NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 D 4.5799 8.3649 121.4663 53.3563 42.7189 175.3482 26 Y 4.6674 7.7439 116.4495 54.4864 39.0993 173.9881 27 S 5.0936 9.1297 117.0673 57.1588 67.6939 172.4012 28 L 5.1225 8.6254 121.7431 53.8497 45.4424 175.2709 29 T 4.6507 8.7806 123.0714 62.5958 70.7268 172.8425 30 M 4.7933 8.3966 123.6422 54.4720 35.0038 174.4207 31 Q 4.2718 8.8892 122.1580 56.6304 29.5315 176.5050 32 S 4.6725 8.6519 114.9866 60.8698 64.2276 174.1039 33 S 5.3787 7.9197 111.7736 56.9172 66.3217 173.8787 34 V 4.6104 8.9466 119.2859 60.5107 34.9844 173.8859 35 T 5.2093 8.5610 119.0621 61.7612 71.1644 173.6985 36 V 4.5042 8.7555 125.7767 59.6113 34.7897 175.2870 37 Q 4.5162 8.6141 122.2824 55.4834 30.0247 175.5033 38 E 4.1509 8.6360 122.2948 58.5707 29.9731 178.2377 39 G 3.9176 9.1245 111.6976 45.4844 0.0000 173.1932 40 M 4.4923 7.6762 119.3916 54.3716 34.6338 174.5271 41 C 5.3634 8.3950 117.1198 58.0891 30.9281 174.1809 42 V 4.4479 8.6603 121.4695 60.2345 34.4326 173.8607 43 H 5.2225 8.8146 120.4281 53.9666 31.2995 173.6907 44 V 4.3926 8.6815 123.4003 60.5339 33.8776 174.8775 45 R 4.3988 8.6125 125.4184 56.7255 30.1326 176.6706 46 C 5.2657 8.7366 121.9428 55.6279 45.0806 172.6558 47 S 5.3978 8.9797 119.5154 56.8831 66.6890 172.4057 48 F 5.4737 8.4446 115.0887 55.6501 40.8481 173.1494 49 S 4.7434 9.4247 113.6773 57.2740 66.7907 172.0946 50 Y 4.4426 7.3810 116.3266 55.1320 40.0664 172.3764 51 P 4.3685 0.0000 0.0000 62.5288 32.4585 176.4079 52 V 3.7382 8.1384 116.6599 62.0076 32.2479 176.9782 *57 D 4.7628 8.5109 121.6115 53.2153 41.8796 176.3800 58 S 4.3662 8.0541 110.9880 60.5469 63.4761 174.4175 59 D 4.4429 7.9586 121.7392 53.5441 41.0116 174.3931 60 P 4.4232 0.0000 0.0000 62.6245 31.9487 175.8732 61 V 4.2034 8.9547 123.4453 62.4396 32.2676 174.7438 62 H 5.0092 9.4348 126.5313 54.3477 30.5373 174.4847 63 G 4.2720 9.3004 110.6629 44.5692 0.0000 171.7672 64 Y 4.9821 7.8603 119.1060 55.7320 42.5521 174.1567 65 W 5.1208 9.0591 123.6551 55.1268 31.7561 175.2427 66 F 4.9818 8.7494 122.0732 55.1780 42.6542 174.3185 67 R 4.1141 8.6058 122.1985 56.2586 30.3693 176.1325 68 A 4.4905 9.0480 128.8922 51.0202 19.8994 177.5448 69 G 3.8147 7.7935 105.4941 45.6280 0.0000 171.9357 70 N 4.5096 8.2491 115.7643 54.6378 37.8802 175.1107 71 D 4.6381 7.4198 117.4520 51.9541 41.3788 173.0663 72 I 3.4682 7.6216 122.1390 60.9991 37.9449 177.1644 73 S 4.4529 8.1102 121.9395 56.9913 61.3543 174.6862 74 W 4.0495 8.4561 127.3501 59.4102 29.1987 178.0797 75 K 4.4712 8.2036 117.1482 54.5838 32.0883 181.0766 76 A 4.8511 7.9210 120.2091 50.6907 18.9942 174.6622 77 P 3.7506 0.0000 0.0000 62.1656 32.5693 178.7761 78 V 3.6741 8.3567 113.6382 64.0370 32.5966 175.8305 79 A 4.9031 7.5801 119.8359 51.4861 22.3090 175.0089 80 T 4.9287 8.4677 112.8589 62.4257 70.1511 172.9099 81 N 4.6167 8.4595 121.4428 52.3777 37.8507 174.4580 82 N 4.1567 7.9277 120.0461 53.2554 38.7715 173.2619 83 P 4.2670 0.0000 0.0000 63.0097 32.2253 176.9094 84 A 4.1139 7.3968 122.4817 52.5181 19.6904 178.3681 85 W 3.8335 9.0387 124.0295 59.8508 29.1040 178.8274 86 A 4.1729 8.1713 119.0778 54.7392 18.1430 179.4484 87 V 3.8075 7.7099 116.3794 66.2180 31.9733 178.1244 88 Q 3.9644 8.3408 118.3999 58.8335 28.2545 178.7111 89 E 4.0631 8.0755 117.6813 58.7795 29.6863 177.5278 90 E 4.3141 7.7341 117.4863 56.5892 29.9909 176.4101 91 T 4.7810 7.3383 109.2759 60.3982 70.1546 173.9904 92 R 4.4465 8.2002 121.1846 54.8206 31.0426 177.8092 93 D 4.4703 8.7388 122.4471 56.3597 41.2133 177.1113 94 R 4.3943 8.0877 117.1268 56.0458 30.7932 175.1136 95 F 5.0702 8.1705 117.4690 55.9972 41.0958 175.0714 96 H 4.8018 8.8497 119.1068 54.1222 32.9973 172.8006 97 L 4.5576 8.7415 125.5396 54.4214 40.4174 175.8681 98 L 4.1565 8.4288 125.0496 57.1320 42.4622 178.0507 99 G 3.7492 8.1033 105.4370 46.1097 0.0000 173.3211 100 D 4.8073 8.6521 123.1702 52.2289 41.5014 175.4281 101 P 4.8956 0.0000 0.0000 65.3301 31.6849 178.5841 102 Q 4.1370 8.4296 119.1712 58.4132 29.0271 176.6571 103 T 4.4292 7.7855 106.6404 60.9890 69.0894 174.3936 104 K 2.6972 7.9002 119.3176 57.7003 29.8235 174.3929 105 N 5.3464 8.2972 116.9459 52.1395 40.4341 172.6659 106 C 4.9224 8.8558 119.3825 55.2089 43.2408 174.0569 107 T 4.1819 8.1432 116.8379 64.9733 69.1950 172.5855 108 L 5.1962 8.6097 127.8872 53.1124 45.0776 175.1435 109 S 5.0705 8.8376 119.1419 56.5181 66.8729 172.7398 110 I 4.4206 8.3459 121.7924 59.5601 40.1160 174.8124 111 R 4.4910 8.6202 126.4200 54.8292 31.8166 176.2815 112 D 4.2647 8.4031 119.5102 54.9354 38.4705 174.2541 113 A 4.2137 7.9481 122.6737 52.6511 19.7093 177.4417 114 R 5.1302 8.8843 120.0845 54.1417 33.5495 177.0214 115 M 4.0833 8.5682 119.6016 58.6556 32.1715 179.4885 116 S 4.2467 8.0806 112.1241 61.1870 63.2998 175.2880 117 D 4.7017 8.1596 119.9725 56.4647 40.7784 176.8130 118 A 4.3179 7.7747 122.7264 51.8747 19.1557 178.0695 119 G 3.8569 7.5964 108.4049 44.4762 0.0000 171.6767 120 R 5.2626 7.9468 118.3171 54.7924 32.8616 175.2649 121 Y 5.5088 9.2581 119.7418 56.3011 42.2790 174.4925 122 F 5.6735 9.2400 116.5492 55.3036 42.1011 173.1455 123 F 4.4592 8.7292 121.7593 56.4457 41.4831 174.2221 124 R 5.2059 8.0091 125.4769 54.5950 33.4286 173.8381 125 M 5.1929 8.9475 122.1156 53.5521 35.0343 174.2643 126 E 5.0806 9.3955 119.5047 54.7163 34.0370 174.5918 127 K 4.7427 9.3930 125.7158 54.0063 35.0863 177.2038 128 G 3.9220 8.9154 119.9382 47.0223 0.0000 174.3572 129 N 4.5401 9.0054 122.3828 53.0384 37.9527 174.6449 130 I 4.2602 8.0115 122.3197 60.5152 37.5103 174.7029 131 K 5.1604 8.4607 124.2986 54.4103 35.9104 175.9691 132 W 4.5492 9.0818 133.9206 56.1813 34.4661 172.8040 133 N 4.9638 7.8496 124.9565 52.0162 39.1383 176.0976 134 Y 4.6502 8.9819 125.1631 56.9376 36.4571 176.3826 135 K 3.9795 7.5473 118.5941 58.2731 33.6002 178.1918 136 Y 4.8035 7.7816 115.9172 58.4655 39.0008 175.1645 137 D 5.1249 7.9204 118.8891 52.9181 41.2077 174.9797 138 Q 4.8790 7.9739 118.7141 55.3286 31.2171 176.3235 139 L 4.9585 9.2780 123.4953 53.7180 44.4936 175.1624 140 S 5.1339 9.1413 123.1789 57.4300 64.7721 173.1237 141 V 4.7359 9.2574 125.7700 61.3117 33.4831 174.0030 142 N 5.3601 9.2452 125.5656 51.4001 41.5077 173.6555 143 V 4.9581 8.4731 122.7531 61.2179 34.1559 175.2361 144 T 4.2932 8.7417 117.4457 61.7927 68.9105 174.1977 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 25 D 8.36 4.58 0.00 2.48 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 26 Y 7.74 4.67 0.00 1.91 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 27 S 9.13 5.09 0.00 4.01 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 28 L 8.63 5.12 0.00 1.41 1.66 0.68 1.01 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 29 T 8.78 4.65 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 30 M 8.40 4.79 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.55 0.00 31 Q 8.89 4.27 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 32 S 8.65 4.67 0.00 3.86 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 33 S 7.92 5.38 0.00 3.96 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 34 V 8.95 4.61 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 0.83 0.00 0.00 0.89 0.00 0.00 35 T 8.56 5.21 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 1.26 0.00 0.00 36 V 8.76 4.50 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 0.71 0.00 0.00 0.90 0.00 0.00 37 Q 8.61 4.52 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.01 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 38 E 8.64 4.15 0.00 1.93 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 2.36 2.42 0.00 39 G 9.12 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 0.00 0.00 0.00 40 M 7.68 4.49 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 41 C 8.40 5.36 0.00 2.74 2.73 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 42 V 8.66 4.45 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 0.59 0.00 0.00 0.85 0.00 0.00 43 H 8.81 5.22 0.00 2.91 3.18 0.00 5.83 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.68 4.39 1.89 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 0.95 0.00 0.00 0.81 0.00 0.00 45 R 8.61 4.40 0.00 1.85 1.93 0.00 3.11 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 46 C 8.74 5.27 0.00 3.04 3.10 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 0.00 0.00 0.00 47 S 8.98 5.40 0.00 3.93 3.85 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 48 F 8.44 5.47 0.00 2.76 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.42 4.74 0.00 3.66 3.87 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 Y 7.38 4.44 0.00 2.67 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 51 P 0.00 4.37 0.00 1.99 1.88 0.00 2.71 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.63 0.00 52 V 8.14 3.74 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 0.59 0.00 0.00 0.89 0.00 0.00 *57 D 8.51 4.76 0.00 2.72 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 58 S 8.05 4.37 0.00 3.99 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 59 D 7.96 4.44 0.00 2.70 2.66 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 0.00 0.00 0.00 0.00 60 P 0.00 4.42 0.00 1.87 1.95 0.00 3.64 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 61 V 8.95 4.20 2.21 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 0.99 0.00 0.00 1.00 0.00 0.00 62 H 9.43 5.01 0.00 3.14 2.89 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 9.30 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 0.00 0.00 0.00 0.00 64 Y 7.86 4.98 0.00 2.74 2.21 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 65 W 9.06 5.12 0.00 3.28 3.12 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 66 F 8.75 4.98 0.00 1.51 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 0.00 0.00 0.00 67 R 8.61 4.11 0.00 1.66 1.73 0.00 2.66 0.00 0.00 2.74 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 68 A 9.05 4.49 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 69 G 7.79 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 70 N 8.25 4.51 0.00 2.82 2.93 0.00 0.00 5.58 8.06 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 71 D 7.42 4.64 0.00 2.54 2.51 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 72 I 7.62 3.47 0.99 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.58 -0.73 0.00 0.00 73 S 8.11 4.45 0.00 3.86 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 74 W 8.46 4.05 0.00 3.22 3.10 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 0.00 0.00 0.00 75 K 8.20 4.47 0.00 1.77 1.69 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.31 0.99 7.81 76 A 7.92 4.85 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 77 P 0.00 3.75 0.00 2.06 1.06 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 78 V 8.36 3.67 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 0.55 0.00 0.00 0.91 0.00 0.00 79 A 7.58 4.90 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 80 T 8.47 4.93 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 1.26 0.00 0.00 81 N 8.46 4.62 0.00 2.86 2.90 0.00 0.00 6.01 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 82 N 7.93 4.16 0.00 2.51 2.73 0.00 0.00 6.92 7.22 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 83 P 0.00 4.27 0.00 2.20 2.11 0.00 3.78 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 1.99 1.97 0.00 84 A 7.40 4.11 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 85 W 9.04 3.83 0.00 3.44 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 86 A 8.17 4.17 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 87 V 7.71 3.81 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 1.18 0.00 0.00 1.01 0.00 0.00 88 Q 8.34 3.96 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.57 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 89 E 8.08 4.06 0.00 2.24 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 2.63 2.47 0.00 90 E 7.73 4.31 0.00 2.17 2.03 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 2.53 2.57 0.00 91 T 7.34 4.78 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 92 R 8.20 4.45 0.00 1.59 1.87 0.00 3.16 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.24 0.00 93 D 8.74 4.47 0.00 2.68 2.73 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 94 R 8.09 4.39 0.00 1.96 2.01 0.00 3.37 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 95 F 8.17 5.07 0.00 2.99 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 96 H 8.85 4.80 0.00 2.98 3.09 0.00 5.61 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 97 L 8.74 4.56 0.00 1.86 1.71 1.30 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.43 4.16 0.00 1.66 1.65 0.60 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.10 3.75 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 0.00 0.00 0.00 100 D 8.65 4.81 0.00 2.79 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 0.00 101 P 0.00 4.90 0.00 2.61 2.52 0.00 3.75 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 102 Q 8.43 4.14 0.00 2.13 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.32 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 103 T 7.79 4.43 4.21 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 1.21 0.00 0.00 104 K 7.90 2.70 0.00 1.73 1.56 0.00 1.34 0.00 0.00 1.29 0.00 0.00 2.13 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.94 1.14 7.81 105 N 8.30 5.35 0.00 2.64 2.96 0.00 0.00 6.99 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 0.00 106 C 8.86 4.92 0.00 1.78 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 0.00 0.00 0.00 0.00 107 T 8.14 4.18 4.28 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 1.18 0.00 0.00 108 L 8.61 5.20 0.00 0.94 0.91 0.55 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.84 5.07 0.00 3.90 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.35 4.42 1.45 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.15 0.24 0.00 0.00 111 R 8.62 4.49 0.00 1.60 1.79 0.00 3.30 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 112 D 8.40 4.26 0.00 2.71 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 0.00 113 A 7.95 4.21 1.19 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 0.00 0.00 0.00 0.00 0.00 114 R 8.88 5.13 0.00 1.88 1.82 0.00 3.18 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 115 M 8.57 4.08 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.88 0.00 116 S 8.08 4.25 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 0.00 117 D 8.16 4.70 0.00 2.93 2.98 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 0.00 118 A 7.77 4.32 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 0.00 119 G 7.60 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 0.00 120 R 7.95 5.26 0.00 1.75 1.90 0.00 3.13 0.00 0.00 3.39 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 121 Y 9.26 5.51 0.00 3.09 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 0.00 122 F 9.24 5.67 0.00 3.21 3.24 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 0.00 123 F 8.73 4.46 0.00 1.51 2.51 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 0.00 124 R 8.01 5.21 0.00 2.25 1.89 0.00 3.44 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 125 M 8.95 5.19 0.00 1.92 2.15 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.95 0.00 126 E 9.40 5.08 0.00 2.05 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 2.43 0.00 127 K 9.39 4.74 0.00 1.63 1.52 0.00 1.76 0.00 0.00 1.53 0.00 0.00 2.98 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.31 1.35 7.81 128 G 8.92 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 0.00 0.00 0.00 129 N 9.01 4.54 0.00 2.86 2.96 0.00 0.00 5.89 7.81 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 0.00 130 I 8.01 4.26 2.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.16 1.11 0.00 0.00 131 K 8.46 5.16 0.00 1.53 1.60 0.00 1.69 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.55 7.81 132 W 9.08 4.55 0.00 3.05 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 0.00 133 N 7.85 4.96 0.00 2.23 2.58 0.00 0.00 7.15 7.46 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 0.00 134 Y 8.98 4.65 0.00 3.45 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 0.00 135 K 7.55 3.98 0.00 1.39 1.42 0.00 1.09 0.00 0.00 1.16 0.00 0.00 2.31 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.60 0.23 7.81 136 Y 7.78 4.80 0.00 3.21 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 0.00 137 D 7.92 5.12 0.00 2.84 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 0.00 138 Q 7.97 4.88 0.00 2.11 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.71 0.00 0.00 0.00 0.00 0.00 2.63 2.62 0.00 139 L 9.28 4.96 0.00 1.91 1.71 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 140 S 9.14 5.13 0.00 3.87 3.84 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 0.00 141 V 9.26 4.74 2.34 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 0.97 0.00 0.00 0.93 0.00 0.00 142 N 9.25 5.36 0.00 2.82 2.69 0.00 0.00 6.00 7.28 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 0.00 143 V 8.47 4.96 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 0.88 0.00 0.00 0.95 0.00 0.00 144 T 8.74 4.29 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 * Residues marked with a * may have inaccurate shift predictions.