NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9021 8.3549 109.7354 45.0654 0.0000 173.9951 4 D 4.2989 8.1759 119.2512 54.0797 41.4661 174.3645 5 T 4.6325 8.1637 117.1446 62.2732 71.8950 174.0831 6 T 5.4564 8.2994 116.9180 60.3162 71.4966 173.5947 7 I 4.3579 7.8214 118.3096 60.4867 41.2684 172.6039 8 T 5.1465 8.5764 124.8545 61.8926 70.7197 173.9393 9 V 4.5039 9.0750 125.2768 61.0647 35.7251 174.1561 10 V 5.0509 7.4276 125.9855 60.6757 34.3822 174.3320 11 G 4.0698 7.7385 113.7349 46.5193 0.0000 170.8813 12 N 5.6378 7.9945 117.2305 50.9766 42.2911 174.4557 13 L 4.6812 8.4134 123.2092 55.3120 42.0199 178.4917 14 T 4.0824 8.7758 114.9334 64.3872 69.4917 173.7800 15 A 4.6030 7.6433 122.5635 50.6968 22.2679 174.9200 16 D 4.5228 8.3909 118.7454 53.8089 41.3389 175.0841 17 P 4.5839 0.0000 0.0000 62.8681 32.2598 176.0356 18 E 4.2322 9.2742 125.1985 55.7243 30.1708 175.2256 19 L 4.9289 8.3412 127.4934 53.8262 43.3711 175.6859 20 R 4.8199 8.8269 124.3691 54.4269 35.2042 174.0262 21 F 5.8597 8.8520 118.3211 54.7594 41.4185 175.8943 22 T 4.1637 8.6679 114.2673 60.5076 69.4394 173.1143 23 P 4.2845 0.0000 0.0000 66.2176 30.9969 177.6949 24 S 4.1299 8.2037 113.7468 60.1318 62.7262 175.4678 25 G 4.0551 8.5330 107.2709 44.6572 0.0000 173.5114 26 A 4.4973 7.9622 121.2967 51.8414 20.1013 176.2439 27 A 4.3639 8.5168 121.2880 50.3520 21.5638 176.4055 28 V 4.1684 8.2776 120.2317 60.6803 35.3257 173.9773 29 A 5.1499 8.5087 129.0280 50.2607 21.4338 174.7076 30 N 5.1628 8.6869 120.6822 51.4643 41.3148 174.1177 31 F 5.1487 8.2609 117.0530 55.9569 41.9536 172.7947 32 T 5.1031 8.6886 115.1127 60.4490 70.3763 172.7310 33 V 4.5890 8.8568 128.2460 61.9338 33.7861 174.6315 34 A 4.6422 8.6168 129.2061 49.9696 20.9000 174.8714 35 S 4.7503 8.3842 117.1459 58.4333 63.7657 173.1374 36 T 4.8610 8.2279 122.9932 61.0947 71.4221 172.1290 37 P 4.3076 0.0000 0.0000 63.1255 32.1011 177.3866 38 R 4.1524 8.2359 119.9763 55.6584 31.3600 172.8812 *50 G 3.7494 8.3293 112.4860 43.6465 0.0000 170.7963 51 E 3.6813 8.6441 118.9698 56.3801 29.5790 176.7678 52 A 4.5792 8.4953 127.5425 50.7587 21.4993 175.5794 53 L 4.4978 8.2599 121.3269 53.7647 43.5346 175.0883 54 F 5.3142 8.9106 125.3819 56.0138 40.9776 175.5668 55 L 4.7648 8.8902 122.5776 52.7392 45.6132 176.1961 56 R 4.2143 8.8293 123.7624 56.7601 31.1607 175.5455 57 C 5.2815 8.9850 121.8043 57.6167 32.1452 172.7115 58 N 5.0803 8.5754 119.4498 50.9314 39.9872 173.1368 59 I 5.0520 8.5216 121.3419 59.1319 41.7550 173.9068 60 W 5.2468 8.7086 125.2598 54.8352 32.7958 178.1999 61 R 4.0561 9.0423 120.6199 58.3057 28.1223 179.4686 62 E 4.1337 8.9527 123.9741 60.3276 29.2560 178.0917 63 A 4.0305 8.1390 120.1331 55.0053 18.3541 179.3907 64 A 3.9371 7.7028 117.9750 55.3540 18.4520 179.7135 65 E 3.8680 8.1054 116.5175 59.6001 29.6718 178.7300 66 N 4.2231 8.1532 116.5733 56.6581 38.6926 177.2241 67 V 3.4773 8.0211 118.9956 66.0869 31.3404 177.9000 68 A 3.9571 7.6220 118.8104 55.2523 18.3222 179.0974 69 E 4.0486 8.0814 115.8324 59.4777 29.6012 179.3397 70 S 4.3698 7.9158 113.5698 59.5585 63.6498 174.6677 71 L 4.5959 7.4235 119.6646 53.4946 43.6469 175.1106 72 T 4.5736 7.8505 114.0641 60.3188 70.7723 172.8304 73 R 4.0688 8.4869 123.2723 57.6325 30.2477 177.3755 74 G 4.0154 8.9543 111.7894 45.9092 0.0000 174.1767 75 S 4.1775 7.7261 117.2053 58.7225 63.9852 173.9381 76 R 4.5382 8.6779 125.7225 56.6479 31.2584 175.5649 77 V 4.9954 8.9255 118.3081 59.9336 37.0495 173.9160 78 I 4.9607 8.4869 122.4621 59.6541 40.2119 175.2092 79 V 4.8247 8.9142 126.0209 61.5652 34.7374 173.7382 80 T 5.4106 7.8646 122.6533 59.6956 70.2719 173.7157 81 G 4.2535 7.8897 112.0487 46.8669 0.0000 171.2760 82 R 5.2159 7.9343 118.4637 54.5714 32.3778 176.2241 83 L 4.6620 8.5916 123.9717 54.3305 42.4340 176.4166 84 K 4.5129 8.8741 126.7226 54.8251 33.6893 175.0162 85 Q 4.8631 8.5182 125.5040 55.1505 31.3954 175.2141 86 R 4.5631 8.6403 119.9785 55.6125 33.6395 174.2694 87 S 5.4873 8.5415 122.5019 57.4360 65.5168 172.7966 88 F 4.5312 9.0054 118.0181 58.2479 41.8173 171.7839 89 E 4.0495 10.1621 116.7955 57.2781 27.4937 172.7650 90 T 4.3624 8.0339 122.3829 63.9671 74.8502 175.5306 91 R 4.1944 8.2034 120.4187 57.5109 29.9715 182.1848 92 E 4.3660 8.1164 111.3242 56.3480 31.2728 176.3947 93 G 3.8433 8.5440 121.4610 44.1739 0.0000 171.7735 94 E 5.0035 8.3745 122.2333 54.8642 32.0457 175.3756 95 K 3.7123 8.3429 117.4512 57.6585 28.9267 175.4250 96 R 4.6144 7.7565 119.4011 54.5944 33.7419 174.8805 97 T 5.2290 8.5027 118.1732 60.3759 71.4326 172.9065 98 V 4.5692 8.4879 123.4263 61.2868 34.7450 174.2614 99 V 5.1389 8.4163 126.6898 61.5435 35.0198 173.4986 100 E 4.8839 8.6518 123.2518 55.6700 33.9242 173.4705 101 V 4.7726 8.5477 119.5649 61.1900 34.4312 174.2534 102 E 4.4991 8.9906 128.2804 54.9577 30.0228 175.6670 103 V 4.1463 8.2364 125.3608 63.4063 32.0215 175.3960 104 D 4.7915 9.4340 127.8631 56.0436 42.6666 176.4497 105 E 5.0248 7.9815 115.9831 54.6161 34.0438 174.5100 106 I 5.5604 7.8087 121.8632 58.5720 41.7001 174.3110 107 G 4.3704 8.2715 112.4756 43.9959 0.0000 170.2743 108 P 4.9024 0.0000 0.0000 62.5932 31.7783 176.1203 109 S 4.2896 8.5433 119.6753 58.0079 63.0245 173.7195 110 L 4.9027 8.1759 123.4585 53.7353 42.1921 177.4099 111 R 3.8442 7.5186 119.7763 59.1338 29.8548 177.1087 112 Y 4.9826 7.6017 111.1017 57.2859 38.9123 174.5828 113 A 4.6645 7.5855 122.0789 51.2617 22.2277 175.9064 114 T 4.6527 8.0970 109.1958 60.1392 71.3727 173.7454 115 A 4.4364 8.0062 122.8445 51.0930 21.8206 176.5276 116 K 4.2745 8.4376 123.2450 54.7853 31.3707 176.1940 117 V 3.7397 8.2233 126.3406 62.9923 32.1810 175.8427 118 N 5.1999 8.4222 123.1713 50.3733 41.5601 173.1771 119 K 4.7413 8.0323 123.7065 56.8423 30.8236 177.3417 120 A 4.1794 8.4068 130.4345 53.6634 19.0136 175.8944 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 8.35 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 4 D 8.18 4.30 0.00 2.75 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.16 4.63 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 1.21 0.00 0.00 6 T 8.30 5.46 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 1.25 0.00 0.00 7 I 7.82 4.36 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 1.36 1.07 1.00 0.00 0.00 8 T 8.58 5.15 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 1.21 0.00 0.00 9 V 9.08 4.50 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 1.04 0.00 0.00 0.94 0.00 0.00 10 V 7.43 5.05 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 1.16 0.00 0.00 0.91 0.00 0.00 11 G 7.74 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 0.00 0.00 0.00 12 N 7.99 5.64 0.00 2.71 2.73 0.00 0.00 7.45 6.24 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 13 L 8.41 4.68 0.00 1.76 1.80 0.69 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.78 4.08 4.35 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 1.52 0.00 0.00 15 A 7.64 4.60 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 16 D 8.39 4.52 0.00 2.69 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 17 P 0.00 4.58 0.00 1.93 2.05 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 18 E 9.27 4.23 0.00 2.04 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 2.30 2.25 0.00 19 L 8.34 4.93 0.00 1.56 1.54 0.54 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.83 4.82 0.00 1.54 1.70 0.00 3.00 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 21 F 8.85 5.86 0.00 2.87 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 22 T 8.67 4.16 4.35 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 1.33 0.00 0.00 23 P 0.00 4.28 0.00 2.23 2.29 0.00 3.85 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 24 S 8.20 4.13 0.00 3.97 4.06 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 25 G 8.53 4.06 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 0.00 0.00 0.00 26 A 7.96 4.50 1.45 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 27 A 8.52 4.36 0.88 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 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.28 4.17 1.50 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 -0.45 0.00 0.00 0.14 0.00 0.00 29 A 8.51 5.15 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 30 N 8.69 5.16 0.00 2.62 2.57 0.00 0.00 6.09 7.42 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 31 F 8.26 5.15 0.00 3.00 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 32 T 8.69 5.10 4.39 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 1.26 0.00 0.00 33 V 8.86 4.59 2.15 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 0.88 0.00 0.00 1.10 0.00 0.00 34 A 8.62 4.64 0.99 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 0.00 0.00 35 S 8.38 4.75 0.00 3.92 3.66 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 0.00 0.00 0.00 0.00 36 T 8.23 4.86 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 1.19 0.00 0.00 37 P 0.00 4.31 0.00 2.04 1.97 0.00 3.70 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 2.02 2.06 0.00 38 R 8.24 4.15 0.00 1.78 1.69 0.00 3.30 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 0.00 *50 G 8.33 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 51 E 8.64 3.68 0.00 1.95 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 2.35 2.48 0.00 52 A 8.50 4.58 0.88 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 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.26 4.50 0.00 1.74 1.46 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.91 5.31 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.89 4.76 0.00 1.58 1.55 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.83 4.21 0.00 1.75 1.81 0.00 3.04 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 57 C 8.98 5.28 0.00 1.75 2.45 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 58 N 8.58 5.08 0.00 2.45 2.65 0.00 0.00 6.27 7.36 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 59 I 8.52 5.05 2.07 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.84 1.08 0.00 0.00 60 W 8.71 5.25 0.00 3.08 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 61 R 9.04 4.06 0.00 2.16 1.52 0.00 3.17 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 62 E 8.95 4.13 0.00 2.02 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 2.45 2.35 0.00 63 A 8.14 4.03 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 64 A 7.70 3.94 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 65 E 8.11 3.87 0.00 2.25 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 2.47 2.45 0.00 66 N 8.15 4.22 0.00 2.95 2.89 0.00 0.00 6.70 7.26 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 67 V 8.02 3.48 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 0.68 0.00 0.00 0.93 0.00 0.00 68 A 7.62 3.96 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 69 E 8.08 4.05 0.00 2.12 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 0.00 2.36 2.51 0.00 70 S 7.92 4.37 0.00 3.82 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 71 L 7.42 4.60 0.00 1.48 1.43 0.67 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.85 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 1.20 0.00 0.00 73 R 8.49 4.07 0.00 1.99 1.83 0.00 3.42 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 74 G 8.95 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 75 S 7.73 4.18 0.00 3.93 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 76 R 8.68 4.54 0.00 1.93 1.80 0.00 3.20 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 77 V 8.93 5.00 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 0.76 0.00 0.00 0.92 0.00 0.00 78 I 8.49 4.96 1.86 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 1.08 0.67 0.90 0.00 0.00 79 V 8.91 4.82 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 1.03 0.00 0.00 1.07 0.00 0.00 80 T 7.86 5.41 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 1.25 0.00 0.00 81 G 7.89 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 0.00 0.00 0.00 0.00 82 R 7.93 5.22 0.00 1.79 1.84 0.00 3.11 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 83 L 8.59 4.66 0.00 1.54 1.62 0.93 0.76 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 84 K 8.87 4.51 0.00 1.83 1.68 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.33 7.81 85 Q 8.52 4.86 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.42 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 86 R 8.64 4.56 0.00 1.89 1.67 0.00 3.07 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.63 0.00 87 S 8.54 5.49 0.00 3.87 3.84 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 F 9.01 4.53 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 10.16 4.05 0.00 2.04 2.23 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 2.16 1.86 0.00 90 T 8.03 4.36 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 1.20 0.00 0.00 91 R 8.20 4.19 0.00 1.82 1.83 0.00 3.30 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.00 92 E 8.12 4.37 0.00 1.94 1.75 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 2.14 1.86 0.00 93 G 8.54 3.84 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 0.00 0.00 0.00 94 E 8.37 5.00 0.00 1.90 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 2.21 2.29 0.00 95 K 8.34 3.71 0.00 1.86 1.84 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.32 7.81 96 R 7.76 4.61 0.00 1.41 0.87 0.00 2.82 0.00 0.00 2.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.36 0.00 97 T 8.50 5.23 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 98 V 8.49 4.57 2.15 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 0.84 0.00 0.00 0.87 0.00 0.00 99 V 8.42 5.14 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 0.91 0.00 0.00 0.96 0.00 0.00 100 E 8.65 4.88 0.00 2.07 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 2.32 2.26 0.00 101 V 8.55 4.77 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 0.99 0.00 0.00 0.94 0.00 0.00 102 E 8.99 4.50 0.00 1.98 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 2.38 2.28 0.00 103 V 8.24 4.15 2.21 0.00 0.00 0.00 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 1.11 0.00 0.00 104 D 9.43 4.79 0.00 2.64 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 E 7.98 5.02 0.00 1.84 1.78 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 2.31 2.24 0.00 106 I 7.81 5.56 1.95 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.64 0.92 0.00 0.00 107 G 8.27 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 0.00 0.00 0.00 0.00 108 P 0.00 4.90 0.00 2.06 2.04 0.00 3.73 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 109 S 8.54 4.29 0.00 3.88 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 0.00 110 L 8.18 4.90 0.00 1.61 1.62 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.52 3.84 0.00 1.51 1.46 0.00 2.74 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.20 0.00 112 Y 7.60 4.98 0.00 2.96 2.77 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 0.00 113 A 7.59 4.66 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 0.00 114 T 8.10 4.65 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 1.22 0.00 0.00 115 A 8.01 4.44 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.44 4.27 0.00 1.75 1.80 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.41 7.81 117 V 8.22 3.74 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 0.74 0.00 0.00 0.92 0.00 0.00 118 N 8.42 5.20 0.00 2.75 2.55 0.00 0.00 6.85 7.44 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 0.00 119 K 8.03 4.74 0.00 1.74 1.36 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.43 7.81 120 A 8.41 4.18 1.19 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.