5467 128.2506 51.5733 20.0453 175.5294 63 D 4.6766 9.1159 120.7854 52.2787 43.4872 175.0736 64 V 4.7241 8.0355 125.3332 60.5398 33.7526 175.4059 65 V 3.6090 8.0169 127.1728 63.3153 31.9678 175.3063 66 D 4.4909 9.0241 127.7241 57.1554 40.8240 177.0052 67 S 4.5812 7.8216 110.9265 57.5078 64.9523 174.8435 68 G 3.6918 8.1199 109.6835 44.6827 0.0000 172.3290 *75 L 4.1756 8.3089 116.5615 53.4585 42.6736 175.2250 76 P 4.3147 0.0000 0.0000 63.0788 31.9633 175.5643 77 K 4.6133 8.2263 122.4235 54.4681 36.0607 174.8926 78 V 4.0869 8.3725 127.1487 63.1276 31.5461 175.5385 79 R 4.2782 9.2163 130.0222 59.1447 30.4298 175.6203 80 Y 4.9800 7.0436 114.4336 56.3688 41.5106 173.0737 81 T 5.1269 8.6137 115.9350 62.0495 71.9389 173.5383 82 Q 4.8921 9.2070 124.7966 54.2451 32.1399 174.8029 83 V 5.0138 8.2757 120.3389 61.0306 35.1652 174.4434 84 W 4.9666 9.3994 135.0000 55.8472 33.1193 173.9088 85 S 5.5241 8.9260 121.6433 56.9752 65.4798 173.0529 86 H 5.1009 9.5567 118.2416 54.1443 32.2083 172.4912 87 D 5.1457 8.8167 121.0157 52.7176 43.7841 174.4375 88 V 4.4734 9.0390 126.8661 61.3716 34.3526 174.1719 89 T 4.9956 8.6768 124.4461 62.1172 70.2756 173.7599 90 I 4.5421 8.7042 128.1325 59.3796 40.1212 175.1958 91 V 4.2884 8.4385 127.0666 61.9828 32.3571 176.9464 92 A 4.2729 9.0167 131.3031 54.8515 18.4549 177.9509 93 N 4.8355 8.0508 111.5271 52.6618 37.6355 175.3894 94 S 4.4098 7.7630 113.8285 58.4337 64.1719 174.5002 95 T 4.2618 7.7534 112.1129 61.0779 70.8093 175.3459 96 E 3.8895 8.7632 123.0808 59.7059 29.5898 179.0938 97 A 4.0209 8.0545 120.3664 55.1962 18.4241 179.6219 98 S 4.0907 8.1380 112.8422 61.5785 63.1739 177.0382 99 R 3.9346 7.9034 121.2681 58.9004 29.8347 178.9015 100 K 4.0242 8.4075 119.8219 59.4495 32.0968 178.7916 101 S 4.0785 8.4273 113.7207 61.2151 62.3836 175.6745 102 L 3.9356 8.0088 123.0472 58.3926 41.7885 178.1401 103 Y 3.9943 8.0889 119.1343 60.9630 38.7753 177.8474 104 D 4.1834 8.5841 119.9433 57.4642 40.9630 178.9858 105 L 3.9873 8.2886 119.7603 58.0120 41.5733 179.8034 106 T 3.8703 7.8739 115.8020 66.2287 68.4423 176.5396 107 K 3.6116 7.9444 122.0445 59.5579 31.8583 178.6514 108 S 3.9818 7.7250 111.6904 61.1953 62.6854 175.3035 109 L 4.0834 8.2052 123.4378 58.4521 41.5873 179.1396 110 V 3.6909 7.6793 116.1994 66.0141 31.5510 177.5179 111 A 4.1140 7.7902 118.9306 53.3391 18.9459 177.9832 112 T 3.9949 7.3093 108.9758 61.3688 69.5749 175.7934 113 S 4.1879 8.6998 119.0338 61.5569 62.9244 176.8002 114 Q 3.9656 8.0466 121.3335 59.0114 28.5409 178.7723 115 V 3.6344 7.7600 119.0706 65.8031 31.4768 177.4738 116 E 3.9893 8.1559 118.9198 59.6073 29.4286 178.4949 117 D 4.3259 8.3504 117.8507 56.7911 41.2414 177.9860 118 L 4.2404 7.9290 122.5307 57.7398 41.9438 179.2019 119 V 3.5162 7.6995 116.8495 65.7507 31.5284 177.7122 120 V 3.9186 7.9022 117.1504 64.6573 31.3165 176.2132 121 N 4.8646 8.0497 112.9879 51.9662 39.6389 174.6253 122 L 3.8355 7.8350 116.4996 55.5037 39.9616 174.4077 123 V 3.8694 7.1038 119.4824 61.4073 31.9403 174.0703 124 P 4.3572 0.0000 0.0000 62.2624 31.8566 176.2571 125 L 4.0673 8.0825 120.7354 55.3027 42.2294 177.5876 126 G 4.0162 9.6443 109.3287 46.2406 0.0000 174.3495 127 R 4.1935 8.2986 122.2432 56.4086 31.0091 175.2142 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 G 8.34 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 -2 G 8.59 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 -1 S 8.14 4.14 0.00 3.87 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 M 8.35 4.30 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 1 S 8.30 4.23 0.00 3.88 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 2 K 8.54 4.42 0.00 1.73 1.87 0.00 1.91 0.00 0.00 1.94 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.44 7.81 3 T 8.48 5.40 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 1.26 0.00 0.00 4 I 8.77 4.52 1.54 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 0.97 1.60 0.52 0.00 0.00 5 V 8.44 4.71 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 0.86 0.00 0.00 0.92 0.00 0.00 6 L 8.98 4.61 0.00 1.56 1.52 0.86 0.57 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 7 S 8.61 5.06 0.00 3.72 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 8 V 8.57 4.17 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 0.97 0.00 0.00 0.91 0.00 0.00 9 G 8.18 4.16 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 0.00 0.00 0.00 10 E 8.88 4.00 0.00 2.06 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 2.27 2.36 0.00 11 A 7.65 4.25 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 12 T 8.12 5.20 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 1.20 0.00 0.00 13 R 9.26 4.60 0.00 1.63 1.83 0.00 3.25 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 14 T 8.56 4.94 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 1.23 0.00 0.00 15 L 8.96 5.19 0.00 1.59 1.69 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.84 5.07 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 1.22 0.00 0.00 17 E 9.19 3.81 0.00 1.51 1.62 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 1.99 1.47 0.00 18 I 8.58 4.41 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.77 0.95 0.00 0.00 19 Q 7.52 4.49 0.00 2.05 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.87 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 20 S 8.59 4.86 0.00 3.90 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.78 4.68 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 1.25 0.00 0.00 22 A 8.71 4.26 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 23 D 7.46 4.62 0.00 2.81 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 24 R 7.63 4.78 0.00 1.95 2.01 0.00 2.75 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 25 Q 9.23 5.10 0.00 2.13 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 26 I 8.40 5.11 1.83 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 1.26 0.73 0.94 0.00 0.00 27 F 9.71 5.28 0.00 2.89 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 28 E 9.37 5.13 0.00 1.97 1.74 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 2.21 2.25 0.00 29 E 8.95 4.70 0.00 2.03 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 2.33 2.35 0.00 30 K 8.26 4.38 0.00 1.80 1.77 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.58 7.81 31 V 6.86 4.30 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 0.82 0.00 0.00 0.94 0.00 0.00 32 G 8.69 3.90 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 0.00 0.00 0.00 33 P 0.00 4.49 0.00 2.18 2.06 0.00 3.77 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 1.97 1.98 0.00 34 L 8.49 4.05 0.00 1.77 1.76 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.56 3.72 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 0.76 0.00 0.00 0.93 0.00 0.00 36 G 8.92 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 37 R 7.33 3.99 0.00 1.79 2.00 0.00 3.23 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.84 0.00 38 L 8.55 4.23 0.00 1.78 1.57 1.01 0.78 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 39 R 8.97 5.16 0.00 1.98 1.74 0.00 3.17 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 40 L 9.20 5.28 0.00 1.75 1.53 0.92 0.45 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 41 T 9.10 5.28 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 1.26 0.00 0.00 42 A 9.27 5.42 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 43 S 9.30 4.96 0.00 3.92 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 44 L 8.42 5.22 0.00 1.63 1.58 0.99 0.82 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 45 R 9.14 4.85 0.00 1.89 1.98 0.00 2.84 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 46 Q 8.77 4.42 0.00 1.87 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.07 0.00 0.00 0.00 0.00 0.00 2.00 2.39 0.00 47 N 8.74 4.46 0.00 2.73 2.91 0.00 0.00 6.92 6.50 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 48 G 8.76 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 0.00 0.00 0.00 49 A 7.88 4.03 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 50 K 7.65 3.73 0.00 1.91 1.85 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.47 7.81 51 T 8.14 4.57 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 1.18 0.00 0.00 52 A 7.62 5.01 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 53 Y 9.43 5.08 0.00 2.84 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 54 R 9.08 5.02 0.00 1.72 1.85 0.00 3.31 0.00 0.00 3.12 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 55 V 8.88 4.71 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 1.07 0.00 0.00 0.97 0.00 0.00 56 N 9.16 5.64 0.00 2.77 2.72 0.00 0.00 6.36 6.40 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 57 L 8.89 5.25 0.00 1.66 1.54 0.82 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 58 K 9.33 4.80 0.00 1.81 1.69 0.00 1.66 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.42 7.81 59 L 8.84 4.90 0.00 1.87 1.73 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 60 D 9.28 5.29 0.00 2.63 2.60 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 61 Q 9.34 4.75 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.98 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 62 A 8.55 4.63 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 63 D 9.12 4.68 0.00 1.82 1.54 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 64 V 8.04 4.72 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 0.87 0.00 0.00 0.92 0.00 0.00 65 V 8.02 3.61 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 0.88 0.00 0.00 0.92 0.00 0.00 66 D 9.02 4.49 0.00 2.68 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 67 S 7.82 4.58 0.00 3.96 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 68 G 8.12 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *75 L 8.31 4.18 0.00 1.67 1.65 0.92 1.14 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 76 P 0.00 4.31 0.00 2.16 2.06 0.00 3.71 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 77 K 8.23 4.61 0.00 1.79 1.60 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.42 7.81 78 V 8.37 4.09 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 0.81 0.00 0.00 0.91 0.00 0.00 79 R 9.22 4.28 0.00 1.72 1.73 0.00 3.55 0.00 0.00 3.42 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.62 0.00 80 Y 7.04 4.98 0.00 3.07 3.01 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 81 T 8.61 5.13 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 1.26 0.00 0.00 82 Q 9.21 4.89 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 83 V 8.28 5.01 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 0.93 0.00 0.00 1.04 0.00 0.00 84 W 9.40 4.97 0.00 3.46 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 85 S 8.93 5.52 0.00 4.03 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 86 H 9.56 5.10 0.00 3.07 3.28 0.00 5.56 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 87 D 8.82 5.15 0.00 2.67 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.04 4.47 2.14 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 1.08 0.00 0.00 1.00 0.00 0.00 89 T 8.68 5.00 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 1.24 0.00 0.00 90 I 8.70 4.54 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.10 0.96 0.00 0.00 91 V 8.44 4.29 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 1.05 0.00 0.00 0.96 0.00 0.00 92 A 9.02 4.27 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 93 N 8.05 4.84 0.00 2.86 2.93 0.00 0.00 6.05 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 7.76 4.41 0.00 4.05 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 95 T 7.75 4.26 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 96 E 8.76 3.89 0.00 2.04 1.99 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 2.37 2.37 0.00 97 A 8.05 4.02 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 98 S 8.14 4.09 0.00 4.10 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 99 R 7.90 3.93 0.00 2.05 2.03 0.00 3.12 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 1.67 1.83 0.00 100 K 8.41 4.02 0.00 1.85 2.06 0.00 1.87 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.55 7.81 101 S 8.43 4.08 0.00 4.01 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 0.00 102 L 8.01 3.94 0.00 1.85 1.89 0.95 0.73 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 0.00 103 Y 8.09 3.99 0.00 3.18 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 0.00 104 D 8.58 4.18 0.00 2.90 2.70 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 0.00 105 L 8.29 3.99 0.00 1.69 1.70 0.93 0.61 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 0.00 106 T 7.87 3.87 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 0.00 107 K 7.94 3.61 0.00 1.07 1.59 0.00 1.54 0.00 0.00 1.47 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.31 7.81 108 S 7.72 3.98 0.00 3.93 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 0.00 109 L 8.21 4.08 0.00 1.86 1.90 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.68 3.69 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 0.69 0.00 0.00 1.05 0.00 0.00 111 A 7.79 4.11 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 0.00 112 T 7.31 3.99 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 1.27 0.00 0.00 113 S 8.70 4.19 0.00 4.08 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 0.00 114 Q 8.05 3.97 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 115 V 7.76 3.63 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 1.21 0.00 0.00 1.07 0.00 0.00 116 E 8.16 3.99 0.00 2.16 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 2.35 2.38 0.00 117 D 8.35 4.33 0.00 2.97 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.93 4.24 0.00 1.88 1.82 0.92 0.56 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 0.00 119 V 7.70 3.52 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 0.91 0.00 0.00 0.67 0.00 0.00 120 V 7.90 3.92 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 0.91 0.00 0.00 1.00 0.00 0.00 121 N 8.05 4.86 0.00 3.02 2.75 0.00 0.00 7.02 7.06 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 0.00 122 L 7.84 3.84 0.00 1.78 1.70 0.88 0.88 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 0.00 123 V 7.10 3.87 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 0.95 0.00 0.00 0.96 0.00 0.00 124 P 0.00 4.36 0.00 2.07 1.95 0.00 3.72 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 2.01 2.09 0.00 125 L 8.08 4.07 0.00 1.62 1.60 0.92 1.00 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 0.00 126 G 9.64 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 0.00 127 R 8.30 4.19 0.00 1.75 1.77 0.00 3.41 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 * Residues marked with a * may have inaccurate shift predictions.