NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 G 3.8211 8.3393 109.7281 45.8142 0.0000 173.4260 6 T 2.6962 7.9603 107.5392 59.6109 69.0053 171.8673 7 E 4.4882 7.6798 119.4498 56.3399 31.6841 177.4167 8 N 4.7836 7.7980 118.3907 52.2528 40.0732 175.6770 9 L 3.9276 8.3542 121.4298 58.2291 41.6054 179.5531 10 Y 4.0241 7.7473 117.4162 60.3219 37.8796 177.6629 11 F 4.0722 8.4906 121.1575 61.7127 39.3474 177.0734 12 Q 3.9085 8.3488 117.5916 58.8391 27.9455 179.0336 13 S 4.0880 8.2176 115.4116 61.4593 63.0927 176.1432 14 N 4.2637 8.3916 120.4171 56.0750 38.3079 177.2293 15 A 3.8062 7.8298 122.2670 54.9455 18.3642 178.9125 16 Y 4.0641 8.1608 118.3005 61.1963 38.8973 178.8022 17 R 3.6560 7.9879 118.5028 58.9292 30.0641 179.0699 18 A 3.9549 7.8895 120.6316 55.0335 18.3757 179.4608 19 L 3.8783 8.2849 119.3760 58.0320 41.9139 178.8254 20 F 3.8487 8.1220 119.9849 61.2749 39.3546 176.3704 21 E 3.9577 7.9362 117.3147 59.1472 29.5717 177.6503 22 H 4.6686 7.9421 112.7368 54.7686 29.9725 175.3885 23 A 4.0887 7.4558 124.3483 52.5310 18.8146 177.8475 24 I 3.9137 8.2934 122.4557 64.3176 37.6363 176.9203 25 D 4.5948 7.8287 118.2013 53.8482 41.6927 176.8148 26 G 3.8567 8.8534 108.7881 46.4713 0.0000 172.7571 27 I 5.3196 8.9436 124.0184 59.2177 41.2639 174.4895 28 F 5.5931 8.8594 120.7135 55.3222 41.7470 173.6083 29 I 5.4678 9.3279 120.6375 58.5981 41.6147 174.1636 *31 D 4.3872 8.3444 121.8041 52.9886 40.1571 176.1440 32 A 3.9686 8.3083 120.7552 54.3745 18.3647 178.0917 33 E 4.1217 8.1867 113.5311 56.4017 30.1727 177.1715 34 G 3.7336 8.1578 108.2063 45.4963 0.0000 172.7296 35 H 4.9867 8.0059 117.4171 55.0991 29.0754 174.9651 36 Y 4.3613 8.4873 123.5941 58.6702 37.4963 176.0656 37 L 4.6790 9.3536 124.3575 56.0487 43.8109 176.2039 38 D 4.8948 8.0052 115.7285 53.5773 44.7067 174.5348 39 V 5.1248 8.3727 115.2104 60.0001 35.9530 174.3031 40 N 4.1498 8.3121 122.0169 50.9533 39.1595 174.3291 41 P 4.1731 0.0000 0.0000 65.5743 31.2675 178.5944 42 A 3.9517 7.8350 119.0017 55.3940 18.2864 179.6687 43 I 3.7112 7.7845 117.5405 64.6317 37.4004 178.1982 44 C 4.3832 7.9700 117.4822 63.1188 27.7921 176.3814 45 S 4.1443 8.1381 115.1736 61.5710 62.5110 176.3849 46 A 4.1752 7.9712 122.3040 54.6484 18.5421 178.8750 47 I 4.3280 8.0748 109.3366 60.1085 38.0382 176.5794 48 G 4.0425 8.1121 108.2881 46.9217 0.0000 173.0040 49 Y 4.7887 8.0785 115.7069 55.7021 40.7474 176.5349 50 T 4.3410 8.9268 114.0680 61.0666 71.2138 175.8132 51 R 4.0175 8.6362 121.3075 60.0469 29.7902 178.2519 52 D 4.4759 8.1383 116.5983 57.5512 41.2866 178.1799 53 E 4.2120 8.2822 118.7217 59.4277 29.4375 179.2259 54 F 3.8957 8.5679 120.7846 60.9952 39.2795 176.6383 55 L 4.4395 8.0769 116.1684 56.0494 41.5841 177.9036 56 A 4.4856 7.7118 119.5669 51.7656 19.6475 177.0446 57 L 4.6084 7.5306 118.1112 53.9808 43.9551 175.6415 58 D 5.4339 8.5849 120.1842 51.8254 44.6047 175.2591 59 W 4.6628 8.9512 131.3046 59.6782 30.5639 175.3054 60 G 4.1431 9.1790 114.9663 46.2373 0.0000 176.0507 61 V 3.5559 8.1096 119.3450 65.9427 31.9713 178.1451 62 L 3.9796 8.0294 119.6011 57.3392 41.5569 178.5173 63 S 5.1899 7.8867 109.4538 56.4504 63.6111 174.2160 64 R 3.6195 7.5690 117.7909 58.3954 27.7490 176.6334 65 G 4.1985 8.5413 102.5735 45.4646 0.0000 174.8057 66 V 3.6363 7.8184 120.8185 65.7964 32.0013 178.0100 67 D 4.3960 8.1988 118.0341 57.3937 40.7163 178.2487 68 S 4.1488 7.9917 111.7892 59.6703 63.2910 175.2727 69 G 4.0070 8.2984 109.7887 45.3304 0.0000 174.9801 70 W 4.1501 8.3236 129.6700 60.4004 30.6253 177.5989 71 A 3.6107 8.8062 120.7344 55.0511 17.9025 179.3983 72 A 3.9372 8.0278 118.4740 55.2650 18.5671 179.5488 73 A 3.8866 7.9927 119.4104 55.2988 18.4977 180.0584 74 S 3.8578 7.9056 113.2265 61.2467 62.8867 176.2387 75 L 3.5790 7.9377 123.8396 57.7485 41.7448 178.6649 76 A 3.9194 7.9560 120.5073 55.3142 18.2034 179.7769 77 R 3.8051 7.8073 116.2027 59.4213 30.1654 179.3099 78 I 3.8795 7.6103 120.7385 63.9757 36.9120 178.7590 79 V 3.6355 7.8074 118.0003 65.7094 31.4329 177.6196 80 G 3.8100 8.0162 103.3298 45.4158 0.0000 174.1301 81 G 3.9005 7.9652 109.6085 44.9142 0.0000 173.0659 82 E 4.4886 8.2694 121.7700 53.2930 30.8250 173.5463 83 P 4.4198 0.0000 0.0000 62.6923 32.4371 175.9195 84 L 4.4196 8.6288 125.7716 54.6047 43.6794 175.8580 85 R 4.9615 8.3504 126.3456 55.9669 32.4526 173.3411 86 E 4.8572 9.0973 125.3733 55.3649 33.6921 174.3448 87 E 4.8613 8.8855 125.4828 56.2977 30.9335 176.2293 88 R 4.4913 8.8481 121.1682 54.7353 35.2248 174.3989 89 T 4.3093 8.1919 119.6536 63.1279 69.8128 174.0812 90 V 4.7502 8.5124 119.5678 59.2727 35.1743 174.5264 91 W 5.0772 8.8015 123.6358 55.1786 30.8313 176.4497 92 T 4.3491 9.2529 115.8326 60.7078 69.8388 175.5808 93 R 3.6941 8.6969 122.3232 59.6298 29.8135 176.8139 94 N 4.5727 8.1154 111.3251 53.2419 38.7747 175.7277 95 G 4.0514 8.4289 107.5341 45.0573 0.0000 173.7356 96 D 4.6947 7.8674 119.2635 54.1670 42.2791 175.3415 97 Q 4.5292 8.3757 119.4784 54.6952 30.4998 175.2034 98 L 4.7556 8.4215 122.1685 53.1655 45.8184 175.4083 99 T 4.8775 8.2506 118.2738 61.9576 71.0462 173.8329 100 V 4.7059 8.5732 118.4898 59.4914 36.5653 173.9357 101 E 4.7604 9.4419 124.1504 55.0298 31.2547 174.6675 102 L 5.4036 9.2418 127.4381 53.5770 44.2334 175.7450 103 S 5.4637 9.1289 117.9787 56.8876 67.0123 173.0289 104 A 5.1009 8.8001 124.0781 50.8469 22.8781 174.7858 105 H 4.9887 9.0752 118.4447 53.6069 32.9856 172.6569 106 L 4.2838 8.5474 125.3723 54.8898 42.7253 176.4641 107 L 4.4952 8.8511 126.6726 52.8456 43.0676 176.0615 108 P 4.2552 0.0000 0.0000 65.5156 31.3108 177.5805 109 D 4.3813 7.8382 115.6173 53.8444 39.8297 177.0397 110 G 3.9525 7.9555 107.7996 45.1697 0.0000 173.9815 111 K 4.3187 8.0332 119.0322 55.5114 33.5412 175.1996 112 I 4.7677 7.8871 120.6424 59.5592 39.8197 174.3496 113 L 4.5809 8.7455 129.5821 53.4591 43.6655 175.3075 114 G 3.3941 8.7170 113.5569 43.9704 0.0000 171.7188 115 I 5.1602 8.6613 122.3715 59.0497 41.1644 174.3931 116 A 5.3519 9.1710 127.6058 50.3029 21.8468 175.0744 117 R 4.9039 8.9540 122.0297 54.0609 33.2729 175.3945 118 D 4.7833 8.7273 122.9485 54.6688 42.3738 176.4203 119 V 4.0252 7.9530 116.1916 61.8975 32.8912 174.6199 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 5 G 8.34 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 6 T 7.96 2.70 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 0.57 0.00 0.00 7 E 7.68 4.49 0.00 2.08 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 2.18 2.27 0.00 8 N 7.80 4.78 0.00 3.05 3.05 0.00 0.00 6.23 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.35 3.93 0.00 1.34 1.44 0.81 0.73 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 10 Y 7.75 4.02 0.00 3.11 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 11 F 8.49 4.07 0.00 3.25 3.34 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 12 Q 8.35 3.91 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.58 2.78 0.00 13 S 8.22 4.09 0.00 4.02 4.03 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 14 N 8.39 4.26 0.00 2.71 2.82 0.00 0.00 6.94 8.04 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 15 A 7.83 3.81 0.93 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 16 Y 8.16 4.06 0.00 3.00 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 17 R 7.99 3.66 0.00 2.02 1.91 0.00 3.18 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 18 A 7.89 3.95 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 19 L 8.28 3.88 0.00 1.82 1.81 0.93 0.89 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 20 F 8.12 3.85 0.00 2.22 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 21 E 7.94 3.96 0.00 1.96 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 1.86 2.20 0.00 22 H 7.94 4.67 0.00 3.24 3.28 0.00 5.73 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.46 4.09 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 24 I 8.29 3.91 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.44 0.90 0.00 0.00 25 D 7.83 4.59 0.00 2.55 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 26 G 8.85 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 27 I 8.94 5.32 1.54 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 1.26 0.56 1.13 0.00 0.00 28 F 8.86 5.59 0.00 3.35 3.09 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 0.00 0.00 0.00 0.00 29 I 9.33 5.47 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 2.31 0.95 0.00 0.00 *31 D 8.34 4.39 0.00 2.90 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 32 A 8.31 3.97 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 33 E 8.19 4.12 0.00 1.98 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 0.00 2.28 2.32 0.00 34 G 8.16 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 0.00 0.00 0.00 35 H 8.01 4.99 0.00 3.45 3.32 0.00 5.67 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 36 Y 8.49 4.36 0.00 3.23 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 37 L 9.35 4.68 0.00 1.62 1.75 0.95 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.01 4.89 0.00 2.72 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 39 V 8.37 5.12 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.77 0.00 0.00 40 N 8.31 4.15 0.00 1.97 1.42 0.00 0.00 6.93 7.91 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 41 P 0.00 4.17 0.00 2.09 2.11 0.00 3.46 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 42 A 7.84 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 43 I 7.78 3.71 1.73 0.00 0.00 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 1.68 1.12 0.88 0.00 0.00 44 C 7.97 4.38 0.00 3.17 3.21 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 45 S 8.14 4.14 0.00 3.98 3.94 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 0.00 0.00 0.00 46 A 7.97 4.18 1.39 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 0.00 0.00 0.00 47 I 8.07 4.33 1.91 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.14 0.96 0.00 0.00 48 G 8.11 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 0.00 0.00 0.00 0.00 49 Y 8.08 4.79 0.00 2.87 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 50 T 8.93 4.34 4.31 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 1.24 0.00 0.00 51 R 8.64 4.02 0.00 1.98 2.06 0.00 3.29 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.83 0.00 52 D 8.14 4.48 0.00 2.73 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 53 E 8.28 4.21 0.00 2.40 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 0.00 2.36 2.37 0.00 54 F 8.57 3.90 0.00 3.38 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 8.08 4.44 0.00 1.99 1.82 1.15 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.71 4.49 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 57 L 7.53 4.61 0.00 1.77 1.63 -0.17 0.79 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 58 D 8.58 5.43 0.00 2.70 2.68 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 0.00 0.00 0.00 0.00 59 W 8.95 4.66 0.00 3.15 2.97 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 60 G 9.18 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 0.00 0.00 0.00 0.00 61 V 8.11 3.56 2.19 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 0.94 0.00 0.00 1.04 0.00 0.00 62 L 8.03 3.98 0.00 1.65 1.61 0.38 0.34 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 63 S 7.89 5.19 0.00 3.76 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 64 R 7.57 3.62 0.00 1.70 1.73 0.00 2.21 0.00 0.00 2.47 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.14 0.00 65 G 8.54 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 0.00 0.00 0.00 0.00 66 V 7.82 3.64 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 1.02 0.00 0.00 0.97 0.00 0.00 67 D 8.20 4.40 0.00 2.69 2.71 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 S 7.99 4.15 0.00 4.05 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 0.00 69 G 8.30 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 0.00 0.00 0.00 70 W 8.32 4.15 0.00 3.48 3.39 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 0.00 71 A 8.81 3.61 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.03 3.94 1.34 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 0.00 0.00 73 A 7.99 3.89 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 74 S 7.91 3.86 0.00 3.74 3.15 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 75 L 7.94 3.58 0.00 1.84 1.82 0.47 0.94 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 76 A 7.96 3.92 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 77 R 7.81 3.81 0.00 2.00 1.95 0.00 3.28 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 78 I 7.61 3.88 1.80 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.55 0.74 0.00 0.00 79 V 7.81 3.64 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 0.75 0.00 0.00 0.87 0.00 0.00 80 G 8.02 3.81 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 0.00 0.00 0.00 81 G 7.97 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 82 E 8.27 4.49 0.00 2.02 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 2.20 2.25 0.00 83 P 0.00 4.42 0.00 1.92 1.70 0.00 3.71 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 2.04 2.07 0.00 84 L 8.63 4.42 0.00 1.78 1.67 1.30 0.93 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 85 R 8.35 4.96 0.00 1.85 1.81 0.00 3.36 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 86 E 9.10 4.86 0.00 2.24 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 2.31 2.38 0.00 87 E 8.89 4.86 0.00 1.87 1.82 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 2.31 2.35 0.00 88 R 8.85 4.49 0.00 1.50 1.43 0.00 2.79 0.00 0.00 2.53 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00 89 T 8.19 4.31 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 0.11 0.00 0.00 90 V 8.51 4.75 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.83 0.00 0.00 91 W 8.80 5.08 0.00 3.20 2.94 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 0.00 0.00 0.00 92 T 9.25 4.35 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 1.22 0.00 0.00 93 R 8.70 3.69 0.00 1.43 1.90 0.00 2.96 0.00 0.00 2.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.49 0.00 94 N 8.12 4.57 0.00 2.73 2.82 0.00 0.00 7.11 7.65 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 95 G 8.43 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 96 D 7.87 4.69 0.00 2.63 2.57 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 97 Q 8.38 4.53 0.00 1.73 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.72 0.00 0.00 0.00 0.00 0.00 1.34 2.27 0.00 98 L 8.42 4.76 0.00 1.46 1.42 0.84 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.25 4.88 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 1.12 0.00 0.00 100 V 8.57 4.71 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 0.71 0.00 0.00 0.95 0.00 0.00 101 E 9.44 4.76 0.00 2.03 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 2.30 2.32 0.00 102 L 9.24 5.40 0.00 1.97 1.93 1.21 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 103 S 9.13 5.46 0.00 3.80 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 0.00 104 A 8.80 5.10 1.17 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 0.00 0.00 105 H 9.08 4.99 0.00 3.04 3.12 0.00 5.81 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 0.00 106 L 8.55 4.28 0.00 1.69 1.52 0.90 0.98 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 0.00 107 L 8.85 4.50 0.00 1.75 1.56 0.80 0.73 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 0.00 108 P 0.00 4.26 0.00 1.98 2.08 0.00 3.60 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 1.98 2.04 0.00 109 D 7.84 4.38 0.00 2.71 2.71 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 0.00 110 G 7.96 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 0.00 0.00 0.00 111 K 8.03 4.32 0.00 1.87 1.66 0.00 1.54 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.34 7.81 112 I 7.89 4.77 1.69 0.00 0.00 0.59 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 1.39 0.75 0.00 0.00 113 L 8.75 4.58 0.00 1.68 1.46 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.72 3.39 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 0.00 0.00 0.00 0.00 115 I 8.66 5.16 1.90 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 1.14 0.83 0.97 0.00 0.00 116 A 9.17 5.35 1.39 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 0.00 0.00 0.00 117 R 8.95 4.90 0.00 1.76 1.82 0.00 3.16 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.57 0.00 118 D 8.73 4.78 0.00 2.68 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 0.00 119 V 7.95 4.03 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 0.66 0.00 0.00 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.