NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4401 8.1933 116.7951 58.5270 64.3580 174.5122 2 N 4.5819 8.2083 116.1863 52.9751 38.4065 174.5428 3 I 4.0808 8.3035 119.6305 61.1131 40.9958 175.9774 4 I 4.3135 7.3070 118.9609 61.3429 36.5598 175.2185 5 K 4.3733 7.4644 119.1741 57.3979 35.0444 177.4993 6 Q 4.0120 7.9318 118.8989 59.5438 28.6589 179.1854 7 L 4.1054 7.5187 120.4634 57.8529 42.3301 178.4480 8 E 4.1064 7.9605 118.4965 58.8939 29.4250 178.1661 9 Q 4.3277 8.3953 115.9838 56.6102 29.0001 177.1345 10 E 3.9460 7.7194 120.7438 58.5820 29.7765 177.0340 11 Q 4.4507 7.4833 114.6257 55.6486 29.9831 175.3960 12 M 4.1169 7.4666 119.0715 53.9023 31.4061 176.2646 13 K 4.2024 8.4688 123.6337 57.3598 33.1033 176.7616 14 Q 4.5563 8.1045 112.8474 56.0450 30.6187 175.9505 15 D 4.5663 8.0740 118.0520 54.9025 41.6503 176.8124 16 V 3.7445 7.6078 120.0149 61.7185 31.7743 173.9406 17 P 4.6284 0.0000 0.0000 61.2042 32.7930 175.3534 18 S 4.4167 8.3293 113.5031 58.2412 63.2199 174.0969 19 F 3.9412 9.3271 125.0091 59.8823 39.1569 172.2126 20 R 3.6492 8.1964 125.6607 54.5959 30.8756 173.5430 21 P 4.2288 0.0000 0.0000 65.9878 31.2763 174.9062 22 G 3.9127 8.0692 112.9756 45.4698 0.0000 172.2773 23 D 5.1268 7.6477 125.5835 53.8999 39.2474 178.8473 24 T 5.1826 8.5569 112.7011 62.9006 72.2414 175.6133 25 V 3.0097 7.2726 110.0517 60.5157 28.2126 173.4038 26 E 4.2087 8.2560 130.5834 55.8373 30.9287 175.4543 27 V 4.1606 8.0969 125.6520 60.9155 33.2422 174.8835 28 K 5.1164 7.9566 127.6941 55.6610 33.1131 177.3776 29 V 5.2365 8.0923 115.7171 58.1639 36.0895 175.0715 30 W 5.4398 8.7555 123.5751 57.2271 29.2466 175.8927 31 V 4.2607 8.3509 118.3540 62.6527 34.2333 175.5238 32 V 3.2872 8.1929 114.3135 62.2058 28.5963 172.1189 33 E 4.0078 8.8072 127.5135 58.5374 30.2954 177.4923 34 G 4.2453 7.7254 108.0935 46.0893 0.0000 173.1496 35 S 4.6502 7.9556 110.4568 57.9208 67.9796 173.7423 36 K 4.6397 7.8918 120.1908 54.8650 35.1591 176.1434 37 K 4.7828 8.5294 123.2378 55.2381 34.2259 175.4887 38 R 4.3895 7.7026 117.4732 56.6988 31.5690 172.5593 39 L 5.3476 8.5397 118.7088 53.4321 43.9030 176.1719 40 Q 4.7490 8.7228 121.7672 54.2830 32.7536 174.5859 41 A 4.5913 8.6634 126.3504 51.5628 19.7468 177.1368 42 F 4.5310 7.9276 115.0807 58.2208 40.8059 172.3327 43 E 4.2514 8.5271 119.1173 55.2209 29.3108 177.1597 44 G 4.4338 8.6233 119.2438 44.7261 0.0000 170.2709 45 V 4.8972 8.3909 120.7026 61.0451 35.8560 175.7803 46 V 4.6518 8.4071 125.3004 62.5092 32.0687 175.9641 47 I 4.3512 9.1179 121.1368 60.8090 40.6215 175.2870 48 A 4.9042 7.9972 123.5862 49.7094 22.0218 174.8952 49 I 4.6788 8.1777 121.9318 59.0602 40.9058 174.1255 50 R 4.7620 7.8542 118.8664 56.0147 29.7634 176.8405 51 N 4.3477 9.2317 118.1923 55.7287 34.9010 174.2047 52 R 4.7325 8.2030 112.3293 55.8309 32.4731 176.5367 53 G 4.1631 7.6212 114.8512 46.6058 0.0000 176.7971 54 L 3.7605 8.4087 126.1936 57.2898 41.8194 177.2161 55 H 4.5830 8.2685 114.5661 56.9073 28.9998 175.4546 56 S 4.4243 7.2066 115.8330 58.7787 64.4606 173.6016 57 A 4.7424 8.4721 118.8265 52.0238 22.2409 175.9066 58 F 5.3648 8.5539 117.3903 55.7667 41.5235 174.5694 59 T 4.7125 9.1146 115.5794 61.7348 71.3882 173.4756 60 V 5.5494 8.5371 126.5710 60.5357 33.9859 173.8404 61 R 4.6626 8.6130 129.0458 55.5055 31.2099 174.9764 62 K 4.0444 8.8871 126.8382 56.5329 32.9795 175.9301 63 I 3.2198 7.8793 121.8465 61.5373 33.1625 171.7178 64 S 4.5878 7.5520 115.2608 57.2155 64.7875 172.5354 65 N 4.3833 9.0065 127.8571 54.1062 37.0677 174.6682 66 G 3.8735 7.4912 101.9947 44.5189 0.0000 171.9479 67 E 4.6352 8.2185 120.0527 53.3639 32.6007 176.1587 68 G 3.8840 8.8064 112.0924 46.6814 0.0000 173.5036 69 V 4.4730 8.0763 119.4110 60.8459 34.2939 174.5821 70 E 4.4621 8.8807 127.5958 56.7393 30.7453 177.5469 71 R 4.0815 8.2419 122.4168 55.2846 32.6150 174.1405 72 V 3.9829 7.9778 120.7371 61.0454 32.5878 175.7691 73 F 4.4567 8.3210 125.3131 55.6976 40.9731 175.2384 74 Q 4.0676 8.6214 122.7029 56.1518 28.6780 177.0835 75 T 4.0845 8.3583 119.4617 64.7089 67.6024 174.7466 76 H 4.7917 7.9479 115.5700 55.2099 29.1906 174.7592 77 S 4.2946 7.6072 115.0271 57.6169 62.8138 172.5665 78 P 4.2125 0.0000 0.0000 65.3602 31.7462 178.3526 79 V 3.2771 7.3390 111.3358 62.3634 31.5751 177.8553 80 V 3.5902 6.9908 118.3797 62.7232 33.4910 178.4509 81 D 4.0519 8.0299 117.8416 55.2378 39.9957 175.7312 82 S 4.5909 5.8100 111.7955 57.6416 66.0045 173.7016 83 I 4.1710 7.5851 116.3472 60.6485 38.8556 174.4900 84 S 4.5548 8.6163 135.0000 58.5175 64.8572 176.9730 85 V 4.3084 8.0561 112.8463 61.7924 31.7598 172.0332 86 K 3.8943 8.6651 127.7108 59.9684 32.2916 176.4453 87 R 4.8369 8.0657 115.8944 54.5149 33.6299 173.7688 88 R 4.7477 8.4825 116.2926 54.3711 34.2761 174.9687 89 G 4.8853 9.0572 107.8476 43.6513 0.0000 173.2116 90 A 4.7367 8.3897 123.0961 50.1394 17.6317 175.8662 91 V 3.7923 8.1256 120.2164 62.9321 32.9981 175.7626 92 R 3.7213 7.7871 117.7999 54.5136 27.4695 174.1052 93 K 4.4700 7.4390 120.9942 55.6344 34.9144 173.8693 94 A 4.0627 8.7336 130.0400 54.4875 18.7094 177.1361 95 K 4.2988 7.7280 113.3414 54.6769 34.3902 177.2369 96 L 4.5434 7.7833 126.1665 54.7849 41.2947 178.0234 97 Y 4.6108 7.6155 116.9317 60.1805 38.4746 177.6672 98 Y 4.4484 7.9063 116.8182 58.6096 38.6822 176.3221 99 L 4.0802 6.9926 118.9650 56.1287 41.9739 178.4235 100 R 4.1890 7.4660 115.7948 57.5534 29.8211 177.0329 101 E 4.5866 7.8247 117.7594 54.7594 30.7813 174.6216 102 R 4.4952 7.7424 120.6032 52.8729 35.6008 177.1892 103 T 3.6457 8.4189 110.2230 63.3854 68.0542 171.4515 104 G 4.0376 8.2270 110.4603 47.4321 0.0000 174.4125 105 K 4.0292 8.9357 120.1868 56.3683 30.4642 176.2991 106 A 4.5002 8.2445 120.1032 53.6281 20.4626 177.6426 107 A 3.8216 8.2606 117.2290 55.0419 18.7855 180.3410 108 R 3.6114 6.9683 117.5097 56.8208 27.7319 177.1219 109 I 4.0908 8.4086 128.9699 61.6443 36.3951 178.2898 110 K 4.2329 8.8067 129.6692 56.6342 35.3843 176.6290 111 E 4.6539 8.4710 123.2818 55.7646 32.2586 175.2521 112 R 3.6686 8.7755 127.0067 55.2566 29.2453 174.1724 113 L 3.4968 8.8512 131.7659 54.8038 41.8378 173.1188 114 N 4.5603 8.6119 122.0374 53.3506 38.7408 175.2694 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 S 8.19 4.44 0.00 3.90 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 0.00 2 N 8.21 4.58 0.00 2.83 2.83 0.00 0.00 6.42 6.44 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 3 I 8.30 4.08 1.87 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 1.41 1.37 0.91 0.00 0.00 4 I 7.31 4.31 1.88 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 1.19 0.67 0.98 0.00 0.00 5 K 7.46 4.37 0.00 1.73 1.66 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.36 7.81 6 Q 7.93 4.01 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 7 L 7.52 4.11 0.00 1.91 1.64 0.92 0.97 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 8 E 7.96 4.11 0.00 2.15 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 0.00 2.34 2.40 0.00 9 Q 8.40 4.33 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.49 2.33 0.00 10 E 7.72 3.95 0.00 2.18 2.18 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 2.32 2.28 0.00 11 Q 7.48 4.45 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 12 M 7.47 4.12 0.00 1.92 1.97 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 2.63 2.12 0.00 13 K 8.47 4.20 0.00 1.86 1.88 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.43 7.81 14 Q 8.10 4.56 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 15 D 8.07 4.57 0.00 2.64 2.69 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 16 V 7.61 3.74 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.95 0.00 0.00 17 P 0.00 4.63 0.00 2.10 2.00 0.00 3.48 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 1.78 1.98 0.00 18 S 8.33 4.42 0.00 4.04 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 19 F 9.33 3.94 0.00 2.84 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 20 R 8.20 3.65 0.00 1.93 1.92 0.00 3.31 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 21 P 0.00 4.23 0.00 2.22 2.09 0.00 3.82 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 2.00 1.97 0.00 22 G 8.07 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 23 D 7.65 5.13 0.00 2.65 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 0.00 0.00 0.00 24 T 8.56 5.18 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 25 V 7.27 3.01 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 0.17 0.00 0.00 0.95 0.00 0.00 26 E 8.26 4.21 0.00 2.05 1.78 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 2.39 2.34 0.00 27 V 8.10 4.16 1.82 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 0.92 0.00 0.00 28 K 7.96 5.12 0.00 1.58 1.73 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.29 7.81 29 V 8.09 5.24 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 0.78 0.00 0.00 1.06 0.00 0.00 30 W 8.76 5.44 0.00 3.28 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 31 V 8.35 4.26 2.35 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 0.88 0.00 0.00 1.02 0.00 0.00 32 V 8.19 3.29 2.07 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 0.75 0.00 0.00 0.91 0.00 0.00 33 E 8.81 4.01 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 34 G 7.73 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 35 S 7.96 4.65 0.00 3.81 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 36 K 7.89 4.64 0.00 1.76 1.85 0.00 1.49 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.42 7.81 37 K 8.53 4.78 0.00 1.47 1.56 0.00 1.57 0.00 0.00 1.36 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.31 7.81 38 R 7.70 4.39 0.00 1.92 2.06 0.00 2.97 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 39 L 8.54 5.35 0.00 1.61 1.70 1.29 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.72 4.75 0.00 2.20 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 41 A 8.66 4.59 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 42 F 7.93 4.53 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 43 E 8.53 4.25 0.00 1.89 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 2.31 2.34 0.00 44 G 8.62 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 45 V 8.39 4.90 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.95 0.00 0.00 46 V 8.41 4.65 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 1.14 0.00 0.00 1.08 0.00 0.00 47 I 9.12 4.35 1.91 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 1.41 0.65 0.88 0.00 0.00 48 A 8.00 4.90 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 49 I 8.18 4.68 1.87 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 1.37 0.77 0.89 0.00 0.00 50 R 7.85 4.76 0.00 1.76 1.12 0.00 3.07 0.00 0.00 3.00 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.48 0.00 51 N 9.23 4.35 0.00 2.87 3.02 0.00 0.00 6.53 7.66 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 52 R 8.20 4.73 0.00 1.76 1.89 0.00 3.45 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 53 G 7.62 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 0.00 0.00 0.00 54 L 8.41 3.76 0.00 1.48 1.71 0.83 0.98 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 55 H 8.27 4.58 0.00 3.35 3.32 0.00 5.75 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.21 4.42 0.00 3.89 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 57 A 8.47 4.74 1.21 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 0.00 0.00 58 F 8.55 5.36 0.00 3.33 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.11 4.71 4.39 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 0.00 0.00 1.22 0.00 0.00 60 V 8.54 5.55 2.39 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 1.46 0.00 0.00 1.50 0.00 0.00 61 R 8.61 4.66 0.00 1.99 1.82 0.00 3.21 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 62 K 8.89 4.04 0.00 1.50 1.55 0.00 1.09 0.00 0.00 1.34 0.00 0.00 2.78 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.21 1.38 7.81 63 I 7.88 3.22 1.85 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 1.29 0.77 0.89 0.00 0.00 64 S 7.55 4.59 0.00 3.66 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 65 N 9.01 4.38 0.00 2.89 2.89 0.00 0.00 6.73 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 66 G 7.49 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 0.00 0.00 0.00 67 E 8.22 4.64 0.00 1.97 1.83 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 2.20 2.23 0.00 68 G 8.81 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.08 4.47 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 1.09 0.00 0.00 0.97 0.00 0.00 70 E 8.88 4.46 0.00 1.90 1.87 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 2.36 2.35 0.00 71 R 8.24 4.08 0.00 1.64 0.89 0.00 2.54 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.05 0.00 72 V 7.98 3.98 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 0.66 0.00 0.00 0.78 0.00 0.00 73 F 8.32 4.46 0.00 1.51 2.39 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 0.00 0.00 0.00 74 Q 8.62 4.07 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.29 0.00 75 T 8.36 4.08 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 1.14 0.00 0.00 76 H 7.95 4.79 0.00 3.29 3.26 0.00 5.76 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.61 4.29 0.00 3.85 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 78 P 0.00 4.21 0.00 2.09 2.24 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 79 V 7.34 3.28 2.11 0.00 0.00 0.00 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 0.92 0.00 0.00 80 V 6.99 3.59 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 0.53 0.00 0.00 0.98 0.00 0.00 81 D 8.03 4.05 0.00 2.30 2.17 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 82 S 5.81 4.59 0.00 3.73 3.71 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 83 I 7.59 4.17 1.70 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.16 0.79 0.00 0.00 84 S 8.62 4.55 0.00 3.75 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.06 4.31 1.83 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 0.53 0.00 0.00 0.86 0.00 0.00 86 K 8.67 3.89 0.00 1.72 1.92 0.00 1.54 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.69 1.49 7.81 87 R 8.07 4.84 0.00 1.72 1.79 0.00 3.20 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 88 R 8.48 4.75 0.00 1.74 1.74 0.00 3.10 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 89 G 9.06 4.89 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 0.00 0.00 0.00 90 A 8.39 4.74 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.13 3.79 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 0.95 0.00 0.00 0.99 0.00 0.00 92 R 7.79 3.72 0.00 1.95 1.91 0.00 3.40 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 93 K 7.44 4.47 0.00 1.79 1.79 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.32 1.41 7.81 94 A 8.73 4.06 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 95 K 7.73 4.30 0.00 1.65 0.93 0.00 1.77 0.00 0.00 1.18 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.29 1.41 7.81 96 L 7.78 4.54 0.00 1.77 1.41 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.62 4.61 0.00 3.13 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 98 Y 7.91 4.45 0.00 3.10 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.99 4.08 0.00 1.53 1.58 0.69 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.47 4.19 0.00 1.88 2.01 0.00 3.22 0.00 0.00 3.51 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 101 E 7.82 4.59 0.00 1.85 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 2.27 2.34 0.00 102 R 7.74 4.50 0.00 1.74 1.73 0.00 3.70 0.00 0.00 3.28 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 103 T 8.42 3.65 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 0.00 104 G 8.23 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 0.00 105 K 8.94 4.03 0.00 1.95 2.03 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.37 7.81 106 A 8.24 4.50 1.31 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 0.00 0.00 107 A 8.26 3.82 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 0.00 108 R 6.97 3.61 0.00 1.90 2.19 0.00 3.22 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 109 I 8.41 4.09 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.47 0.97 0.00 0.00 110 K 8.81 4.23 0.00 1.71 1.62 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.48 7.81 111 E 8.47 4.65 0.00 1.88 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 2.21 2.35 0.00 112 R 8.78 3.67 0.00 1.94 1.70 0.00 3.39 0.00 0.00 3.29 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 113 L 8.85 3.50 0.00 1.81 1.70 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.61 4.56 0.00 2.74 2.69 0.00 0.00 7.01 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