NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.2815 8.2893 120.3271 55.7790 32.8440 175.6211 4 D 4.1262 8.3754 127.0997 52.3699 38.2829 173.3393 5 T 4.2951 7.7255 110.7464 62.8530 70.9769 177.3386 6 A 3.9375 7.7866 124.4808 55.5966 18.4312 179.1056 7 Q 3.9082 8.0311 117.1659 59.1020 29.1701 178.1071 8 L 3.9693 7.8964 120.7583 58.2368 42.2214 178.5468 9 K 3.8689 8.1676 119.4800 59.8304 31.9985 178.1811 10 S 4.0305 7.9616 112.7205 61.6245 62.2597 176.0249 11 Q 3.9179 7.9662 120.5669 58.9885 28.5079 179.2778 12 I 3.9008 7.9053 120.6063 64.5899 37.1477 178.0716 13 Q 3.9594 8.0315 118.7584 59.4889 28.5557 179.6608 14 Q 3.8927 7.8670 118.4777 59.3376 28.7051 178.8261 15 Y 4.2749 7.4068 117.2491 60.9950 37.7497 178.3907 16 L 4.0300 8.0836 120.1130 57.7898 41.5783 179.7592 17 V 3.6468 8.0725 118.5222 65.8673 31.1608 177.9326 18 E 4.2693 7.8725 117.4184 59.4509 29.4480 178.7834 19 S 4.3195 7.6235 110.7862 58.7428 62.5725 174.0475 20 G 3.2326 7.1633 107.3732 46.0236 0.0000 175.1504 21 N 4.4586 7.6339 120.5628 53.1562 35.5464 174.7395 22 Y 4.2072 7.1635 121.3890 60.4089 38.7013 177.1311 23 E 4.1939 8.1360 118.8608 58.4461 29.7611 178.4525 24 L 3.9425 7.5841 120.7048 57.7953 41.9705 179.1535 25 I 3.6734 7.2930 119.1861 64.3873 37.1495 178.4852 26 S 4.1441 7.9244 114.6345 61.6063 63.1529 176.0286 27 N 4.4034 8.3927 120.1820 55.7507 38.3430 177.0568 28 E 3.9790 8.0889 120.5750 58.7134 29.7162 178.4415 29 L 3.8472 7.9095 120.5646 58.0379 42.1667 178.6844 30 K 3.8397 8.0381 119.2729 59.7369 32.0630 178.5072 31 A 4.0481 7.9248 120.4278 55.2238 18.3858 179.8819 32 R 3.9224 7.9644 116.3935 59.3053 30.0095 179.2800 33 L 4.1473 7.9653 118.8869 57.4036 41.4174 179.5171 34 L 4.0788 7.8578 118.7924 57.5931 41.5199 178.8901 35 Q 4.0166 7.9904 118.9919 59.0326 29.0327 177.4586 36 E 4.0959 8.0392 114.0087 57.3697 30.2027 177.5974 37 G 3.9839 8.0841 108.1777 45.3677 0.0000 174.8278 38 W 4.1862 8.7846 131.5921 60.3595 30.5729 178.1635 39 V 3.1989 8.0476 117.5401 66.1209 30.8760 177.3666 40 D 4.2959 8.0124 117.0699 57.0464 40.9685 178.2452 41 K 3.8769 7.5552 119.4300 59.3628 32.0556 179.4815 42 V 3.2772 7.1581 118.5042 65.5317 30.7574 177.9006 43 K 3.8164 7.7358 119.4699 59.6112 32.0144 178.5250 44 D 4.3367 7.8021 119.0351 57.0608 40.9774 178.4509 45 L 3.9308 8.1434 121.1614 58.2751 41.9467 179.3307 46 T 3.8062 7.8341 115.7888 66.5399 68.4556 176.6510 47 K 3.9239 7.6339 119.6047 59.6203 32.1469 179.4290 48 S 4.1218 8.1467 115.2492 61.7740 62.8964 176.7259 49 E 3.9744 8.0568 120.8042 59.7246 29.2090 179.3677 50 M 4.1087 8.0947 118.7255 58.4586 31.7485 178.5946 51 N 4.4432 8.0744 115.8903 56.0500 38.7232 177.3357 52 I 3.8153 7.3254 120.3657 64.3329 37.4516 177.5850 53 N 4.5144 8.2096 116.1711 53.6739 38.6509 176.8127 54 E 3.9567 7.9476 116.3533 56.5964 28.2334 173.9704 55 S 4.5498 7.5502 115.3574 57.5042 63.9910 175.1526 56 T 4.0848 8.4898 119.6986 64.1460 68.1069 174.0616 57 N 4.3676 7.9909 121.9887 54.1450 39.6698 175.4403 58 F 4.2191 8.9807 126.6892 61.4328 39.7064 177.8441 59 T 3.6424 7.9738 114.8231 66.8674 68.1684 176.6561 60 Q 3.9883 8.7049 120.2365 59.0421 28.7081 179.0497 61 I 3.8721 7.2376 120.6439 63.9017 37.1584 178.0180 62 L 3.8431 7.6542 121.1208 57.4148 41.5529 178.7605 63 S 4.0701 7.6314 112.9768 60.8134 62.4442 175.1610 64 T 4.3201 7.2781 111.8890 63.2411 69.5565 177.1049 65 V 3.5197 7.6295 121.0465 65.4293 31.4654 177.7934 66 E 3.9135 8.0725 119.1291 58.8193 29.3691 176.7909 67 P 4.2627 0.0000 0.0000 65.7627 31.8083 178.4333 68 K 4.1509 7.7385 116.4326 59.2873 31.7784 179.2780 69 A 4.1826 8.2481 121.3138 55.3458 18.1215 179.7464 70 L 4.0459 7.9339 116.3865 57.6628 41.7310 179.0337 71 E 4.2428 7.9045 117.0141 58.5665 29.6776 178.0816 72 M 4.4116 7.7828 117.2527 55.3480 32.5375 176.8121 73 V 3.5534 7.4849 119.8417 62.3481 32.3459 176.1830 74 S 4.2537 8.9131 122.7859 58.9709 64.5669 175.4832 75 D 4.4125 8.7229 124.0485 57.2349 40.5142 179.3245 76 S 4.2676 7.9535 114.7348 61.8093 63.3394 176.4634 77 T 3.7827 7.5303 118.6667 66.1570 68.0794 176.6586 78 R 3.8238 7.8944 120.5706 59.2938 30.1364 178.4998 79 E 3.9328 8.1901 118.6626 59.6219 29.3977 179.4335 80 T 3.8576 8.0864 110.1312 64.8709 68.8730 176.7650 81 V 3.5737 7.7153 121.0128 65.4504 31.5341 177.8257 82 L 4.0081 8.1575 120.2663 57.6958 41.8079 178.8478 83 K 3.9699 8.2078 120.0040 59.3779 32.0904 178.8944 84 Q 4.0058 7.8155 118.5214 58.8351 28.5446 178.8075 85 I 3.7679 7.7198 120.6962 64.3279 37.3353 178.3243 86 R 3.8695 8.0863 119.5133 59.6578 29.7103 178.1905 87 E 3.9866 8.2822 117.2074 59.5102 29.7679 179.0213 88 F 4.5676 8.3058 120.5195 61.4088 39.5428 177.1962 89 L 3.7545 8.3484 119.0082 57.8327 41.1320 179.3906 90 E 3.9966 7.8404 117.0513 58.9457 29.3982 178.6013 91 E 4.1478 7.8509 117.5515 58.2532 29.6811 178.3995 92 I 3.9137 7.2215 118.8148 61.9273 37.8947 176.1223 93 V 4.3793 6.8104 110.8175 58.8502 33.9988 175.3141 94 D 4.4550 8.4169 120.9783 54.7363 41.1659 177.1268 95 T 3.9641 8.2894 119.2133 63.9813 68.9216 174.5195 96 Q 4.1448 8.4156 123.4320 56.7132 28.1359 174.0291 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 3 M 8.29 4.28 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 4 D 8.38 4.13 0.00 2.92 2.81 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 5 T 7.73 4.30 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 1.28 0.00 0.00 6 A 7.79 3.94 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 7 Q 8.03 3.91 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 8 L 7.90 3.97 0.00 1.81 1.81 0.96 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.17 3.87 0.00 1.99 1.96 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.46 7.81 10 S 7.96 4.03 0.00 3.94 3.99 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 11 Q 7.97 3.92 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 12 I 7.91 3.90 2.05 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 1.84 0.91 0.96 0.00 0.00 13 Q 8.03 3.96 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 14 Q 7.87 3.89 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.55 0.00 15 Y 7.41 4.27 0.00 3.10 2.94 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 16 L 8.08 4.03 0.00 1.93 1.68 1.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.07 3.65 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 0.00 0.00 0.84 0.00 0.00 18 E 7.87 4.27 0.00 2.28 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 2.55 2.65 0.00 19 S 7.62 4.32 0.00 3.96 4.01 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 20 G 7.16 3.23 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 0.00 21 N 7.63 4.46 0.00 2.68 2.66 0.00 0.00 7.12 8.29 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 22 Y 7.16 4.21 0.00 3.04 2.85 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 23 E 8.14 4.19 0.00 2.04 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 0.00 2.41 2.45 0.00 24 L 7.58 3.94 0.00 1.74 1.66 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.29 3.67 1.84 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 1.58 0.80 0.89 0.00 0.00 26 S 7.92 4.14 0.00 4.05 4.12 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 27 N 8.39 4.40 0.00 2.75 2.90 0.00 0.00 6.66 7.18 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 28 E 8.09 3.98 0.00 2.21 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 2.43 2.33 0.00 29 L 7.91 3.85 0.00 1.75 1.80 0.75 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.04 3.84 0.00 2.03 2.00 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.53 7.81 31 A 7.92 4.05 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.96 3.92 0.00 1.92 1.97 0.00 3.26 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 33 L 7.97 4.15 0.00 1.99 2.02 0.59 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.86 4.08 0.00 1.85 1.74 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.99 4.02 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 36 E 8.04 4.10 0.00 2.20 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 0.00 2.57 2.38 0.00 37 G 8.08 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 0.00 0.00 0.00 38 W 8.78 4.19 0.00 3.58 3.39 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 39 V 8.05 3.20 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 0.96 0.00 0.00 1.21 0.00 0.00 40 D 8.01 4.30 0.00 2.81 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 41 K 7.56 3.88 0.00 1.76 1.71 0.00 1.76 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.61 7.81 42 V 7.16 3.28 1.60 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 0.73 0.00 0.00 -0.41 0.00 0.00 43 K 7.74 3.82 0.00 1.96 1.84 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.44 7.81 44 D 7.80 4.34 0.00 2.74 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 45 L 8.14 3.93 0.00 1.66 1.70 0.89 0.91 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 46 T 7.83 3.81 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 1.20 0.00 0.00 47 K 7.63 3.92 0.00 1.97 1.85 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.47 7.81 48 S 8.15 4.12 0.00 4.00 3.90 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 49 E 8.06 3.97 0.00 2.15 1.96 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 2.51 2.45 0.00 50 M 8.09 4.11 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 51 N 8.07 4.44 0.00 2.85 2.87 0.00 0.00 7.07 6.86 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 52 I 7.33 3.82 2.03 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 1.51 0.63 0.90 0.00 0.00 53 N 8.21 4.51 0.00 2.83 2.84 0.00 0.00 7.17 7.07 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 54 E 7.95 3.96 0.00 2.14 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 0.00 2.23 2.37 0.00 55 S 7.55 4.55 0.00 3.96 3.99 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 56 T 8.49 4.08 4.26 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 1.24 0.00 0.00 57 N 7.99 4.37 0.00 2.77 2.72 0.00 0.00 6.82 7.72 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 58 F 8.98 4.22 0.00 3.17 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 59 T 7.97 3.64 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 1.21 0.00 0.00 60 Q 8.70 3.99 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 61 I 7.24 3.87 1.85 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 1.62 1.07 0.84 0.00 0.00 62 L 7.65 3.84 0.00 0.98 1.40 0.78 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 63 S 7.63 4.07 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.28 4.32 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 1.23 0.00 0.00 65 V 7.63 3.52 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 0.99 0.00 0.00 0.92 0.00 0.00 66 E 8.07 3.91 0.00 2.20 1.93 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 2.34 2.39 0.00 67 P 0.00 4.26 0.00 2.06 2.11 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 68 K 7.74 4.15 0.00 2.06 1.87 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.62 7.81 69 A 8.25 4.18 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 0.00 0.00 0.00 0.00 0.00 70 L 7.93 4.05 0.00 1.84 1.77 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 71 E 7.90 4.24 0.00 2.01 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 2.55 2.51 0.00 72 M 7.78 4.41 0.00 2.08 2.40 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.68 0.00 73 V 7.48 3.55 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 0.51 0.00 0.00 0.33 0.00 0.00 74 S 8.91 4.25 0.00 4.11 4.08 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 75 D 8.72 4.41 0.00 2.74 2.91 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 76 S 7.95 4.27 0.00 4.03 4.11 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 77 T 7.53 3.78 4.32 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 0.00 0.00 0.00 1.08 0.00 0.00 78 R 7.89 3.82 0.00 1.83 1.87 0.00 3.06 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 79 E 8.19 3.93 0.00 2.08 1.96 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 2.31 2.34 0.00 80 T 8.09 3.86 4.22 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 1.25 0.00 0.00 81 V 7.72 3.57 2.14 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 0.93 0.00 0.00 0.93 0.00 0.00 82 L 8.16 4.01 0.00 1.91 1.64 0.90 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.21 3.97 0.00 1.96 1.93 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.46 7.81 84 Q 7.82 4.01 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 85 I 7.72 3.77 2.01 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 1.44 0.85 0.95 0.00 0.00 86 R 8.09 3.87 0.00 1.97 2.06 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.67 0.00 87 E 8.28 3.99 0.00 2.15 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 2.52 2.43 0.00 88 F 8.31 4.57 0.00 3.15 3.23 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 89 L 8.35 3.75 0.00 1.93 1.64 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 90 E 7.84 4.00 0.00 2.10 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 2.32 2.58 0.00 91 E 7.85 4.15 0.00 1.95 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 2.53 2.58 0.00 92 I 7.22 3.91 1.75 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.01 0.77 0.00 0.00 93 V 6.81 4.38 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 0.62 0.00 0.00 0.91 0.00 0.00 94 D 8.42 4.46 0.00 2.64 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 95 T 8.29 3.96 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 1.20 0.00 0.00 96 Q 8.42 4.14 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.65 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00