NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.4365 8.2649 122.4701 52.2876 20.5746 176.5586 4 I 4.1859 7.9438 118.6365 59.6611 41.7816 172.1362 5 K 4.7048 9.8635 130.9174 55.6572 33.8509 174.6165 6 C 5.1378 8.9798 127.4794 57.5247 34.7032 172.4122 7 V 4.5500 8.1433 126.0904 61.1134 33.7058 174.2126 8 V 4.5653 8.5215 128.4623 61.6956 32.3788 175.3166 9 V 4.4963 9.3393 121.1257 57.7324 35.9484 175.4955 10 G 3.3282 8.0047 111.1804 43.4338 0.0000 171.6840 11 D 4.5728 8.0865 118.5175 53.5047 41.3336 177.7897 12 G 3.7087 8.8983 112.2425 46.3963 0.0000 172.7513 13 A 3.7057 8.3791 120.8640 52.8580 16.0791 176.8489 14 V 3.8901 7.2818 120.5281 63.4821 33.4351 176.9911 15 G 3.9983 8.0878 109.0923 43.1532 0.0000 174.2202 16 K 3.8030 7.6741 123.8567 60.2275 32.9160 178.9949 17 T 3.7450 7.9658 115.1699 66.9703 68.1862 175.9213 18 C 3.9667 7.8884 122.0671 62.9137 31.7751 175.6128 19 L 4.0888 7.6953 124.0646 59.9399 40.4265 181.2281 20 L 3.9269 7.6749 119.8393 57.4866 41.3328 179.7747 21 I 3.8080 7.3980 119.3446 64.1701 37.0630 177.8758 22 S 4.4320 8.7207 117.9465 61.7039 62.4757 175.8362 23 Y 4.1053 8.2327 121.9702 61.4713 38.6207 177.9774 24 T 3.4435 7.7760 110.0399 64.4181 69.0991 175.5752 25 T 3.8800 7.9203 117.7635 62.8645 67.5577 174.6722 26 N 4.1748 8.1558 116.6905 52.9098 35.5338 178.9286 27 A 4.4317 7.2662 118.2249 52.5048 21.6833 176.3020 28 F 4.5696 8.8571 122.6496 56.8825 40.4752 173.9032 29 P 4.5170 0.0000 0.0000 63.8734 32.3229 176.2849 30 G 3.5964 7.2651 106.7524 46.3172 0.0000 172.5917 *32 Y 4.6420 8.3669 126.2267 57.6196 39.9302 174.0535 33 I 3.9616 7.7495 127.4587 58.8045 38.0554 174.1109 34 P 3.9982 0.0000 0.0000 62.8744 31.9989 177.1382 35 T 3.9940 8.3639 118.0847 66.5228 68.8112 175.6886 36 V 3.8388 7.5741 119.7506 62.1011 32.1788 174.8741 37 F 4.6545 8.5237 128.4075 55.9964 40.6336 174.1541 38 D 4.3024 8.0569 127.7807 53.8270 41.2572 176.3110 39 N 4.0659 8.2626 118.5972 54.3674 39.2041 173.5611 40 Y 4.2661 8.6192 124.8364 55.8285 41.1649 174.2110 41 S 5.1043 8.2180 122.1418 56.6649 63.7968 172.5822 42 A 4.7755 9.4908 128.6617 50.2448 23.2342 173.7240 43 N 5.4311 8.8207 118.3772 52.4131 40.9306 175.5341 44 V 4.7432 8.6073 123.8210 60.7344 36.9553 171.6134 45 M 5.7750 8.2072 114.7130 52.8405 35.5845 174.6589 *49 K 4.0236 8.2251 116.0857 56.8276 32.0814 172.8563 50 P 4.9323 0.0000 0.0000 61.5142 31.7242 175.8911 51 V 4.3715 8.0793 116.7805 59.5249 34.2868 175.2804 52 N 4.9650 8.6901 123.0060 52.6947 39.7116 172.8609 53 L 4.8566 9.3943 130.1440 53.2527 44.6350 175.0793 54 G 4.6180 9.0834 113.4561 44.4775 0.0000 172.0025 55 L 5.6923 9.0766 123.8728 52.6974 45.7250 175.5787 56 W 5.1311 8.9425 122.0867 54.9353 32.2748 174.7777 57 D 4.9807 9.2818 124.8902 53.8085 41.7412 175.5089 58 T 5.0061 8.4987 109.9347 60.0519 69.5313 173.3538 59 A 4.2215 7.7754 123.9508 54.1599 18.7123 179.2479 60 G 4.0986 10.4415 111.7786 45.7531 0.0000 174.1327 61 Q 4.6466 7.8340 118.4520 56.2532 29.6368 177.5936 62 E 4.4147 8.3306 115.4422 58.7448 29.7149 177.2525 63 D 4.4161 7.6015 116.6038 53.9807 41.6018 175.7420 64 Y 4.7442 7.4240 118.1184 55.9842 38.5151 175.9140 65 D 4.5592 8.6985 124.6068 54.8743 40.0921 177.5983 66 R 4.4666 7.8535 117.1962 56.9950 32.0088 177.8731 67 L 4.2334 7.9676 118.1935 57.3457 41.6725 179.1465 68 R 3.9983 8.1254 116.5165 58.4965 29.4100 176.3556 69 P 3.0485 0.0000 0.0000 62.8419 31.3360 177.6347 70 L 4.0604 7.4555 119.0702 57.3361 41.5618 178.5425 71 S 4.2392 7.2590 114.2366 60.3423 63.0609 174.8399 72 Y 4.7663 7.3570 118.5716 59.5291 38.0876 174.5653 73 P 4.3743 0.0000 0.0000 63.6639 31.9712 175.6523 74 Q 3.3853 8.4620 118.3890 57.1655 26.4154 173.9742 75 T 4.1428 7.6745 112.7394 62.7200 69.6745 175.1229 76 D 4.6880 8.7448 126.4806 56.2929 41.9271 177.1238 77 V 4.4083 6.9844 114.7855 60.7258 34.4918 171.9443 78 F 5.0440 8.6683 121.9771 55.7919 41.5534 174.7094 79 L 4.6575 8.6236 125.3083 54.0817 42.5501 175.9923 80 I 4.6885 8.3994 126.0225 60.2734 38.9170 175.0197 81 C 5.6926 8.8585 123.7047 56.7649 31.3625 173.2820 82 F 5.1412 7.7070 116.2587 54.7970 41.7346 173.5872 83 S 5.3000 8.7473 114.6033 57.1582 62.9677 174.9600 84 L 4.3386 9.9001 128.5636 56.5549 42.6108 178.5691 85 V 4.5343 7.1954 112.4790 60.4441 31.8787 175.9180 86 S 4.2176 8.4598 109.6411 59.1450 65.6666 177.7465 87 P 3.6058 0.0000 0.0000 62.6091 33.3397 176.5782 88 A 4.0161 8.2183 126.7694 55.7982 19.1403 179.6918 89 S 4.3549 8.4282 112.3613 61.8234 62.9663 176.1339 90 F 4.0884 8.0082 127.1330 61.3698 38.9133 177.6354 91 E 3.7735 8.2791 117.7415 61.3165 29.6579 181.4383 92 N 4.5336 8.0667 117.2295 55.7648 38.6036 177.5387 93 V 3.8456 7.3989 119.7817 66.2305 31.3254 178.0577 94 R 3.8475 7.8419 116.9046 58.6141 30.0462 177.3708 95 A 4.5089 7.8268 117.6385 51.9444 20.1643 176.2110 96 K 4.0989 7.9155 116.0172 57.4215 34.3584 178.3615 97 W 4.4114 7.7791 117.9765 59.9260 29.0762 178.0139 98 Y 4.0845 8.0821 119.2219 60.2332 38.3173 175.7299 99 P 4.0375 0.0000 0.0000 65.6758 31.3831 178.0680 100 E 4.0122 7.8842 117.9278 58.8930 29.5825 178.8106 101 V 2.8663 7.8904 118.6312 65.8649 31.0995 178.0679 102 R 3.6631 7.4697 117.7537 59.4492 29.5917 178.6435 103 H 4.0786 7.5804 116.1236 59.7253 30.0298 176.8908 104 H 4.5911 8.1112 116.5077 57.4819 28.9509 175.2955 105 C 4.6962 8.3744 118.2545 57.2407 29.3702 172.7078 106 P 4.2236 0.0000 0.0000 63.7120 31.2560 177.1504 107 N 4.9331 7.4882 112.8704 52.9231 40.0666 174.4765 108 T 4.4138 7.8174 116.2103 62.2761 69.4721 173.0445 109 P 4.6679 0.0000 0.0000 62.8174 33.5688 175.1471 110 I 5.3042 7.9849 119.2598 58.5552 40.8866 174.8171 111 I 4.4149 8.4424 128.5117 60.7470 38.8158 174.5664 112 L 4.9696 8.8185 131.5030 54.3213 44.1543 175.9198 113 V 4.1780 8.7762 126.0848 59.2947 34.8242 171.6726 114 G 3.2923 8.0247 114.8391 44.5453 0.0000 172.7413 115 T 4.6895 8.4216 116.5966 60.1686 71.5471 173.8199 116 K 4.0610 8.3037 121.8215 57.7582 28.8644 176.9399 117 L 4.2182 8.4885 120.9912 56.6516 42.2848 181.2652 118 D 4.3992 8.3098 119.2371 57.6382 39.5632 178.7101 119 L 4.3617 7.9036 119.1647 55.0059 41.3613 180.1249 120 R 4.0966 7.6130 118.2780 60.7825 29.7682 183.6182 121 D 4.8299 7.1872 117.5778 50.1324 38.2759 177.1048 122 D 4.5091 7.7039 119.4743 52.6333 45.0648 175.8939 123 K 3.6503 8.9174 123.8419 58.0161 32.1516 176.8452 *130 K 4.3477 8.7058 127.7514 55.0440 34.1558 174.3541 131 E 4.1741 8.2809 116.8755 59.6207 29.8145 181.8196 132 K 4.3770 7.9828 118.9680 54.3267 32.0630 178.4427 133 K 3.9113 7.4876 116.3352 58.2463 30.0024 174.3961 134 L 4.9081 7.5893 114.8856 53.5193 46.2539 176.2748 135 T 4.7209 7.9918 115.3740 60.8682 72.2032 172.3776 136 P 4.5427 0.0000 0.0000 63.0681 32.3948 176.7259 137 I 3.7031 8.7603 123.3694 60.7552 35.9136 175.1327 138 T 4.4282 8.1393 117.7987 59.3698 71.5611 175.2620 139 Y 4.1649 8.7190 121.6420 60.2137 38.7133 176.0365 140 P 4.2381 0.0000 0.0000 65.8635 31.3483 178.0635 141 Q 3.9791 7.7147 118.4031 59.3517 28.5817 178.8568 142 G 3.5763 8.2607 107.3696 47.4242 0.0000 174.9067 143 L 3.3798 7.1453 121.7704 56.8485 42.0609 179.6093 144 A 3.8830 7.7877 120.8823 55.4041 18.2543 178.9380 145 M 3.7493 7.8572 116.5625 58.4170 32.2783 177.9523 146 A 3.9742 8.2357 123.4637 55.8825 18.5159 180.3398 147 K 3.8283 8.2632 122.0066 60.0069 31.6051 180.6317 148 E 4.1270 7.9921 119.4234 59.0062 29.4591 179.0905 149 I 3.7383 7.3547 110.1251 59.7041 38.7307 175.6872 150 G 3.7753 8.1478 106.4258 46.9248 0.0000 174.3887 151 A 4.1737 8.1982 120.8589 52.2425 19.3988 178.2240 152 V 4.1346 8.5835 122.0442 65.4725 32.6948 177.1635 153 K 4.7741 7.7975 121.0769 54.0607 36.1603 176.2542 154 Y 5.2924 8.6632 122.7887 56.0522 41.8950 174.3453 155 L 4.7360 7.6460 123.9668 53.3892 46.8535 174.5986 156 E 5.4537 8.1597 117.5000 55.2072 34.0985 174.3336 157 C 5.2513 7.8507 114.3955 58.7004 32.5183 172.1319 158 S 4.9760 7.9238 111.7298 56.5795 65.8027 175.1380 159 A 4.0696 8.9001 125.9586 55.6857 18.2921 179.6599 160 L 3.6854 7.5336 115.2775 57.5432 40.2897 181.2823 161 T 3.9090 8.6031 116.2146 64.6882 69.0672 176.0957 162 Q 3.7819 7.9995 118.3155 56.4489 27.0629 172.9608 163 R 4.0689 7.4154 116.4058 57.1798 29.6904 177.2666 164 G 4.4482 8.9890 112.5805 45.2535 0.0000 174.3082 165 L 3.9535 7.6006 122.9380 59.2795 41.4316 179.9798 166 K 4.1314 8.1458 122.3310 59.6943 31.7181 180.9610 167 T 4.0985 7.9773 115.2543 66.8428 68.2639 176.6785 168 V 3.2781 7.0672 119.8579 66.1893 31.6154 177.9962 169 F 4.1456 7.6035 115.6016 59.5044 38.8289 177.3801 170 D 4.5310 7.7491 118.6427 57.2083 40.7053 178.4253 171 E 3.9898 8.5166 119.1703 58.9361 29.2241 179.0760 172 A 3.9527 7.9428 120.5507 55.1232 18.6617 179.4782 173 I 3.8623 7.5650 119.7005 65.2637 37.0420 179.1680 174 R 3.9403 7.8901 119.9438 61.9059 29.2372 180.2700 175 A 4.3179 7.8118 120.0602 54.5181 18.3824 177.6066 176 V 3.7428 7.9034 121.5729 63.2417 31.6122 175.5484 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 A 8.26 4.44 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 4 I 7.94 4.19 2.07 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 1.13 0.56 0.96 0.00 0.00 5 K 9.86 4.70 0.00 1.78 1.72 0.00 1.34 0.00 0.00 1.32 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.99 1.21 7.81 6 C 8.98 5.14 0.00 3.08 3.05 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 7 V 8.14 4.55 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 1.17 0.00 0.00 0.55 0.00 0.00 8 V 8.52 4.57 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 0.75 0.00 0.00 0.97 0.00 0.00 9 V 9.34 4.50 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 1.14 0.00 0.00 0.71 0.00 0.00 10 G 8.00 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 0.00 0.00 0.00 11 D 8.09 4.57 0.00 2.93 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 12 G 8.90 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 13 A 8.38 3.71 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 14 V 7.28 3.89 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 0.73 0.00 0.00 0.97 0.00 0.00 15 G 8.09 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 0.00 0.00 0.00 16 K 7.67 3.80 0.00 1.76 1.98 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.45 7.81 17 T 7.97 3.75 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 1.35 0.00 0.00 18 C 7.89 3.97 0.00 2.94 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 19 L 7.70 4.09 0.00 1.71 1.70 0.92 0.68 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 20 L 7.67 3.93 0.00 1.09 0.13 0.57 0.85 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 21 I 7.40 3.81 1.73 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 1.66 0.73 0.82 0.00 0.00 22 S 8.72 4.43 0.00 4.14 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 23 Y 8.23 4.11 0.00 2.87 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 24 T 7.78 3.44 3.28 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 0.69 0.00 0.00 25 T 7.92 3.88 4.37 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 1.26 0.00 0.00 26 N 8.16 4.17 0.00 2.94 2.77 0.00 0.00 6.81 8.05 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 27 A 7.27 4.43 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 28 F 8.86 4.57 0.00 2.95 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 29 P 0.00 4.52 0.00 2.23 2.02 0.00 2.41 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.65 0.00 30 G 7.27 3.60 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 0.00 *32 Y 8.37 4.64 0.00 2.93 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 33 I 7.75 3.96 1.63 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.43 0.65 0.00 0.00 34 P 0.00 4.00 0.00 1.96 1.94 0.00 3.45 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 35 T 8.36 3.99 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 36 V 7.57 3.84 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 0.76 0.00 0.00 0.96 0.00 0.00 37 F 8.52 4.65 0.00 2.92 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 38 D 8.06 4.30 0.00 2.41 2.34 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.26 4.07 0.00 2.16 2.18 0.00 0.00 6.71 7.46 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 40 Y 8.62 4.27 0.00 2.87 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 41 S 8.22 5.10 0.00 3.76 3.58 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 42 A 9.49 4.78 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 43 N 8.82 5.43 0.00 2.58 2.74 0.00 0.00 6.54 7.68 0.00 0.00 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 8.61 4.74 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 0.72 0.00 0.00 0.93 0.00 0.00 45 M 8.21 5.77 0.00 1.96 1.80 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.06 0.00 *49 K 8.23 4.02 0.00 1.95 1.88 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.01 7.81 50 P 0.00 4.93 0.00 2.18 2.09 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 51 V 8.08 4.37 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 0.96 0.00 0.00 0.99 0.00 0.00 52 N 8.69 4.96 0.00 2.79 2.75 0.00 0.00 6.61 6.66 0.00 0.00 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 L 9.39 4.86 0.00 1.86 1.62 1.07 1.17 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 54 G 9.08 4.62 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 55 L 9.08 5.69 0.00 1.93 1.75 0.89 0.84 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 56 W 8.94 5.13 0.00 3.24 3.27 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 57 D 9.28 4.98 0.00 2.92 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 66 R 7.85 4.47 0.00 1.83 2.02 0.00 3.38 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 67 L 7.97 4.23 0.00 1.78 1.73 0.82 0.89 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 68 R 8.13 4.00 0.00 2.15 2.58 0.00 3.22 0.00 0.00 3.46 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.64 0.00 69 P 0.00 3.05 0.00 1.86 1.94 0.00 3.67 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 1.95 1.97 0.00 70 L 7.46 4.06 0.00 1.73 1.76 0.92 0.86 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 71 S 7.26 4.24 0.00 3.76 3.95 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 72 Y 7.36 4.77 0.00 3.02 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 73 P 0.00 4.37 0.00 2.01 1.99 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 74 Q 8.46 3.39 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 75 T 7.67 4.14 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 0.08 0.00 0.00 76 D 8.74 4.69 0.00 2.61 2.69 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 77 V 6.98 4.41 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 0.60 0.00 0.00 0.91 0.00 0.00 78 F 8.67 5.04 0.00 3.04 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 79 L 8.62 4.66 0.00 1.55 1.47 0.64 0.43 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 80 I 8.40 4.69 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.41 0.96 0.00 0.00 81 C 8.86 5.69 0.00 2.67 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 82 F 7.71 5.14 0.00 3.32 3.30 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 83 S 8.75 5.30 0.00 4.02 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 84 L 9.90 4.34 0.00 1.83 1.79 1.12 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.20 4.53 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 0.76 0.00 0.00 0.96 0.00 0.00 86 S 8.46 4.22 0.00 3.80 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 87 P 0.00 3.61 0.00 2.32 2.17 0.00 3.68 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 2.09 2.06 0.00 88 A 8.22 4.02 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 89 S 8.43 4.35 0.00 4.29 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 0.00 90 F 8.01 4.09 0.00 2.88 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 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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 T 7.82 4.41 4.47 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 1.22 0.00 0.00 109 P 0.00 4.67 0.00 2.14 2.22 0.00 3.79 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 110 I 7.98 5.30 1.97 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 2.01 0.98 0.00 0.00 111 I 8.44 4.41 1.80 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 1.14 0.39 0.78 0.00 0.00 112 L 8.82 4.97 0.00 1.89 1.79 1.06 1.26 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 0.00 113 V 8.78 4.18 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 0.69 0.00 0.00 0.93 0.00 0.00 114 G 8.02 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 0.00 0.00 0.00 115 T 8.42 4.69 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 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0.00 0.00 0.00 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 0.00 139 Y 8.72 4.16 0.00 3.22 3.06 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 0.00 140 P 0.00 4.24 0.00 2.29 2.32 0.00 3.76 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 141 Q 7.71 3.98 0.00 2.10 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 142 G 8.26 3.58 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 0.00 0.00 0.00 143 L 7.15 3.38 0.00 1.23 1.39 0.84 1.00 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 0.00 144 A 7.79 3.88 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 0.00 145 M 7.86 3.75 0.00 2.18 1.73 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.08 0.00 146 A 8.24 3.97 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 0.00 147 K 8.26 3.83 0.00 1.72 1.83 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.36 7.81 148 E 7.99 4.13 0.00 2.02 1.93 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 2.29 2.37 0.00 149 I 7.35 3.74 0.56 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.30 0.49 0.00 0.00 150 G 8.15 3.78 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 0.00 0.00 0.00 151 A 8.20 4.17 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 0.00 152 V 8.58 4.13 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 0.75 0.00 0.00 0.96 0.00 0.00 153 K 7.80 4.77 0.00 1.44 1.58 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.70 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.35 1.01 7.81 154 Y 8.66 5.29 0.00 2.96 2.72 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 0.00 155 L 7.65 4.74 0.00 1.29 1.26 0.76 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.16 5.45 0.00 1.77 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 2.10 1.81 0.00 157 C 7.85 5.25 0.00 2.96 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 0.00 158 S 7.92 4.98 0.00 4.00 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 0.00 159 A 8.90 4.07 1.48 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 0.00 0.00 160 L 7.53 3.69 0.00 1.68 1.54 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 161 T 8.60 3.91 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 0.00 162 Q 8.00 3.78 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 163 R 7.42 4.07 0.00 2.23 2.08 0.00 2.90 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.44 0.00 164 G 8.99 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 0.00 0.00 0.00 0.00 165 L 7.60 3.95 0.00 1.86 1.91 1.33 0.76 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 0.00 166 K 8.15 4.13 0.00 1.80 1.80 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.44 1.10 7.81 167 T 7.98 4.10 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 1.19 0.00 0.00 168 V 7.07 3.28 1.48 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 0.37 0.00 0.00 0.71 0.00 0.00 169 F 7.60 4.15 0.00 2.86 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 0.00 170 D 7.75 4.53 0.00 2.90 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 0.00 171 E 8.52 3.99 0.00 2.01 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 2.49 2.43 0.00 172 A 7.94 3.95 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 0.00 173 I 7.57 3.86 2.06 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.94 0.95 0.00 0.00 174 R 7.89 3.94 0.00 1.90 1.89 0.00 3.27 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 1.59 1.56 0.00 175 A 7.81 4.32 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 0.00 176 V 7.90 3.74 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 0.75 0.00 0.00 1.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.