NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3048 8.2649 123.5811 50.8171 19.9555 176.4035 2 P 4.3556 0.0000 0.0000 63.0489 31.6238 175.0878 3 Q 4.5638 8.7821 119.4951 55.7747 31.2569 174.9634 4 N 4.8650 7.5280 115.0306 50.6431 41.4145 174.6884 5 I 3.6390 8.2968 119.4662 64.4699 37.8475 177.7376 6 T 3.8206 7.8845 116.0430 66.7840 68.2148 176.3109 7 E 3.9883 8.5272 119.2912 59.2840 29.7378 179.0037 8 L 4.1255 8.1657 120.5443 58.3047 42.2169 178.2029 9 C 4.4575 8.7944 119.1704 59.4780 43.3716 175.0630 10 S 4.2169 7.9081 113.7038 59.8302 62.7987 175.1080 11 E 4.1734 7.9945 121.4178 56.4818 29.7152 175.4718 12 Y 4.7757 7.1919 116.5681 56.3402 40.5929 174.2326 13 H 4.9076 9.0375 121.1145 55.8438 31.2275 174.4850 14 N 4.2038 8.6611 123.7728 54.9979 35.8815 173.3128 15 T 4.7945 7.7312 105.7431 60.2562 71.9600 173.9727 16 Q 4.6394 8.8849 120.3940 54.4639 33.9467 174.0741 17 I 4.6596 8.2794 121.6166 60.2226 38.6723 174.5751 18 Y 4.4076 9.1064 129.9362 55.9939 40.2088 173.8809 19 E 4.5059 8.5647 128.0665 55.6643 30.5649 173.9265 20 L 4.4422 8.7249 124.9775 54.5700 43.9561 177.5650 21 N 4.2390 7.8935 113.5852 53.8557 36.4836 173.9978 22 K 4.8797 7.7663 114.9837 54.5313 36.8923 176.6659 23 E 4.5728 8.6270 119.3297 55.9461 30.4548 176.5762 24 I 3.4190 8.1439 121.5391 61.2042 37.8095 176.1068 25 K 4.3641 8.5711 127.2426 58.7664 33.0594 177.1715 26 T 4.6745 7.6475 114.8663 61.7512 73.0947 172.3893 27 Y 4.8489 8.0214 125.5665 55.9898 41.3917 174.5311 28 T 4.5992 8.3502 123.3203 61.4730 72.1435 172.8398 29 E 5.0468 8.5012 122.8657 54.6942 32.8636 174.8227 30 S 4.6691 8.7944 115.3803 56.5989 66.5882 172.8077 31 L 4.4855 8.5670 125.7871 54.6831 42.0908 176.0671 32 A 4.7664 8.3689 125.6367 49.5790 22.6145 175.3311 33 G 3.6330 8.3851 107.7827 47.0767 0.0000 175.0764 34 Y 3.8186 9.3961 121.3935 58.6011 37.3239 169.3179 35 R 4.6575 7.6577 114.0383 54.9482 32.5021 173.4693 36 E 4.8229 8.4425 118.6355 55.7439 30.9690 175.9037 37 M 4.3258 8.8352 124.0445 55.3079 34.1435 175.0360 38 V 4.7194 8.2765 124.2246 61.1363 35.1074 173.9296 39 I 5.1469 8.6656 128.4749 59.3822 40.8248 174.4581 40 I 4.9893 8.9643 120.0958 59.2807 40.8004 174.6613 41 S 5.1733 8.7120 118.5652 57.0698 67.5122 173.1028 42 F 5.1456 8.8983 120.2575 55.3494 41.7731 176.8212 43 A 4.0184 8.9664 122.6929 55.0245 18.2576 178.2538 44 N 4.6164 8.2991 111.1651 53.2144 37.7606 176.0607 45 G 3.9122 8.4410 108.3596 44.9266 0.0000 173.8232 46 A 4.0504 8.5341 123.1611 52.3234 19.3801 176.7736 47 T 4.9162 7.6756 118.4295 61.7114 71.9336 173.4763 48 F 5.2928 9.4359 123.9745 55.8559 44.0402 173.5430 49 Q 5.0924 9.2410 118.1996 54.6130 32.6595 174.1579 50 V 4.6374 7.8680 119.8252 61.8684 32.3704 174.5696 51 E 4.7026 8.5659 126.3431 55.6887 31.7992 174.7228 52 V 3.6265 7.9331 122.6324 63.0988 32.7519 175.3535 *64 P 4.4105 0.0000 0.0000 60.7948 33.4538 177.9655 65 L 3.7619 7.8879 115.9603 55.7840 39.1498 176.7723 66 E 4.0424 8.2701 118.9806 59.4637 29.5654 177.7928 67 R 3.8540 7.9439 119.2133 59.3760 30.2784 177.9334 68 M 4.0307 8.0466 117.5031 58.6718 32.2875 178.0285 69 K 4.0438 7.9802 118.0895 59.7058 32.2501 179.0699 70 D 4.3618 8.3704 119.2564 57.6416 40.7195 178.9208 71 T 3.9092 8.2125 116.4829 66.7111 68.3957 176.7588 72 L 4.0966 8.1865 120.9241 57.6906 41.5797 179.5547 73 R 3.6025 8.1857 118.5517 59.2755 30.0053 178.4374 74 A 3.9238 8.1490 120.3728 54.9604 18.3890 179.2582 75 A 3.9551 8.2089 119.3903 55.5435 18.2451 179.0764 76 Y 3.8417 7.9990 116.4768 61.0611 38.9842 178.1029 77 F 3.9134 8.4533 117.5073 60.2838 39.1246 177.0390 78 T 4.3160 8.0919 106.9753 61.1069 69.1425 175.3195 79 G 3.8117 7.5891 109.7070 46.3434 0.0000 173.6561 80 I 4.1640 7.5653 112.1609 59.8377 39.3454 175.6824 81 K 4.4004 8.6046 123.8974 56.6120 33.5444 175.8976 82 V 4.2536 8.6761 124.8404 62.2480 32.5436 176.1900 83 S 4.3304 9.0400 123.6548 60.1276 63.0647 173.7025 84 K 5.1133 7.7846 117.3988 54.6456 36.9744 174.6872 85 L 4.9685 8.6456 122.0290 53.0472 45.4065 174.6721 86 C 5.0398 8.8259 123.9070 55.3787 44.9276 172.7618 87 V 4.8248 8.5526 119.3476 59.0865 36.0872 175.4340 88 W 4.8600 9.2660 124.0736 55.7552 29.2753 175.6972 89 N 5.1815 8.7011 121.9154 52.3466 37.0823 175.7232 90 N 4.6951 8.3185 118.0121 54.9569 39.8862 175.9609 91 K 4.2847 7.8608 116.9831 56.5541 32.9048 175.7779 92 T 4.5688 8.0430 114.8949 59.6835 70.1048 171.8196 93 P 4.4066 0.0000 0.0000 62.8834 31.6535 175.7420 94 N 4.8374 8.5587 117.6787 53.5501 39.8498 174.2528 95 S 5.0257 8.6179 117.4780 57.8908 65.0153 173.3353 96 I 4.4169 8.5156 124.8907 60.9207 37.0496 175.6539 97 A 4.1022 8.4667 129.3970 53.5618 19.7256 176.7908 98 A 4.5475 7.1395 114.3292 51.0231 22.8837 175.1764 99 I 4.8777 8.1022 118.3801 59.1948 41.5953 173.8494 100 E 4.7041 9.1717 129.4016 54.3277 32.2662 174.2223 101 L 5.0470 8.4113 126.4135 53.1149 43.6974 175.7815 102 S 4.6310 8.1293 116.1326 57.4284 65.9837 173.7640 103 N 4.4466 8.5117 123.7296 54.1680 38.6406 173.8363 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 1 A 8.26 4.30 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 2 P 0.00 4.36 0.00 2.13 1.98 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.15 0.00 3 Q 8.78 4.56 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.62 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 4 N 7.53 4.86 0.00 2.93 2.88 0.00 0.00 5.86 7.73 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 5 I 8.30 3.64 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.09 0.88 0.00 0.00 6 T 7.88 3.82 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 1.20 0.00 0.00 7 E 8.53 3.99 0.00 2.06 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 2.34 2.44 0.00 8 L 8.17 4.13 0.00 1.94 1.87 1.00 0.74 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 9 C 8.79 4.46 0.00 3.14 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 10 S 7.91 4.22 0.00 4.10 3.98 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 0.00 0.00 0.00 11 E 7.99 4.17 0.00 1.63 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 2.52 2.38 0.00 12 Y 7.19 4.78 0.00 2.93 2.89 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 13 H 9.04 4.91 0.00 3.17 3.42 0.00 6.08 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.66 4.20 0.00 3.04 2.91 0.00 0.00 6.73 7.05 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 15 T 7.73 4.79 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 0.39 0.00 0.00 16 Q 8.88 4.64 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 17 I 8.28 4.66 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.78 0.88 0.00 0.00 18 Y 9.11 4.41 0.00 3.03 2.61 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 0.00 0.00 0.00 0.00 19 E 8.56 4.51 0.00 1.95 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 2.20 2.29 0.00 20 L 8.72 4.44 0.00 1.57 1.21 0.39 0.69 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 21 N 7.89 4.24 0.00 2.86 2.83 0.00 0.00 6.69 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 22 K 7.77 4.88 0.00 1.87 1.82 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.60 7.81 23 E 8.63 4.57 0.00 2.09 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 2.33 2.36 0.00 24 I 8.14 3.42 2.03 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.59 0.94 0.00 0.00 25 K 8.57 4.36 0.00 1.81 1.94 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.46 7.81 26 T 7.65 4.67 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 0.00 0.00 0.00 1.10 0.00 0.00 27 Y 8.02 4.85 0.00 2.28 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 0.00 0.00 0.00 28 T 8.35 4.60 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 1.09 0.00 0.00 29 E 8.50 5.05 0.00 1.82 1.56 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 2.22 2.28 0.00 30 S 8.79 4.67 0.00 3.82 3.62 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 31 L 8.57 4.49 0.00 1.56 1.58 0.91 0.77 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 32 A 8.37 4.77 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 33 G 8.39 3.63 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 0.00 0.00 0.00 34 Y 9.40 3.82 0.00 3.16 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 35 R 7.66 4.66 0.00 1.98 2.04 0.00 2.98 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 36 E 8.44 4.82 0.00 1.89 1.91 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 2.28 2.31 0.00 37 M 8.84 4.33 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.43 0.00 38 V 8.28 4.72 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 0.89 0.00 0.00 0.94 0.00 0.00 39 I 8.67 5.15 1.73 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.60 0.84 0.00 0.00 40 I 8.96 4.99 1.74 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 1.35 1.48 1.00 0.00 0.00 41 S 8.71 5.17 0.00 3.66 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 0.00 42 F 8.90 5.15 0.00 3.27 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 43 A 8.97 4.02 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 44 N 8.30 4.62 0.00 2.92 3.02 0.00 0.00 6.28 7.00 0.00 0.00 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 G 8.44 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 46 A 8.53 4.05 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 47 T 7.68 4.92 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 1.10 0.00 0.00 48 F 9.44 5.29 0.00 2.93 2.89 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 49 Q 9.24 5.09 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 50 V 7.87 4.64 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 0.81 0.00 0.00 0.99 0.00 0.00 51 E 8.57 4.70 0.00 1.92 1.76 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 2.09 2.21 0.00 52 V 7.93 3.63 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 0.73 0.00 0.00 0.78 0.00 0.00 *64 P 0.00 4.41 0.00 2.12 2.22 0.00 3.85 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 1.95 2.15 0.00 65 L 7.89 3.76 0.00 1.91 1.79 0.99 0.94 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 66 E 8.27 4.04 0.00 2.22 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 0.00 2.38 2.39 0.00 67 R 7.94 3.85 0.00 1.92 1.99 0.00 3.20 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 68 M 8.05 4.03 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.74 0.00 69 K 7.98 4.04 0.00 2.08 1.94 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.67 7.81 70 D 8.37 4.36 0.00 2.87 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 71 T 8.21 3.91 4.42 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 0.00 0.00 0.00 1.24 0.00 0.00 72 L 8.19 4.10 0.00 1.87 1.89 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.19 3.60 0.00 1.97 2.02 0.00 2.88 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.17 0.00 74 A 8.15 3.92 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 75 A 8.21 3.96 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.00 3.84 0.00 3.06 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 77 F 8.45 3.91 0.00 2.91 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 78 T 8.09 4.32 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 1.29 0.00 0.00 79 G 7.59 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 80 I 7.57 4.16 1.88 0.00 0.00 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 1.36 0.67 0.91 0.00 0.00 81 K 8.60 4.40 0.00 1.76 1.80 0.00 1.67 0.00 0.00 1.95 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.46 7.81 82 V 8.68 4.25 2.26 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 0.91 0.00 0.00 1.12 0.00 0.00 83 S 9.04 4.33 0.00 4.16 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 84 K 7.78 5.11 0.00 1.64 1.56 0.00 1.63 0.00 0.00 1.78 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.42 7.81 85 L 8.65 4.97 0.00 1.12 1.14 -0.06 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.83 5.04 0.00 2.84 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 87 V 8.55 4.82 2.28 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 0.49 0.00 0.00 1.14 0.00 0.00 88 W 9.27 4.86 0.00 3.43 3.04 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 89 N 8.70 5.18 0.00 2.85 3.11 0.00 0.00 6.36 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 90 N 8.32 4.70 0.00 2.81 2.95 0.00 0.00 7.11 7.61 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 91 K 7.86 4.28 0.00 2.00 1.77 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.64 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.60 1.41 7.81 92 T 8.04 4.57 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 93 P 0.00 4.41 0.00 2.09 1.94 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 94 N 8.56 4.84 0.00 2.97 3.10 0.00 0.00 7.59 7.57 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 95 S 8.62 5.03 0.00 4.22 4.16 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 96 I 8.52 4.42 1.91 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 1.02 0.57 0.86 0.00 0.00 97 A 8.47 4.10 -0.40 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 0.00 0.00 0.00 98 A 7.14 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.10 4.88 1.84 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 1.23 0.96 0.91 0.00 0.00 100 E 9.17 4.70 0.00 2.01 1.72 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 2.17 2.23 0.00 101 L 8.41 5.05 0.00 1.55 1.57 0.94 0.92 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 0.00 102 S 8.13 4.63 0.00 3.87 3.67 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 0.00 0.00 0.00 0.00 103 N 8.51 4.45 0.00 2.66 2.60 0.00 0.00 6.92 7.56 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 * Residues marked with a * may have inaccurate shift predictions.