NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2689 8.2644 123.5760 51.4843 19.9718 176.0344 2 Q 3.8827 8.2739 120.4291 54.7998 29.5619 170.5838 3 V 3.6388 8.9937 124.7901 63.0828 32.9340 174.8811 4 I 4.4405 8.4194 128.2695 59.8547 38.3688 175.4480 5 N 5.1600 8.6960 123.4426 51.1684 37.9244 173.9329 6 T 4.7499 7.7635 108.5580 60.5214 72.5948 174.0435 7 F 4.2628 8.4933 121.2739 61.3241 39.0009 177.8752 8 D 4.5720 8.3465 117.7694 57.1842 40.7242 178.8753 9 G 3.6427 7.7532 105.3266 47.9960 0.0000 175.9696 10 V 3.6867 8.1729 121.5705 65.2006 31.5565 177.7419 11 A 4.0544 8.5636 121.0009 55.5852 18.3133 179.3700 12 D 4.3068 8.7915 117.4997 57.6216 40.8936 178.4682 13 Y 3.9731 8.2822 120.0322 60.6264 38.8180 178.1415 14 L 4.1762 8.4661 121.6211 57.3164 41.5133 179.5204 15 Q 3.7864 7.7758 116.6431 59.2023 28.7497 178.8211 16 T 3.5081 7.3006 115.0744 66.0966 68.5418 175.7035 17 Y 4.3355 6.9416 114.3567 56.5685 39.4347 175.1150 18 H 2.8847 7.4186 116.5795 55.2670 27.1706 174.0228 19 K 4.5902 7.1211 114.6150 56.0936 35.0517 174.8201 20 L 4.3659 8.3472 119.8331 53.4855 42.0768 175.4738 21 P 3.2914 0.0000 0.0000 62.4223 31.6433 177.2338 22 D 4.5776 8.3415 118.6201 56.0579 40.8057 176.4812 23 N 4.7620 7.7891 116.3951 52.8061 38.3617 173.7372 24 Y 5.2336 7.8378 117.1107 56.6511 41.0759 174.6362 25 I 5.0124 8.8889 116.5055 59.0396 41.3239 175.3436 26 T 4.4448 8.6560 114.6471 61.2148 69.6364 175.3784 27 K 4.0135 9.3588 122.4423 60.0083 31.9101 179.9331 28 S 4.1954 8.0941 114.6486 61.5886 63.0178 176.2072 29 E 3.9641 8.0985 120.5765 59.4475 29.1742 179.2147 30 A 4.0137 8.1853 120.6399 55.4984 18.3838 179.6303 31 Q 4.2632 8.6748 116.4784 59.2961 28.6201 179.0986 32 A 4.0856 8.2671 120.5010 54.3374 18.4824 178.6212 33 L 4.4342 7.4664 115.2285 54.6264 42.0540 177.3208 34 G 4.1813 7.9821 108.2325 44.9695 0.0000 173.7130 35 W 4.5759 8.3904 130.1255 56.9474 31.2997 176.2261 36 V 3.8050 8.5989 124.8751 60.2635 31.8462 175.5946 37 A 3.2344 7.2689 129.6054 54.9046 18.3149 179.8564 38 S 4.2948 7.8991 108.4749 61.4163 63.0310 176.0558 39 K 4.0695 8.1447 119.8311 57.1244 32.0799 176.9244 40 G 3.3782 7.7687 106.4006 46.8338 0.0000 173.6101 41 N 4.9700 8.0013 112.5596 52.3117 38.2784 176.1603 42 L 3.8950 8.5484 122.5993 59.1154 41.5521 178.8627 43 A 4.0608 8.0761 119.6810 54.7419 18.1074 179.2755 44 D 4.3275 8.0081 116.6538 57.8329 41.1695 178.8190 45 V 4.0067 7.6768 110.5843 62.4512 33.2891 176.6808 46 A 4.6289 8.2671 121.7466 48.6284 18.8295 172.5194 47 P 4.4844 0.0000 0.0000 62.9695 31.8683 177.7457 48 G 3.8132 8.7431 108.7303 45.9822 0.0000 172.9938 49 K 4.7186 7.7254 118.0944 54.7443 34.4048 175.9623 50 S 4.6852 8.5541 117.6018 56.4390 67.3613 173.5648 51 I 4.2305 7.9295 123.1962 61.4945 37.8666 175.3729 52 G 4.1883 8.9191 111.6015 47.0386 0.0000 173.4027 53 G 4.3786 9.3905 110.7252 44.9352 0.0000 174.3836 54 D 4.7083 8.1157 119.2286 53.7263 42.3350 175.9039 55 I 4.1112 8.4162 121.4505 62.2210 37.9138 175.3274 56 F 4.7841 9.0137 129.0637 56.6601 40.2958 175.3831 57 S 4.0651 8.3229 121.7475 58.3560 63.6994 173.7558 58 N 3.4169 5.8766 118.6580 54.4593 36.7147 175.0266 59 R 3.7598 7.0621 116.8610 58.8065 30.7960 178.1511 60 E 4.1893 8.0965 115.6158 55.6952 29.9926 176.8093 61 G 3.9521 7.8871 106.9125 46.4129 0.0000 175.4712 62 K 4.0548 7.3350 118.4507 58.2278 32.4018 178.0981 63 L 3.6138 7.0651 117.9577 52.4456 42.2445 174.8044 64 P 4.3574 0.0000 0.0000 62.8342 31.8285 176.1754 65 G 4.2467 8.4713 111.5199 44.1489 0.0000 172.6432 66 K 4.5627 8.0684 120.3643 54.2498 35.3284 175.5958 67 S 4.2651 8.5869 121.2738 60.5594 63.1109 174.4085 68 G 3.9304 9.0090 113.3049 45.1094 0.0000 173.2885 69 R 4.0170 7.7961 120.7244 55.3940 30.8628 175.3649 70 T 4.7091 8.0843 115.0839 59.7051 72.1867 173.0528 71 W 5.1243 8.6039 121.2662 55.1634 33.3257 174.4824 72 R 5.2859 8.7877 119.8617 54.5968 34.4387 173.9890 73 E 5.3748 8.9036 117.0834 55.1482 33.6177 174.2599 74 A 4.9802 8.7565 120.7403 50.7491 23.0469 175.5921 75 D 5.0158 8.9751 120.9278 54.4670 40.7346 176.1454 76 I 4.4885 8.2016 121.6427 60.2101 41.3731 175.7035 77 N 4.2621 8.5866 120.4069 54.2123 36.4740 173.6549 78 Y 4.4694 7.2710 120.1824 57.0498 39.9326 174.8157 79 T 3.9898 7.3124 121.1460 64.3126 70.8011 173.9535 80 S 4.2487 6.3572 110.8470 58.3747 66.2651 174.7798 81 G 3.7191 8.4845 106.6808 45.1134 0.0000 173.0866 82 F 4.5309 8.4852 119.6253 56.9485 39.8257 175.6702 83 R 4.2465 8.7819 123.2028 56.6135 30.6175 176.5953 84 N 4.9816 8.5330 118.4111 52.0732 39.9656 175.2264 85 S 4.7310 8.5217 114.1739 58.7245 64.4472 172.6830 86 D 5.3481 8.3892 121.2227 53.7304 42.5136 175.8736 87 R 4.9890 9.1274 120.8463 54.6395 35.5233 173.6023 88 I 5.1457 9.2719 121.2981 59.3516 41.1152 174.0615 89 L 5.4610 9.7038 129.8726 53.0872 44.5811 175.0782 90 Y 5.7442 8.7813 121.4135 55.5804 41.7191 175.0519 91 S 4.1376 8.4942 117.9691 56.4519 64.9001 175.3586 92 S 3.4774 7.9430 115.4276 60.4831 62.5872 174.8270 93 D 4.5238 7.2260 118.6576 52.4648 39.4258 175.9007 94 W 3.7531 6.6993 116.6777 58.5029 27.2469 174.7325 95 L 4.4172 8.0408 118.3066 54.8322 42.0693 176.3316 96 I 5.4910 8.3460 121.7941 60.1398 41.2267 173.9389 97 Y 5.2427 9.9017 123.8588 56.0451 42.5379 174.1534 98 K 5.3113 9.1586 119.1023 56.0582 37.0304 174.9298 99 T 4.9095 8.8151 114.1504 60.7010 70.8162 173.8780 100 T 5.0432 8.7403 115.7116 60.2551 69.6859 173.3461 101 D 4.7164 7.1809 121.2451 53.9659 40.3950 174.4983 102 H 3.8729 8.5169 114.3418 58.8940 28.2699 173.9598 103 Y 3.0903 7.5326 112.0214 58.6643 36.8074 171.7318 104 Q 4.1567 7.9319 119.9984 58.5805 28.8882 176.8972 105 T 4.7166 8.0518 105.4643 59.6183 71.8090 172.9340 106 F 5.2445 8.5717 120.0546 56.1687 42.9802 174.2368 107 T 4.7132 9.0961 119.2462 61.3550 71.5625 173.3016 108 K 3.3053 8.7016 128.2640 56.1614 32.2118 176.2052 109 I 4.2150 8.6196 123.0179 61.6007 39.2811 176.6941 *110 R 4.1247 7.7690 125.9560 56.5620 29.9946 180.6126 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 4.27 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 2 Q 8.27 3.88 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 3 V 8.99 3.64 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 0.72 0.00 0.00 0.87 0.00 0.00 4 I 8.42 4.44 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.74 0.94 0.00 0.00 5 N 8.70 5.16 0.00 2.76 2.80 0.00 0.00 6.34 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 6 T 7.76 4.75 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 1.20 0.00 0.00 7 F 8.49 4.26 0.00 3.14 3.13 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 0.00 0.00 0.00 8 D 8.35 4.57 0.00 2.76 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 9 G 7.75 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 0.00 0.00 0.00 10 V 8.17 3.69 2.20 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 0.83 0.00 0.00 1.14 0.00 0.00 11 A 8.56 4.05 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 12 D 8.79 4.31 0.00 2.72 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 13 Y 8.28 3.97 0.00 3.28 3.13 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 0.00 0.00 0.00 14 L 8.47 4.18 0.00 1.87 1.78 0.65 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.78 3.79 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.96 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 16 T 7.30 3.51 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 -0.02 0.00 0.00 17 Y 6.94 4.34 0.00 2.62 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 18 H 7.42 2.88 0.00 3.00 2.94 0.00 5.71 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 19 K 7.12 4.59 0.00 2.01 1.97 0.00 1.62 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.64 1.72 7.81 20 L 8.35 4.37 0.00 1.68 1.59 0.84 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.29 0.00 2.11 1.28 0.00 3.66 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 2.00 1.23 0.00 22 D 8.34 4.58 0.00 2.60 2.68 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 0.00 0.00 0.00 0.00 23 N 7.79 4.76 0.00 2.71 2.84 0.00 0.00 6.78 7.45 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 24 Y 7.84 5.23 0.00 2.91 2.87 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 25 I 8.89 5.01 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 1.28 0.82 0.89 0.00 0.00 26 T 8.66 4.44 4.50 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 1.37 0.00 0.00 27 K 9.36 4.01 0.00 1.95 2.20 0.00 1.79 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.69 1.83 7.81 28 S 8.09 4.20 0.00 3.92 3.96 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 E 8.10 3.96 0.00 2.21 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 2.36 2.38 0.00 30 A 8.19 4.01 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 31 Q 8.67 4.26 0.00 2.33 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.50 2.95 0.00 32 A 8.27 4.09 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 33 L 7.47 4.43 0.00 1.84 1.75 0.92 0.79 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 34 G 7.98 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 0.00 0.00 0.00 0.00 35 W 8.39 4.58 0.00 3.18 3.17 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 36 V 8.60 3.80 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 0.83 0.00 0.00 0.87 0.00 0.00 37 A 7.27 3.23 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.90 4.29 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 39 K 8.14 4.07 0.00 1.91 1.90 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.39 7.81 40 G 7.77 3.38 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 0.00 41 N 8.00 4.97 0.00 3.07 3.03 0.00 0.00 5.72 6.67 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 42 L 8.55 3.89 0.00 1.31 1.72 0.37 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.08 4.06 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 44 D 8.01 4.33 0.00 2.79 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 45 V 7.68 4.01 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 0.80 0.00 0.00 1.15 0.00 0.00 46 A 8.27 4.63 1.15 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 0.00 0.00 47 P 0.00 4.48 0.00 2.15 2.07 0.00 3.47 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 48 G 8.74 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 49 K 7.73 4.72 0.00 1.61 1.60 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.48 7.81 50 S 8.55 4.69 0.00 3.09 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 51 I 7.93 4.23 1.85 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.20 0.86 0.00 0.00 52 G 8.92 4.19 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 0.00 53 G 9.39 4.38 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 0.00 54 D 8.12 4.71 0.00 2.71 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 55 I 8.42 4.11 1.89 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 1.23 0.48 0.90 0.00 0.00 56 F 9.01 4.78 0.00 2.83 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 57 S 8.32 4.07 0.00 3.62 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 58 N 5.88 3.42 0.00 2.54 2.50 0.00 0.00 7.18 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 59 R 7.06 3.76 0.00 1.66 1.84 0.00 3.06 0.00 0.00 3.09 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.29 0.00 60 E 8.10 4.19 0.00 2.03 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 2.34 2.29 0.00 61 G 7.89 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 62 K 7.33 4.05 0.00 1.77 1.93 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.60 7.81 63 L 7.07 3.61 0.00 0.50 0.13 -0.68 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.36 0.00 2.32 2.16 0.00 3.35 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.24 0.00 65 G 8.47 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 0.00 0.00 0.00 0.00 66 K 8.07 4.56 0.00 1.73 1.53 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.45 7.81 67 S 8.59 4.27 0.00 3.87 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 68 G 9.01 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 69 R 7.80 4.02 0.00 1.53 1.84 0.00 3.18 0.00 0.00 2.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.03 0.00 70 T 8.08 4.71 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 1.15 0.00 0.00 71 W 8.60 5.12 0.00 3.54 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 72 R 8.79 5.29 0.00 0.67 1.41 0.00 3.14 0.00 0.00 3.51 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.38 0.00 73 E 8.90 5.37 0.00 2.02 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 2.41 2.39 0.00 74 A 8.76 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.98 5.02 0.00 2.73 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 76 I 8.20 4.49 1.31 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 1.12 0.72 -0.19 0.00 0.00 77 N 8.59 4.26 0.00 3.01 2.91 0.00 0.00 6.86 6.78 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 78 Y 7.27 4.47 0.00 3.22 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.31 3.99 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 1.03 0.00 0.00 80 S 6.36 4.25 0.00 3.82 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 81 G 8.48 3.72 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 0.00 0.00 0.00 82 F 8.49 4.53 0.00 3.18 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 83 R 8.78 4.25 0.00 1.96 1.95 0.00 3.40 0.00 0.00 3.56 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.74 0.00 84 N 8.53 4.98 0.00 2.86 2.97 0.00 0.00 5.97 7.64 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 85 S 8.52 4.73 0.00 3.97 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 86 D 8.39 5.35 0.00 2.85 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 87 R 9.13 4.99 0.00 1.61 1.78 0.00 3.47 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.19 0.00 88 I 9.27 5.15 2.07 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.95 1.05 0.00 0.00 89 L 9.70 5.46 0.00 1.50 1.30 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 8.78 5.74 0.00 3.19 3.20 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 0.00 91 S 8.49 4.14 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 92 S 7.94 3.48 0.00 3.69 3.74 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 93 D 7.23 4.52 0.00 2.70 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 94 W 6.70 3.75 0.00 3.53 3.42 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 0.00 95 L 8.04 4.42 0.00 1.75 1.99 1.10 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.35 5.49 1.99 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 1.63 0.98 1.17 0.00 0.00 97 Y 9.90 5.24 0.00 2.79 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 98 K 9.16 5.31 0.00 1.45 1.69 0.00 0.61 0.00 0.00 0.92 0.00 0.00 2.54 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.26 1.02 7.81 99 T 8.82 4.91 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 0.93 0.00 0.00 100 T 8.74 5.04 4.33 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 1.30 0.00 0.00 101 D 7.18 4.72 0.00 2.82 2.79 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 0.00 102 H 8.52 3.87 0.00 3.19 3.37 0.00 5.90 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.53 3.09 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 0.00 104 Q 7.93 4.16 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 105 T 8.05 4.72 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 1.19 0.00 0.00 106 F 8.57 5.24 0.00 2.92 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 0.00 107 T 9.10 4.71 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 1.15 0.00 0.00 108 K 8.70 3.31 0.00 0.98 1.48 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.17 0.85 7.81 109 I 8.62 4.21 1.84 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.87 0.83 0.00 0.00 *110 R 7.77 4.12 0.00 1.67 1.83 0.00 3.24 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.76 0.00 * Residues marked with a * may have inaccurate shift predictions.