NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.2960 8.3144 124.0441 55.1378 33.8072 174.2599 8 Q 4.0721 7.9705 125.1035 52.8947 30.9231 172.4667 9 Q 4.7724 7.7111 124.6115 55.8729 32.3877 172.6763 10 G 4.0552 7.5210 112.4425 45.4917 0.0000 171.7677 11 E 4.7722 8.7983 117.0889 56.2551 30.7889 176.0408 12 L 4.7118 8.8054 120.3155 53.5126 46.9794 174.8018 13 Y 5.1311 9.0272 118.9379 57.7134 39.7659 174.7535 14 M 5.2351 9.6120 122.1923 53.3181 36.3011 174.4500 15 W 4.3674 8.4111 132.7685 56.1520 31.6527 175.2990 16 D 4.3708 7.6678 128.9453 52.4684 41.1041 177.0704 17 S 3.7154 8.1553 120.5588 59.5655 62.6628 175.0485 18 I 3.8960 6.6525 121.7556 63.6895 37.6053 176.3555 19 D 4.3301 7.7143 120.3390 54.7935 41.1955 176.2703 20 Q 2.5554 7.1305 120.2640 56.8868 27.1132 173.8379 21 K 4.8510 6.3376 117.6042 53.4351 37.0499 177.7441 22 W 5.4758 8.9809 119.8951 56.8167 30.4984 176.1231 23 T 4.9485 9.2257 113.4956 60.0062 72.1355 172.9586 24 R 4.8943 8.6239 122.3219 55.8445 31.6310 175.0909 25 H 5.2895 9.4162 121.3073 53.8277 33.4135 172.4420 26 F 4.8346 9.0177 124.6862 57.8614 40.7280 174.3200 27 C 5.9682 8.5854 122.4857 57.3176 32.4427 172.7585 28 A 5.0267 8.2402 121.1131 50.8295 22.8883 175.3734 29 I 5.0611 8.3861 120.6928 59.5490 39.5808 175.3353 30 A 4.7541 8.4956 129.7995 51.4574 22.8821 175.0116 31 D 4.4256 8.4950 121.4115 55.9114 40.2850 174.5360 32 A 4.9076 8.8570 130.3610 53.1523 20.2126 175.5811 33 K 5.1141 8.6179 122.6891 54.8553 35.7176 177.4855 34 L 5.2134 9.0648 127.4721 52.6625 44.1363 175.1354 35 S 5.5360 9.2744 122.0591 56.7126 65.5603 173.1462 36 F 5.5661 8.5807 116.6362 55.5100 41.2736 174.7512 37 S 4.6679 8.7181 117.2758 57.2924 65.2274 173.0876 38 D 4.7084 8.3384 120.0601 53.5472 41.9960 175.6762 39 D 4.4647 8.7887 119.4774 54.8622 41.6576 176.9747 40 I 4.0698 8.7289 119.5495 62.0155 36.5586 176.7296 41 E 4.2457 8.9255 124.4552 59.1678 29.8935 178.6779 42 Q 3.9165 7.8453 115.3493 56.4733 28.4775 180.3020 43 T 4.3736 7.4073 115.4186 62.7083 67.2259 175.5230 44 M 5.1097 7.8744 135.0000 54.5876 34.2494 173.5217 *49 P 4.0628 0.0000 0.0000 64.1500 32.8920 176.3311 50 L 3.5794 8.6040 123.2915 54.3826 37.2137 174.7400 51 G 4.2890 7.8434 111.2275 43.1130 0.0000 170.0358 52 S 4.3795 8.3640 115.1314 57.5731 63.1400 174.2819 53 L 4.3892 8.2851 127.0719 55.0772 42.2304 176.9566 54 C 4.6458 7.8286 117.8009 59.1450 32.4008 175.5201 55 R 4.1387 7.7476 119.5893 58.7335 29.9081 179.7708 56 G 3.7826 6.9212 101.5212 46.3769 0.0000 172.8379 57 I 5.3026 8.3298 121.0212 59.4881 41.1987 174.5117 58 L 4.9174 9.1846 126.7980 53.0455 44.6899 175.3241 59 D 5.0523 8.9039 123.4286 52.9754 41.3681 176.6851 60 L 4.2211 9.1004 128.3244 57.7770 41.9947 179.7437 61 N 4.3326 8.4211 115.8586 56.1746 38.5071 175.9451 62 T 4.1539 8.0387 106.4319 62.3309 69.5120 173.6864 63 Y 4.8695 7.7793 119.4014 56.4454 41.0627 174.3730 64 N 5.2318 9.2829 116.3951 51.8130 43.4631 174.2151 65 V 4.7922 8.4093 113.9640 59.8088 33.6974 175.3620 66 V 4.3922 8.6288 125.6284 60.9231 34.3645 174.2720 67 K 4.8391 8.6499 126.3142 54.9046 34.5974 175.9450 68 A 4.6058 8.2914 128.7554 49.6859 19.1413 175.6364 69 P 4.3201 0.0000 0.0000 66.7331 31.4478 178.6073 70 Q 4.0088 7.9481 112.8873 56.9481 29.0352 176.9956 71 G 3.7287 9.4308 106.8954 45.4354 0.0000 172.2881 72 K 4.2301 8.3542 116.0927 56.7955 35.6703 175.9146 73 N 3.8531 9.6336 123.6786 55.1936 35.9248 175.4624 74 Q 3.6708 8.1184 110.5511 55.2646 26.4646 174.9701 75 K 4.3644 7.9093 118.4984 55.3993 34.0447 177.8036 76 S 3.6715 8.2599 119.8695 60.4658 63.1151 173.9674 77 F 5.0249 7.5319 118.8192 55.8004 41.4547 174.8085 78 V 5.1091 8.4185 116.3476 59.4327 36.3630 174.6118 79 F 5.1870 8.5772 116.9997 55.1901 41.7275 173.7855 80 I 4.8462 8.9248 120.2581 59.7073 40.9711 174.9436 81 L 5.1203 8.9209 127.8717 53.5920 42.0086 174.5443 82 E 4.5582 8.8576 122.7307 55.2105 31.3984 173.6919 83 P 4.1399 0.0000 0.0000 63.8334 31.2800 174.9849 *89 P 4.2485 0.0000 0.0000 61.9939 33.2853 174.6917 90 P 4.6641 0.0000 0.0000 62.4189 32.2016 175.9646 91 V 4.0151 8.1672 122.1947 61.3086 33.5075 174.2127 92 E 4.6197 8.2793 127.0226 54.7238 31.9623 175.0272 93 F 5.2932 8.1470 123.2362 55.9866 42.1654 174.7800 94 A 5.0286 8.5481 121.2238 51.0768 22.7494 175.2743 95 T 5.0133 8.5427 109.5004 60.1624 71.9836 174.4074 96 D 4.6330 9.1491 121.0501 57.1240 40.9730 177.7204 97 K 4.5601 7.8798 118.4403 54.6724 35.1181 178.0188 98 V 2.5541 7.4599 122.5332 64.4072 31.2227 178.4036 99 E 3.8751 7.9080 117.7962 59.1968 29.4043 178.8371 100 E 3.9964 8.1479 118.9702 59.2973 29.6090 178.6241 101 L 4.1360 7.6564 119.5418 58.5228 41.9179 179.0316 102 F 4.0169 8.0537 120.3340 61.5081 39.3560 176.9376 103 E 3.9802 8.4297 118.1082 58.9212 29.0685 179.3486 104 W 4.1324 8.0355 118.2758 58.8579 29.7812 178.1335 105 F 3.7729 8.2578 120.8797 61.5686 38.6040 177.1702 106 Q 3.8195 8.0565 117.2990 58.9948 28.3139 178.5629 107 S 4.0368 7.3660 115.0609 62.0046 63.3129 176.8820 108 I 3.8647 7.8829 122.2572 64.3834 36.8117 178.5332 109 R 4.1552 8.1783 121.7077 59.5677 29.6458 178.6101 110 E 4.4617 8.2546 114.5930 58.8063 29.3655 180.7974 111 I 4.7535 7.4535 119.3241 62.6995 40.5548 176.5709 112 T 4.2458 7.8876 111.6680 63.0863 69.6240 175.4541 *113 W 3.9348 7.9782 126.4965 56.5010 30.1923 175.5878 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 K 8.31 4.30 0.00 1.56 1.67 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 8 Q 7.97 4.07 0.00 1.90 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.00 0.00 0.00 0.00 0.00 0.00 1.29 1.16 0.00 9 Q 7.71 4.77 0.00 2.02 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.70 0.00 0.00 0.00 0.00 0.00 2.00 2.23 0.00 10 G 7.52 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 11 E 8.80 4.77 0.00 2.03 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 0.00 2.25 2.23 0.00 12 L 8.81 4.71 0.00 1.42 1.42 -0.55 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 9.03 5.13 0.00 2.88 2.86 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 14 M 9.61 5.24 0.00 1.54 1.60 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 1.92 0.00 15 W 8.41 4.37 0.00 2.09 2.55 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 0.00 0.00 0.00 0.00 16 D 7.67 4.37 0.00 2.63 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 0.00 0.00 0.00 0.00 17 S 8.16 3.72 0.00 3.88 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 18 I 6.65 3.90 1.90 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.37 0.80 0.00 0.00 19 D 7.71 4.33 0.00 2.48 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.13 2.56 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 21 K 6.34 4.85 0.00 1.38 1.59 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.33 1.03 7.81 22 W 8.98 5.48 0.00 3.21 3.26 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 23 T 9.23 4.95 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 1.31 0.00 0.00 24 R 8.62 4.89 0.00 1.82 1.87 0.00 3.15 0.00 0.00 3.43 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.66 0.00 25 H 9.42 5.29 0.00 3.18 3.51 0.00 5.62 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 26 F 9.02 4.83 0.00 3.27 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 27 C 8.59 5.97 0.00 2.76 2.82 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 28 A 8.24 5.03 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 29 I 8.39 5.06 1.79 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.90 0.91 0.00 0.00 30 A 8.50 4.75 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 31 D 8.49 4.43 0.00 2.84 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 0.00 0.00 0.00 32 A 8.86 4.91 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 33 K 8.62 5.11 0.00 1.39 1.64 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 1.21 7.81 34 L 9.06 5.21 0.00 1.77 1.64 0.68 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 35 S 9.27 5.54 0.00 3.95 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 36 F 8.58 5.57 0.00 3.30 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 37 S 8.72 4.67 0.00 4.22 4.23 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 38 D 8.34 4.71 0.00 2.64 2.67 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 39 D 8.79 4.46 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.73 4.07 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.73 1.12 0.00 0.00 41 E 8.93 4.25 0.00 2.33 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 2.33 2.28 0.00 42 Q 7.85 3.92 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.18 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 43 T 7.41 4.37 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 44 M 7.87 5.11 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.85 0.00 *49 P 0.00 4.06 0.00 2.06 2.05 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 50 L 8.60 3.58 0.00 1.82 1.57 0.92 0.68 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 51 G 7.84 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 0.00 0.00 0.00 0.00 52 S 8.36 4.38 0.00 3.84 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 53 L 8.29 4.39 0.00 1.61 1.63 0.76 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 54 C 7.83 4.65 0.00 3.00 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 55 R 7.75 4.14 0.00 1.66 1.83 0.00 3.36 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 56 G 6.92 3.78 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 0.00 0.00 0.00 57 I 8.33 5.30 1.91 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 1.38 0.67 0.99 0.00 0.00 58 L 9.18 4.92 0.00 1.79 1.68 0.89 1.28 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 59 D 8.90 5.05 0.00 2.81 2.67 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 60 L 9.10 4.22 0.00 1.89 1.81 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.42 4.33 0.00 2.98 2.93 0.00 0.00 6.99 6.95 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 62 T 8.04 4.15 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 1.24 0.00 0.00 63 Y 7.78 4.87 0.00 2.90 2.93 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 64 N 9.28 5.23 0.00 2.80 2.69 0.00 0.00 7.27 7.24 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 65 V 8.41 4.79 1.68 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 0.67 0.00 0.00 0.87 0.00 0.00 66 V 8.63 4.39 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 0.99 0.00 0.00 0.98 0.00 0.00 67 K 8.65 4.84 0.00 2.19 1.92 0.00 2.12 0.00 0.00 2.48 0.00 0.00 3.14 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.68 7.81 68 A 8.29 4.61 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 69 P 0.00 4.32 0.00 2.08 2.19 0.00 3.72 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 70 Q 7.95 4.01 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.57 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 71 G 9.43 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 72 K 8.35 4.23 0.00 1.73 1.55 0.00 1.60 0.00 0.00 1.22 0.00 0.00 3.03 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.09 1.25 7.81 73 N 9.63 3.85 0.00 2.26 2.07 0.00 0.00 6.91 7.69 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 74 Q 8.12 3.67 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.69 0.00 0.00 0.00 0.00 0.00 2.16 1.93 0.00 75 K 7.91 4.36 0.00 1.34 1.09 0.00 1.01 0.00 0.00 1.22 0.00 0.00 2.52 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.30 0.21 7.81 76 S 8.26 3.67 0.00 2.87 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 77 F 7.53 5.02 0.00 2.98 2.95 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 78 V 8.42 5.11 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 0.71 0.00 0.00 0.95 0.00 0.00 79 F 8.58 5.19 0.00 2.91 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 80 I 8.92 4.85 1.88 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 1.17 0.68 0.93 0.00 0.00 81 L 8.92 5.12 0.00 1.59 1.14 1.22 0.80 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 82 E 8.86 4.56 0.00 2.12 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 0.00 2.27 2.33 0.00 83 P 0.00 4.14 0.00 1.96 1.52 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 2.07 2.46 0.00 *89 P 0.00 4.25 0.00 2.07 2.02 0.00 3.73 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 1.94 2.12 0.00 90 P 0.00 4.66 0.00 2.02 1.99 0.00 3.66 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 91 V 8.17 4.02 1.70 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 0.21 0.00 0.00 0.74 0.00 0.00 92 E 8.28 4.62 0.00 1.85 1.79 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 2.19 2.20 0.00 93 F 8.15 5.29 0.00 1.51 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 0.00 0.00 0.00 94 A 8.55 5.03 0.45 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 95 T 8.54 5.01 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 96 D 9.15 4.63 0.00 2.82 2.90 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 97 K 7.88 4.56 0.00 1.91 1.74 0.00 1.69 0.00 0.00 2.00 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 98 V 7.46 2.55 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 0.00 0.00 0.75 0.00 0.00 0.76 0.00 0.00 99 E 7.91 3.88 0.00 2.11 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 0.00 2.30 2.30 0.00 100 E 8.15 4.00 0.00 2.31 2.29 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 2.51 2.43 0.00 101 L 7.66 4.14 0.00 1.94 1.99 1.25 1.15 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 0.00 102 F 8.05 4.02 0.00 3.12 3.18 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 0.00 103 E 8.43 3.98 0.00 2.24 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 2.30 2.42 0.00 104 W 8.04 4.13 0.00 3.20 2.50 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 0.00 0.00 0.00 0.00 105 F 8.26 3.77 0.00 3.09 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 0.00 106 Q 8.06 3.82 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.51 0.00 0.00 0.00 0.00 0.00 1.44 2.04 0.00 107 S 7.37 4.04 0.00 3.59 3.78 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 0.00 108 I 7.88 3.86 1.76 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.15 0.92 0.00 0.00 109 R 8.18 4.16 0.00 2.28 2.02 0.00 3.27 0.00 0.00 3.79 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 110 E 8.25 4.46 0.00 2.08 1.81 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 2.26 2.22 0.00 111 I 7.45 4.75 2.04 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 1.07 0.94 0.00 0.00 112 T 7.89 4.25 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 1.36 0.00 0.00 *113 W 7.98 3.93 0.00 2.48 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.