NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.0540 8.0093 121.4427 61.2868 38.3376 175.8658 5 D 4.3238 8.1969 126.2062 51.8897 42.5351 175.4549 6 Y 4.2360 8.2838 116.4538 60.7803 38.1732 179.5861 7 K 3.9769 8.1420 120.2774 59.8798 32.3752 178.6855 8 T 3.9324 8.4015 115.7328 66.6371 68.2617 176.1533 9 A 4.0374 8.2044 122.5985 55.2947 18.1874 179.2670 10 F 4.0982 8.0854 117.4858 62.1326 39.5574 176.9195 11 H 4.4705 8.3092 113.9959 58.1809 28.6091 176.8727 12 L 4.2227 8.0917 120.8739 55.3757 42.5326 176.7992 13 A 4.0895 7.2602 122.8772 52.0046 18.7225 176.1041 14 P 4.5139 0.0000 0.0000 63.3401 31.7856 175.8079 15 I 4.6944 6.9919 112.0465 58.7067 40.7031 175.6506 16 G 3.9518 8.9128 111.1794 46.6292 0.0000 172.5638 17 L 5.5567 9.2657 123.8374 52.8295 45.9895 175.7529 18 V 5.1870 9.3055 121.8552 61.3737 35.3287 173.9187 19 L 5.3429 9.3841 128.3652 53.5502 43.3706 175.8857 20 S 5.3137 9.4410 118.6730 56.7227 67.0469 173.1485 21 R 4.7659 8.6367 120.3291 55.5992 33.6621 174.7433 22 D 4.9829 9.5252 125.9128 54.6851 38.6784 174.5814 23 R 4.2994 8.1959 112.0847 56.9967 28.0969 175.9515 24 V 4.3851 7.2548 117.4214 60.6580 33.8195 174.6919 25 I 3.9372 8.2025 128.0958 61.4609 37.1155 176.3897 26 E 4.3320 9.1396 128.1026 58.2546 30.5493 176.4403 27 D 4.9857 7.9055 116.9421 53.3126 44.9703 173.7347 28 C 5.9424 8.9901 117.2750 57.6557 33.0517 172.2438 29 N 4.9967 8.3832 116.7984 51.3215 39.5934 175.7234 30 D 4.3970 8.7046 118.3203 57.2814 40.6661 178.5609 31 E 4.0308 8.1632 119.7048 59.0360 29.6446 178.4705 32 L 4.0289 8.0284 120.3875 58.0393 42.1068 178.6454 33 A 4.0431 8.1198 120.0428 55.2159 18.1915 179.2104 34 A 3.9025 8.4183 119.4749 55.4142 18.2431 179.8990 35 I 3.3824 7.7513 117.1986 64.2244 37.3910 177.8529 36 F 4.2626 8.1773 116.2459 56.2047 39.2557 175.8993 37 R 3.9287 7.6409 116.6967 56.9591 27.9072 174.5466 38 C 4.5845 8.3045 111.1604 57.3999 32.8943 172.9485 39 A 4.7387 8.6307 121.5509 50.9071 20.7001 178.5247 40 R 3.9581 8.5927 118.8079 59.4588 29.8753 179.4440 41 A 4.0263 7.9480 118.9571 54.9575 18.4516 178.8291 42 D 4.4274 7.9441 116.5322 56.3720 41.1801 177.6847 43 L 4.5402 7.8221 118.7561 54.2366 42.8592 176.5642 44 I 3.8690 7.2674 119.9865 62.6800 37.1774 176.1708 45 G 3.8334 9.2911 114.3180 45.3274 0.0000 172.6930 46 R 4.2495 7.5912 120.6058 54.2255 31.4434 175.7240 47 S 4.3981 8.3443 119.2659 58.3792 62.9947 174.8350 48 F 4.3920 8.8314 126.6222 60.8713 38.6770 177.4051 49 E 3.2718 7.6341 118.8808 59.3903 28.8515 179.2565 50 V 3.7184 7.4064 110.5924 63.3751 31.6818 177.6345 51 L 4.1451 7.7487 117.5571 55.0601 42.1802 176.5220 52 Y 4.3874 7.1999 117.0249 56.1833 39.0272 174.8329 53 P 4.2564 0.0000 0.0000 65.5043 31.8822 177.1054 54 S 4.6543 7.5069 109.5616 56.1247 67.2911 175.5217 55 S 4.2893 8.5675 117.0778 61.6494 62.6381 176.1073 56 D 4.3597 8.1130 122.0133 57.2828 40.5241 178.5027 57 E 3.8983 8.2038 119.0214 59.2552 29.5452 178.9952 58 F 2.7228 8.0327 122.9744 61.5768 39.4356 177.7699 59 E 3.5739 8.1115 117.7394 60.8572 29.4562 180.9317 60 R 3.9896 7.9646 120.1530 59.3915 30.1141 178.7874 61 I 3.8884 7.8775 119.9176 63.9314 37.1599 178.6175 62 G 3.2848 7.4492 106.3696 47.7748 0.0000 175.6276 63 E 4.0076 7.7019 119.3654 58.5437 29.4588 178.9964 64 R 4.1146 7.3748 118.2961 59.1657 30.6481 178.1628 65 I 3.3629 7.8813 120.0223 64.1703 36.7855 178.2729 66 S 4.2073 7.6314 114.9156 61.2782 63.0479 174.3828 67 P 4.3564 0.0000 0.0000 65.7010 31.6417 178.4486 68 V 3.9438 7.4854 115.4970 63.6278 30.9195 177.4627 *70 I 4.4026 8.1337 119.0848 60.9861 38.7460 177.0460 71 A 4.0840 8.1189 121.6168 54.6479 18.2264 177.8459 72 H 4.7524 8.2179 110.6009 54.9819 30.7110 175.7575 73 G 3.9671 9.7863 106.2542 45.3043 0.0000 172.3382 74 S 4.7245 7.4085 112.2056 57.7272 66.3059 172.7494 75 Y 4.8354 8.6225 119.9363 56.2295 42.1991 173.3866 76 A 5.0922 7.3703 126.1579 50.8252 22.7341 174.4717 77 D 4.5155 8.6455 118.8805 53.0465 43.4882 173.4933 78 D 5.7023 8.6852 118.0685 52.7837 43.5759 175.9836 79 R 4.8726 9.0715 117.8211 55.0935 33.4051 174.3643 80 I 4.0306 7.4329 120.2252 59.6969 38.4145 175.6543 *82 K 4.3087 8.3239 123.7997 56.2970 32.8594 176.0117 83 R 4.3669 9.1720 125.5456 55.5021 30.7416 176.0097 84 A 4.2147 8.5183 123.8208 54.1580 18.6398 178.3826 85 G 3.9279 8.5313 111.4241 44.4356 0.0000 174.3240 86 G 4.0385 8.1605 106.5368 44.7908 0.0000 173.6368 87 E 4.0785 8.2593 122.1162 56.4508 30.5400 175.6221 88 L 4.9218 8.5906 127.2890 54.3075 42.9877 175.9862 89 F 5.0123 8.0369 115.9129 55.3128 41.6173 173.0991 90 W 4.5518 8.9198 120.2970 56.6414 30.6140 174.8698 91 C 5.3261 9.1813 124.0911 57.9805 34.7761 171.9447 92 H 5.3055 9.5267 126.8941 55.3591 31.1996 173.8562 93 V 5.3493 8.9373 125.3473 60.2554 34.7018 174.2477 94 T 5.1336 8.1515 115.0551 60.2052 72.5805 172.8340 95 G 2.7732 8.6758 108.7568 44.4718 0.0000 171.8280 96 R 4.7726 8.1364 121.9142 54.0056 33.3071 174.6100 97 A 4.6646 8.5844 129.1896 51.5390 19.3894 176.9525 98 L 4.0360 8.7601 123.7913 57.2531 42.4871 177.1655 99 D 4.8155 7.8379 118.0049 51.8846 43.4313 176.1348 100 R 3.9294 8.6828 123.8255 59.0739 29.6671 178.0212 101 T 4.2353 8.0464 106.6520 62.1808 69.9538 174.7424 102 A 4.7874 7.9360 126.1148 49.9643 18.5761 175.0467 103 P 4.3490 0.0000 0.0000 64.3848 32.4411 178.3991 104 L 4.7414 7.8946 116.0879 54.2402 42.8864 176.1970 105 A 5.1552 7.8835 126.9669 51.2403 18.3574 177.5480 106 A 4.9090 8.1249 117.0575 53.1786 19.8106 177.2992 107 G 4.4277 8.4301 107.2565 45.8711 0.0000 172.0162 108 V 5.1389 8.3262 120.0680 60.8147 33.8017 174.4356 109 W 5.3382 9.5055 127.3618 55.0385 33.0858 174.4422 110 T 5.3398 9.0584 113.7518 60.0772 71.8015 172.9766 111 F 5.3104 9.3334 121.2608 55.9704 43.5045 173.4182 112 E 5.0592 9.3149 123.6759 54.3776 33.1675 173.6646 113 D 5.1059 8.9403 127.1123 54.5183 41.4328 175.8170 114 L 4.5278 9.3217 126.4543 55.9982 41.7884 178.1737 115 S 4.3400 9.1040 113.4753 59.4939 63.7705 174.1771 116 A 4.2756 7.9015 128.2028 52.2152 18.8574 176.5513 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 4 I 8.01 4.05 1.84 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 1.47 1.05 0.91 0.00 0.00 5 D 8.20 4.32 0.00 2.91 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 6 Y 8.28 4.24 0.00 3.06 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 7 K 8.14 3.98 0.00 1.88 1.88 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.66 1.62 7.81 8 T 8.40 3.93 4.44 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 1.25 0.00 0.00 9 A 8.20 4.04 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 10 F 8.09 4.10 0.00 3.12 3.23 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 11 H 8.31 4.47 0.00 3.32 3.42 0.00 5.70 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.09 4.22 0.00 1.78 1.78 0.94 1.24 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 13 A 7.26 4.09 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 14 P 0.00 4.51 0.00 2.20 2.18 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 15 I 6.99 4.69 2.09 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.78 0.95 0.00 0.00 16 G 8.91 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 17 L 9.27 5.56 0.00 0.86 1.42 0.77 0.64 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 18 V 9.31 5.19 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 1.25 0.00 0.00 1.22 0.00 0.00 19 L 9.38 5.34 0.00 1.66 1.62 0.64 0.80 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 20 S 9.44 5.31 0.00 3.87 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 0.00 21 R 8.64 4.77 0.00 1.91 1.76 0.00 3.25 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 22 D 9.53 4.98 0.00 2.89 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 23 R 8.20 4.30 0.00 2.27 2.44 0.00 2.96 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 24 V 7.25 4.39 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 0.99 0.00 0.00 0.86 0.00 0.00 25 I 8.20 3.94 1.86 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.30 0.91 0.00 0.00 26 E 9.14 4.33 0.00 1.98 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 2.28 2.39 0.00 27 D 7.91 4.99 0.00 2.72 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.99 5.94 0.00 3.19 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 N 8.38 5.00 0.00 2.65 2.37 0.00 0.00 5.93 8.07 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 30 D 8.70 4.40 0.00 2.74 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 31 E 8.16 4.03 0.00 2.17 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 0.00 2.44 2.46 0.00 32 L 8.03 4.03 0.00 1.81 1.81 0.75 0.90 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 33 A 8.12 4.04 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.42 3.90 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 35 I 7.75 3.38 1.92 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 1.42 0.70 0.30 0.00 0.00 36 F 8.18 4.26 0.00 3.08 3.08 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 0.00 0.00 0.00 0.00 37 R 7.64 3.93 0.00 1.88 1.96 0.00 3.22 0.00 0.00 3.39 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 38 C 8.30 4.58 0.00 3.25 2.92 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 39 A 8.63 4.74 1.32 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 0.00 0.00 40 R 8.59 3.96 0.00 1.89 2.04 0.00 3.26 0.00 0.00 3.44 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.86 0.00 41 A 7.95 4.03 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 42 D 7.94 4.43 0.00 2.83 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 43 L 7.82 4.54 0.00 1.75 1.58 0.89 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.27 3.87 1.86 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 1.58 0.76 0.90 0.00 0.00 45 G 9.29 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 46 R 7.59 4.25 0.00 1.81 1.71 0.00 3.17 0.00 0.00 3.06 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 47 S 8.34 4.40 0.00 3.74 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.83 4.39 0.00 3.34 3.25 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 49 E 7.63 3.27 0.00 1.16 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 1.79 2.03 0.00 50 V 7.41 3.72 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 0.68 0.00 0.00 0.85 0.00 0.00 51 L 7.75 4.15 0.00 1.34 1.16 0.34 0.06 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 52 Y 7.20 4.39 0.00 3.27 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 53 P 0.00 4.26 0.00 2.06 2.10 0.00 3.89 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 2.00 2.00 0.00 54 S 7.51 4.65 0.00 4.09 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 55 S 8.57 4.29 0.00 4.12 4.17 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 56 D 8.11 4.36 0.00 2.71 2.75 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 57 E 8.20 3.90 0.00 2.23 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 2.35 2.49 0.00 58 F 8.03 2.72 0.00 2.75 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 59 E 8.11 3.57 0.00 2.03 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 2.24 2.18 0.00 60 R 7.96 3.99 0.00 1.89 1.88 0.00 3.06 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 1.60 1.64 0.00 61 I 7.88 3.89 1.83 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.55 1.01 0.00 0.00 62 G 7.45 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 0.00 0.00 0.00 0.00 63 E 7.70 4.01 0.00 2.06 1.97 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 2.26 2.32 0.00 64 R 7.37 4.11 0.00 1.78 2.16 0.00 3.38 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.90 0.00 65 I 7.88 3.36 1.62 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.39 0.78 0.00 0.00 66 S 7.63 4.21 0.00 3.84 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 67 P 0.00 4.36 0.00 2.23 2.31 0.00 3.75 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 2.10 1.96 0.00 68 V 7.49 3.94 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 1.14 0.00 0.00 *70 I 8.13 4.40 1.87 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 1.52 1.72 0.91 0.00 0.00 71 A 8.12 4.08 1.16 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 72 H 8.22 4.75 0.00 3.27 3.31 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 9.79 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 74 S 7.41 4.72 0.00 3.76 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 75 Y 8.62 4.84 0.00 3.12 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 76 A 7.37 5.09 1.03 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 0.00 0.00 77 D 8.65 4.52 0.00 2.84 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 78 D 8.69 5.70 0.00 2.65 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 79 R 9.07 4.87 0.00 1.85 2.11 0.00 3.14 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 1.42 1.83 0.00 80 I 7.43 4.03 1.41 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.52 0.00 0.00 *82 K 8.32 4.31 0.00 1.78 1.86 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.63 7.81 83 R 9.17 4.37 0.00 1.88 1.79 0.00 3.05 0.00 0.00 2.91 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.76 0.00 84 A 8.52 4.21 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 85 G 8.53 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 0.00 0.00 0.00 0.00 86 G 8.16 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 87 E 8.26 4.08 0.00 2.08 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 2.43 2.38 0.00 88 L 8.59 4.92 0.00 1.55 1.46 0.88 0.85 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 89 F 8.04 5.01 0.00 3.15 3.02 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 90 W 8.92 4.55 0.00 3.37 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 91 C 9.18 5.33 0.00 2.50 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 92 H 9.53 5.31 0.00 3.31 3.22 0.00 5.59 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.94 5.35 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 0.75 0.00 0.00 0.81 0.00 0.00 94 T 8.15 5.13 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 1.07 0.00 0.00 95 G 8.68 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 0.00 0.00 0.00 96 R 8.14 4.77 0.00 1.68 1.58 0.00 3.03 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 1.64 0.00 97 A 8.58 4.66 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.76 4.04 0.00 1.60 1.74 0.92 1.13 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 99 D 7.84 4.82 0.00 2.74 2.47 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 0.00 100 R 8.68 3.93 0.00 2.04 2.18 0.00 3.26 0.00 0.00 3.39 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 101 T 8.05 4.24 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 1.21 0.00 0.00 102 A 7.94 4.79 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 0.00 103 P 0.00 4.35 0.00 2.24 2.24 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 104 L 7.89 4.74 0.00 1.74 1.74 0.87 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.88 5.16 1.32 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 0.00 0.00 106 A 8.12 4.91 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 0.00 107 G 8.43 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 0.00 0.00 0.00 0.00 108 V 8.33 5.14 2.04 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 1.14 0.00 0.00 0.98 0.00 0.00 109 W 9.51 5.34 0.00 3.72 3.08 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 0.00 0.00 0.00 0.00 110 T 9.06 5.34 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 1.23 0.00 0.00 111 F 9.33 5.31 0.00 3.14 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 0.00 112 E 9.31 5.06 0.00 2.10 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 2.27 2.31 0.00 113 D 8.94 5.11 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 0.00 114 L 9.32 4.53 0.00 1.84 1.76 1.09 0.87 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 0.00 115 S 9.10 4.34 0.00 4.04 4.17 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 0.00 116 A 7.90 4.28 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 * Residues marked with a * may have inaccurate shift predictions.