NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 H 4.6602 8.4293 117.8550 55.2256 29.6682 172.8915 8 K 4.0681 8.3923 124.2704 56.0304 33.3985 175.3661 9 G 3.9129 9.4570 110.1035 46.6452 0.0000 174.1939 10 T 4.6539 9.4149 117.7244 61.3930 71.3593 173.9109 11 L 4.4652 8.5500 128.6231 54.5605 43.1835 174.8386 12 Y 4.9102 9.0429 125.9641 56.9306 39.9038 175.0984 13 V 4.4728 9.0738 125.7419 61.5554 33.1522 174.5221 14 V 4.8019 9.0561 130.1623 60.8541 33.0423 174.7603 15 A 4.7669 8.5914 131.4011 52.1856 18.7729 176.5577 16 T 4.6788 8.3959 112.4786 59.0909 71.3171 172.9412 17 P 4.5213 0.0000 0.0000 62.4035 32.1011 176.9411 18 L 4.2781 8.5058 120.4288 56.5796 43.6310 178.4796 19 G 3.7272 8.2595 102.5500 45.3848 0.0000 174.8506 20 N 4.4778 9.2710 121.7780 52.7334 39.9866 174.5100 21 L 4.0392 8.5651 126.0399 58.0730 41.7822 177.9354 22 D 4.7157 8.3437 116.0394 55.5746 40.9793 177.3621 23 D 4.5590 7.8293 121.2384 53.4574 39.0320 176.0939 *25 T 4.1940 7.5289 112.9063 61.1423 71.6606 174.9527 26 F 3.8312 8.7030 120.3376 60.4702 39.1046 177.6508 27 R 3.8387 8.2224 117.7629 59.5877 29.2973 178.2160 28 A 3.8815 7.9264 120.2206 55.2129 18.3233 179.8522 29 V 3.2665 7.6361 116.7354 65.9354 31.4821 177.9699 30 N 4.2443 8.5372 116.7822 56.4390 38.0641 177.3953 31 T 3.5753 7.3754 116.1536 66.4504 68.8301 176.2375 32 L 4.0920 7.4309 120.0754 57.9799 41.4506 179.8595 33 R 3.9696 7.8681 116.7789 58.7330 30.0571 177.8902 34 N 4.6518 7.9064 113.1754 52.3049 39.3161 175.1487 35 A 4.3855 7.1649 123.8041 51.5791 19.4721 178.1800 36 G 3.9127 8.9584 108.6679 48.8380 0.0000 173.6231 37 A 4.9616 7.7757 119.9385 50.9041 23.1205 175.0579 38 I 4.9263 8.9560 120.2842 59.5111 40.3346 174.6530 39 A 5.3218 8.8915 129.6622 50.7313 21.0420 175.4924 40 C 4.8567 8.8598 115.5951 57.3043 33.1744 175.2142 41 E 3.8832 9.0316 119.7103 59.1586 29.6263 178.0032 42 D 4.6670 7.7009 124.5875 52.8319 41.7540 176.4023 43 T 3.8581 8.2785 122.3133 65.1141 67.5726 175.6820 44 R 3.8659 8.0338 120.2128 59.4996 30.1612 178.3425 45 R 3.9450 8.2545 118.3634 59.6511 30.0711 178.6433 46 T 3.9647 7.8757 115.2442 66.5690 68.3909 176.9907 47 S 4.1643 8.4196 117.5345 61.5167 62.8158 176.6053 48 I 3.6897 7.7757 122.6009 64.2166 36.7204 178.0676 49 L 3.9836 7.8802 120.9717 58.3892 41.9122 179.0998 50 L 4.1271 8.1034 118.8190 57.7265 41.6153 179.5031 51 K 3.9384 8.2931 119.6927 59.6228 31.8866 178.2440 52 H 3.9551 8.0876 117.8706 58.8229 29.7780 176.2817 53 F 4.6746 7.7329 116.1702 56.6701 39.0469 176.3264 54 G 3.7910 7.7096 106.4512 46.1813 0.0000 173.8182 55 I 4.2370 7.9288 121.1476 59.7394 37.1108 175.1737 56 E 4.6677 8.8080 124.6977 55.5086 32.1982 176.9306 57 G 3.9880 8.8660 109.6409 45.0812 0.0000 173.9660 58 K 4.1399 7.5708 119.3102 55.7674 32.9559 176.6475 59 R 4.0752 8.5639 124.0975 56.5827 31.0530 175.0119 60 L 5.2155 8.5065 125.8989 53.2963 44.0989 175.9151 61 V 4.4800 8.8115 122.5556 61.1118 34.3124 174.1722 62 S 5.0317 8.9101 125.3966 58.0524 64.4146 175.2209 *63 Y 4.3638 8.7410 127.3341 56.2727 34.7475 170.3649 64 H 4.3915 8.5030 125.5841 57.9021 32.2048 176.2998 *66 F 4.6795 7.8668 113.3483 56.0849 38.9229 175.7052 67 N 4.8663 8.0001 120.7725 55.8074 39.5364 177.6683 68 E 4.2688 8.4021 119.6030 60.9270 30.5828 180.0090 69 E 4.1908 8.1709 119.2991 61.1173 29.7691 180.8749 70 R 4.0968 8.0162 118.6910 59.2268 30.1507 178.4260 71 A 3.9894 7.5255 117.7647 54.9922 18.3526 179.6351 72 V 3.5352 7.7760 117.0964 66.2269 31.5152 178.4346 73 R 3.9144 8.0692 115.7250 59.4635 29.2819 178.8049 74 Q 4.1201 8.0242 118.3914 58.6039 28.6242 178.9880 75 V 3.5680 7.8437 119.2340 66.0584 31.6241 178.0914 76 I 3.6483 7.8963 119.6795 64.2668 36.9558 177.6716 77 E 3.8979 8.3748 120.3745 59.6007 29.3392 179.0601 78 L 4.1614 7.8030 118.3304 57.8415 41.6576 179.6019 79 L 4.2418 8.0319 120.3414 57.4217 41.3523 179.4736 80 E 4.0034 8.6277 117.7300 59.1436 29.4667 178.4937 81 E 4.2770 8.0153 116.3927 56.9239 29.7120 177.5911 82 G 3.9747 8.0947 107.2968 45.0447 0.0000 173.0004 83 S 4.8267 8.0817 116.1401 56.8076 65.0809 173.5825 84 D 4.7903 8.6746 123.5489 54.2542 42.3948 175.2968 85 V 4.9137 8.6292 121.3670 61.0680 34.9795 173.9201 86 A 5.1722 8.6768 129.2773 50.3121 21.1104 175.3852 87 L 4.7230 9.4425 127.2548 54.1417 43.3708 175.6066 88 V 4.6208 8.4357 127.9760 62.4499 32.3682 175.1741 89 T 4.7929 8.6375 117.0011 59.6799 72.1497 174.5672 90 D 4.1395 8.8561 121.1991 56.8316 40.8936 176.7461 *100 G 3.8558 7.4070 109.3196 46.3356 0.0000 174.1591 *101 Y 4.0962 7.7962 116.0181 59.5497 37.7255 181.0276 102 T 4.0022 8.0167 113.8677 64.9010 68.7321 175.4176 *104 A 4.1918 7.9491 126.3730 52.3633 20.7543 179.9027 105 S 4.1321 8.4635 111.9719 61.7596 63.0130 176.5173 106 A 3.9617 8.1507 123.2882 55.2048 17.9822 179.6207 107 A 3.8880 7.8475 118.5481 55.5290 18.5863 179.0014 108 H 4.0535 8.3042 114.8330 59.4305 28.6605 177.7464 109 A 4.1464 8.0730 120.5875 54.9108 18.2943 178.6604 110 A 4.2986 7.7512 116.2492 52.3092 18.8014 178.1773 111 G 3.8265 8.3203 105.9442 45.3991 0.0000 173.1467 112 L 4.7175 7.7783 119.4757 51.9477 43.1882 175.0143 113 P 4.3467 0.0000 0.0000 62.9487 32.6055 175.0847 114 V 4.6130 8.2644 122.4094 61.0041 34.0305 174.4916 115 V 4.4535 8.7259 128.3839 60.2091 33.7869 172.8665 116 P 4.7907 0.0000 0.0000 62.9824 32.4873 176.7103 117 V 4.4145 9.1871 123.1642 60.3593 32.2576 173.7772 118 P 4.4768 0.0000 0.0000 62.2951 31.5334 176.4976 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 7 H 8.43 4.66 0.00 3.15 3.36 0.00 5.67 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.39 4.07 0.00 1.93 1.81 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.43 7.81 9 G 9.46 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 0.00 0.00 0.00 10 T 9.41 4.65 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 0.33 0.00 0.00 11 L 8.55 4.47 0.00 1.67 1.44 0.96 0.89 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 12 Y 9.04 4.91 0.00 2.94 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 13 V 9.07 4.47 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 0.78 0.00 0.00 0.93 0.00 0.00 14 V 9.06 4.80 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 0.85 0.00 0.00 0.94 0.00 0.00 15 A 8.59 4.77 1.25 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 16 T 8.40 4.68 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 1.22 0.00 0.00 17 P 0.00 4.52 0.00 2.13 2.03 0.00 3.70 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 2.18 2.12 0.00 18 L 8.51 4.28 0.00 1.64 1.73 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.26 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 20 N 9.27 4.48 0.00 2.73 2.70 0.00 0.00 6.88 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 21 L 8.57 4.04 0.00 1.32 1.54 0.71 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.34 4.72 0.00 2.80 2.76 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 23 D 7.83 4.56 0.00 2.85 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 *25 T 7.53 4.19 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 1.23 0.00 0.00 26 F 8.70 3.83 0.00 3.10 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 27 R 8.22 3.84 0.00 1.88 1.94 0.00 3.18 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 28 A 7.93 3.88 1.28 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 0.00 0.00 0.00 29 V 7.64 3.27 1.61 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 0.61 0.00 0.00 -0.16 0.00 0.00 30 N 8.54 4.24 0.00 2.88 2.79 0.00 0.00 6.97 6.98 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 31 T 7.38 3.58 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 0.64 0.00 0.00 32 L 7.43 4.09 0.00 1.78 1.67 0.85 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.87 3.97 0.00 1.86 1.97 0.00 3.20 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 34 N 7.91 4.65 0.00 2.62 2.82 0.00 0.00 7.00 6.69 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 35 A 7.16 4.39 1.38 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 0.00 0.00 36 G 8.96 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 0.00 0.00 0.00 37 A 7.78 4.96 1.24 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 0.00 0.00 0.00 38 I 8.96 4.93 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 1.17 0.82 0.99 0.00 0.00 39 A 8.89 5.32 1.24 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 0.00 0.00 0.00 40 C 8.86 4.86 0.00 2.97 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 41 E 9.03 3.88 0.00 1.96 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 0.00 2.29 2.22 0.00 42 D 7.70 4.67 0.00 2.68 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 43 T 8.28 3.86 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 1.24 0.00 0.00 44 R 8.03 3.87 0.00 1.93 1.92 0.00 3.23 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 45 R 8.25 3.94 0.00 2.20 1.91 0.00 3.14 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 46 T 7.88 3.96 4.40 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 0.00 0.00 0.00 1.23 0.00 0.00 47 S 8.42 4.16 0.00 4.01 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 48 I 7.78 3.69 2.02 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 1.40 0.74 0.88 0.00 0.00 49 L 7.88 3.98 0.00 1.90 1.97 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.10 4.13 0.00 1.78 1.94 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.29 3.94 0.00 1.83 1.94 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.44 7.81 52 H 8.09 3.96 0.00 3.04 3.19 0.00 5.99 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 7.73 4.67 0.00 3.04 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 54 G 7.71 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 55 I 7.93 4.24 1.92 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 1.32 0.86 0.92 0.00 0.00 56 E 8.81 4.67 0.00 1.92 1.83 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 2.20 2.27 0.00 57 G 8.87 3.99 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 0.00 58 K 7.57 4.14 0.00 1.77 1.77 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.37 7.81 59 R 8.56 4.08 0.00 1.90 1.96 0.00 3.16 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 60 L 8.51 5.22 0.00 1.57 1.58 0.94 0.87 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 61 V 8.81 4.48 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 1.08 0.00 0.00 0.94 0.00 0.00 62 S 8.91 5.03 0.00 3.99 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 *63 Y 8.74 4.36 0.00 2.09 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 0.00 0.00 0.00 0.00 64 H 8.50 4.39 0.00 3.12 3.24 0.00 5.67 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *66 F 7.87 4.68 0.00 2.37 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 0.00 0.00 0.00 0.00 67 N 8.00 4.87 0.00 2.77 2.98 0.00 0.00 7.20 9.00 0.00 0.00 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 E 8.40 4.27 0.00 2.01 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 2.27 1.93 0.00 69 E 8.17 4.19 0.00 1.96 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 0.00 2.32 1.95 0.00 70 R 8.02 4.10 0.00 1.87 2.08 0.00 3.15 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 1.70 1.70 0.00 71 A 7.53 3.99 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 72 V 7.78 3.54 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 1.11 0.00 0.00 0.98 0.00 0.00 73 R 8.07 3.91 0.00 2.09 2.18 0.00 2.83 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 74 Q 8.02 4.12 0.00 2.41 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 75 V 7.84 3.57 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 1.10 0.00 0.00 0.99 0.00 0.00 76 I 7.90 3.65 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.81 0.90 0.00 0.00 77 E 8.37 3.90 0.00 2.01 2.25 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 2.32 2.38 0.00 78 L 7.80 4.16 0.00 1.93 1.71 0.93 0.63 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 79 L 8.03 4.24 0.00 1.81 1.69 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.63 4.00 0.00 2.02 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 0.00 2.53 2.49 0.00 81 E 8.02 4.28 0.00 2.12 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 0.00 2.34 2.44 0.00 82 G 8.09 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 83 S 8.08 4.83 0.00 3.94 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 84 D 8.67 4.79 0.00 2.73 2.85 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 85 V 8.63 4.91 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 1.06 0.00 0.00 0.95 0.00 0.00 86 A 8.68 5.17 1.28 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 0.00 0.00 0.00 87 L 9.44 4.72 0.00 1.72 1.70 1.00 0.69 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 88 V 8.44 4.62 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 0.83 0.00 0.00 0.94 0.00 0.00 89 T 8.64 4.79 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 90 D 8.86 4.14 0.00 2.64 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 *100 G 7.41 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 *101 Y 7.80 4.10 0.00 2.25 2.32 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 0.00 102 T 8.02 4.00 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 *104 A 7.95 4.19 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 0.00 105 S 8.46 4.13 0.00 4.05 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 0.00 106 A 8.15 3.96 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 0.00 107 A 7.85 3.89 1.24 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 0.00 0.00 0.00 108 H 8.30 4.05 0.00 3.40 3.35 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.07 4.15 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 0.00 110 A 7.75 4.30 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 0.00 111 G 8.32 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 0.00 0.00 0.00 112 L 7.78 4.72 0.00 1.61 1.55 0.90 1.26 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 0.00 113 P 0.00 4.35 0.00 2.00 2.12 0.00 3.73 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 1.99 1.91 0.00 114 V 8.26 4.61 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 0.77 0.00 0.00 0.67 0.00 0.00 115 V 8.73 4.45 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 1.06 0.00 0.00 0.77 0.00 0.00 116 P 0.00 4.79 0.00 2.14 2.05 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 117 V 9.19 4.41 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 0.97 0.00 0.00 1.04 0.00 0.00 118 P 0.00 4.48 0.00 2.22 2.02 0.00 3.86 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.