NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3211 8.3044 120.3448 54.7708 34.2275 174.8150 2 V 4.2625 7.5694 118.4354 60.8229 33.1621 173.9504 3 K 4.3228 9.3578 128.6152 55.5726 33.4964 175.5005 4 Q 4.4324 8.7145 127.9249 55.7062 29.5379 174.8686 5 I 4.4008 8.3780 128.3208 59.6512 38.5873 175.8499 6 E 4.7298 8.3734 125.3454 54.9063 31.2544 175.7390 7 S 4.5831 7.5358 111.6183 56.3819 66.3247 175.9086 8 K 3.9832 8.3277 123.7143 59.9407 31.9529 178.9353 9 T 3.8663 8.0381 115.3594 66.9080 68.4182 176.1831 10 A 4.0173 8.2851 122.5582 54.8449 18.3751 179.4205 11 F 4.0154 8.3418 119.2480 61.6573 39.4960 177.4198 12 Q 3.8712 8.4868 117.9368 58.8420 28.5116 178.2892 13 E 3.8571 8.5519 120.5171 59.2520 29.6347 178.7872 14 A 3.8986 7.9879 120.6490 55.1932 18.2216 179.5880 15 L 3.7059 7.3002 116.2609 57.6740 41.7731 179.1132 16 D 4.3486 8.0130 117.8087 57.3979 41.1061 178.2576 17 A 3.9909 8.2778 119.7863 54.4874 18.6339 179.0053 18 A 4.0090 7.9125 119.1847 52.7201 18.5023 178.7054 19 G 3.7168 8.4697 105.7383 47.1598 0.0000 176.5125 20 D 4.5277 8.7638 123.7294 54.4448 39.9056 177.0387 21 K 4.1327 7.6768 119.9241 55.7330 32.7404 176.4550 22 L 4.2481 8.4435 124.1833 55.7136 43.3613 175.6167 23 V 4.6577 8.9391 125.7024 61.0376 34.4036 174.0493 24 V 4.3582 8.5513 128.3106 60.9864 33.8700 174.1409 25 V 4.6624 8.7077 128.5536 61.1805 33.8689 173.7297 26 D 4.2152 8.7516 129.0605 52.7460 42.3605 174.9369 27 F 5.0394 8.5686 126.9966 56.4685 40.4854 175.5429 28 S 4.9807 8.8035 117.4047 56.3963 67.2285 172.4156 29 A 4.7969 7.6259 119.6984 50.1128 21.9283 177.5145 30 T 3.8189 8.4492 109.6042 63.8086 69.1533 175.5004 31 W 4.4266 7.3862 117.0472 56.9303 28.4874 176.8968 32 C 4.6003 7.4837 120.7140 55.1009 38.6013 173.8163 33 G 3.6401 8.6012 115.5899 47.6993 0.0000 172.6465 34 P 4.3540 0.0000 0.0000 65.0403 30.9516 179.3672 35 C 4.2352 8.0890 115.0459 60.1157 39.9432 176.2052 36 K 3.9335 7.3741 117.8651 59.5918 31.7312 178.9485 37 M 4.2067 7.8330 117.4966 57.7022 32.4756 177.0676 38 I 4.3743 7.7022 116.7299 60.7071 38.5893 176.8427 39 K 3.9796 7.7844 120.4539 60.1998 31.9487 176.5678 40 P 4.3202 0.0000 0.0000 65.5760 31.2065 178.3549 41 F 4.2980 8.3279 120.3953 60.6276 39.4811 176.7661 42 F 4.0056 8.6546 120.4349 61.6227 38.9327 176.6547 43 H 3.8920 8.5850 118.1586 58.8893 29.6665 177.3114 44 S 4.0001 8.1161 116.5223 61.4698 62.6725 176.5503 45 L 3.8999 7.5022 123.1986 57.2173 41.0570 179.6659 46 S 2.8721 6.5148 112.4756 60.4350 62.7916 175.8132 47 E 4.0625 7.0516 121.2116 58.2670 29.4977 178.4168 48 K 3.9447 7.7487 119.1080 58.5491 33.8771 177.9362 49 Y 4.5419 7.9072 119.9687 56.4657 35.2212 176.4336 50 S 4.2632 8.0416 116.4610 60.4937 64.0101 175.7742 51 N 4.7706 8.2096 116.8459 53.0650 38.5609 174.3273 52 V 4.4681 7.7080 118.5376 61.1392 34.1429 174.8283 53 I 4.4899 8.3697 127.4163 59.9726 39.3032 174.5842 54 F 5.2080 8.8453 124.5457 55.6449 41.9113 174.1192 55 L 5.3358 9.3673 123.6690 52.8409 45.4060 174.9484 56 E 4.8687 9.1369 123.0398 54.3672 32.5442 174.6874 57 V 4.5220 8.2857 126.6540 60.9527 34.6136 173.9454 58 D 4.9868 8.5797 128.3444 53.3927 41.8416 177.3817 59 V 3.7495 8.6294 121.0679 64.3330 31.7866 178.1383 60 D 4.6179 8.4121 118.8990 56.4798 41.1077 177.5694 61 D 4.5058 8.3187 118.3888 56.6102 41.7293 176.4357 62 C 4.9111 7.8146 115.3373 57.9682 28.3665 174.7311 63 Q 4.1871 8.1312 123.3515 58.2209 28.7887 178.1394 64 D 4.2921 7.9899 119.9495 56.3814 39.4473 178.6838 65 V 3.3506 7.6485 119.0545 65.4477 31.6076 177.4757 66 A 3.6825 8.0165 120.5548 55.2742 18.2050 179.7997 67 S 3.9580 8.2060 113.6465 61.9788 62.7691 176.9844 68 E 4.0525 8.1969 119.8299 59.0199 29.2631 178.2505 69 C 4.3777 7.9995 114.4087 58.7586 29.0450 173.0075 70 E 3.6523 7.9072 119.2801 57.1382 27.0610 175.4020 71 V 3.5165 7.4238 118.1828 62.5874 32.2738 175.0722 72 K 4.3879 8.5297 125.5137 57.8093 34.4632 176.7787 73 S 4.5675 7.7712 113.7244 57.4466 63.9864 173.1663 74 M 4.4605 8.3442 122.9707 52.7819 33.6528 174.2418 75 P 4.5922 0.0000 0.0000 62.7050 33.5979 175.0243 76 T 4.7728 8.0881 116.3128 61.7074 72.1176 173.0907 77 F 4.9638 8.6016 124.7344 55.8840 41.1044 174.8292 78 Q 5.2184 8.7088 122.6356 54.0367 32.4770 174.6341 79 F 5.2678 8.7757 119.9220 55.8063 42.5463 174.2730 80 F 5.4389 9.5711 121.4353 55.7362 43.4061 174.1109 81 K 4.7522 8.9277 120.3780 55.2106 36.1745 176.8940 82 K 3.7615 9.8519 124.2615 57.5847 29.6368 176.1492 83 G 3.9165 8.2965 104.2806 45.5826 0.0000 173.3234 84 Q 4.5436 8.0129 121.9008 54.0875 30.3046 174.4794 85 K 3.9065 8.6720 126.4813 56.4857 32.5223 176.5308 86 V 4.3773 8.2930 118.5738 60.7880 33.2473 175.4754 87 G 4.1219 7.6464 105.9715 46.0622 0.0000 172.1116 88 E 5.7453 8.8805 119.0665 55.5446 32.5418 174.1196 89 F 5.2032 8.8392 119.9778 56.2169 41.8978 172.6942 90 S 5.1590 9.2250 113.7328 57.0123 65.7147 174.3662 91 G 4.0594 9.2130 106.1710 45.8113 0.0000 174.0652 92 A 4.6596 8.1770 122.7585 51.0082 17.9301 179.0223 93 N 4.7392 7.8872 120.9308 51.4054 40.1475 174.4075 94 K 3.9319 8.2836 128.1933 59.4623 32.2242 178.7738 95 E 3.9495 8.0418 119.0129 59.1737 29.5264 178.6017 96 K 3.7719 8.4689 119.7932 59.0290 32.1473 178.4086 97 L 4.3195 8.1496 120.8318 58.4964 42.0927 178.6985 98 E 3.9870 8.5280 118.8578 59.2726 29.6408 178.5857 99 A 4.0239 8.2853 120.9640 55.3847 18.4598 179.8008 100 T 3.6435 8.0982 114.4489 66.6108 68.4767 176.8082 101 I 3.6106 7.6363 121.7260 64.7180 36.9489 178.3326 102 N 4.3579 7.8987 115.4552 56.0241 38.3453 176.8461 103 E 4.0285 7.9656 120.3792 58.4513 29.7998 177.8614 104 L 4.4487 7.4728 117.0400 55.0162 42.6634 176.8649 105 V 3.7768 7.6612 122.8993 61.8812 31.2298 175.8211 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 M 8.30 4.32 0.00 1.69 2.03 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 2 V 7.57 4.26 2.19 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 1.08 0.00 0.00 0.84 0.00 0.00 3 K 9.36 4.32 0.00 1.84 1.75 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.41 7.81 4 Q 8.71 4.43 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 5 I 8.38 4.40 2.02 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 1.43 1.11 1.04 0.00 0.00 6 E 8.37 4.73 0.00 1.90 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 2.20 2.21 0.00 7 S 7.54 4.58 0.00 3.99 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 8 K 8.33 3.98 0.00 1.98 1.86 0.00 1.74 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.60 7.81 9 T 8.04 3.87 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 1.22 0.00 0.00 10 A 8.29 4.02 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 11 F 8.34 4.02 0.00 3.15 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 12 Q 8.49 3.87 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.55 0.00 0.00 0.00 0.00 0.00 2.44 2.64 0.00 13 E 8.55 3.86 0.00 2.07 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 2.28 2.46 0.00 14 A 7.99 3.90 1.24 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 0.00 0.00 15 L 7.30 3.71 0.00 1.49 1.49 0.14 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.01 4.35 0.00 2.67 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 17 A 8.28 3.99 1.34 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 0.00 0.00 18 A 7.91 4.01 1.35 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 0.00 0.00 0.00 19 G 8.47 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 20 D 8.76 4.53 0.00 2.80 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 21 K 7.68 4.13 0.00 1.88 1.76 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.37 7.81 22 L 8.44 4.25 0.00 1.77 1.50 1.07 0.81 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 23 V 8.94 4.66 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 0.83 0.00 0.00 0.91 0.00 0.00 24 V 8.55 4.36 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 0.86 0.00 0.00 0.64 0.00 0.00 25 V 8.71 4.66 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 0.11 0.00 0.00 1.05 0.00 0.00 26 D 8.75 4.22 0.00 1.58 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 0.00 0.00 0.00 27 F 8.57 5.04 0.00 2.84 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 28 S 8.80 4.98 0.00 3.64 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 29 A 7.63 4.80 0.19 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 30 T 8.45 3.82 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 1.19 0.00 0.00 31 W 7.39 4.43 0.00 3.59 3.28 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 32 C 7.48 4.60 0.00 2.05 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 33 G 8.60 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 34 P 0.00 4.35 0.00 2.20 2.17 0.00 3.62 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 2.16 2.22 0.00 35 C 8.09 4.24 0.00 3.02 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 36 K 7.37 3.93 0.00 1.93 1.88 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.58 7.81 37 M 7.83 4.21 0.00 2.20 2.12 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 2.64 2.57 0.00 38 I 7.70 4.37 2.04 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 1.77 1.53 1.23 0.00 0.00 39 K 7.78 3.98 0.00 2.07 1.86 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.57 7.81 40 P 0.00 4.32 0.00 2.30 2.14 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 41 F 8.33 4.30 0.00 3.16 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 42 F 8.65 4.01 0.00 3.40 3.29 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 43 H 8.59 3.89 0.00 3.27 3.39 0.00 5.65 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 44 S 8.12 4.00 0.00 3.99 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 45 L 7.50 3.90 0.00 1.24 1.57 0.78 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 46 S 6.51 2.87 0.00 3.61 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 47 E 7.05 4.06 0.00 1.94 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 2.20 2.15 0.00 48 K 7.75 3.94 0.00 1.55 1.72 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.62 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.38 1.09 7.81 49 Y 7.91 4.54 0.00 3.34 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 50 S 8.04 4.26 0.00 3.98 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 51 N 8.21 4.77 0.00 2.79 2.91 0.00 0.00 6.69 7.68 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 52 V 7.71 4.47 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 0.23 0.00 0.00 0.94 0.00 0.00 53 I 8.37 4.49 1.78 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 1.20 0.68 0.87 0.00 0.00 54 F 8.85 5.21 0.00 2.78 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 55 L 9.37 5.34 0.00 1.52 1.54 0.67 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 56 E 9.14 4.87 0.00 2.13 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 2.33 2.19 0.00 57 V 8.29 4.52 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 0.87 0.00 0.00 0.71 0.00 0.00 58 D 8.58 4.99 0.00 2.67 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 59 V 8.63 3.75 2.08 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 0.90 0.00 0.00 0.93 0.00 0.00 60 D 8.41 4.62 0.00 2.82 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 61 D 8.32 4.51 0.00 2.81 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 62 C 7.81 4.91 0.00 2.93 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 63 Q 8.13 4.19 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.91 0.00 0.00 0.00 0.00 0.00 2.64 2.39 0.00 64 D 7.99 4.29 0.00 2.84 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 65 V 7.65 3.35 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 0.24 0.00 0.00 0.74 0.00 0.00 66 A 8.02 3.68 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 67 S 8.21 3.96 0.00 3.95 3.89 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 68 E 8.20 4.05 0.00 1.95 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 2.34 2.43 0.00 69 C 8.00 4.38 0.00 2.72 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 70 E 7.91 3.65 0.00 2.07 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 2.21 2.19 0.00 71 V 7.42 3.52 1.75 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 0.52 0.00 0.00 -0.24 0.00 0.00 72 K 8.53 4.39 0.00 1.86 1.86 0.00 1.60 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.35 7.81 73 S 7.77 4.57 0.00 3.88 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 74 M 8.34 4.46 0.00 1.59 1.88 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.41 0.00 75 P 0.00 4.59 0.00 1.44 1.91 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.05 0.00 76 T 8.09 4.77 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 1.26 0.00 0.00 77 F 8.60 4.96 0.00 2.13 2.52 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 0.00 78 Q 8.71 5.22 0.00 2.33 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 79 F 8.78 5.27 0.00 3.02 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 80 F 9.57 5.44 0.00 2.87 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 81 K 8.93 4.75 0.00 1.68 1.67 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.43 7.81 82 K 9.85 3.76 0.00 1.87 1.85 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.43 7.81 83 G 8.30 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 84 Q 8.01 4.54 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 85 K 8.67 3.91 0.00 1.53 1.62 0.00 1.64 0.00 0.00 1.53 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.09 7.81 86 V 8.29 4.38 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 0.74 0.00 0.00 1.00 0.00 0.00 87 G 7.65 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 0.00 0.00 0.00 88 E 8.88 5.75 0.00 1.99 1.84 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 2.22 2.42 0.00 89 F 8.84 5.20 0.00 3.26 3.19 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 90 S 9.23 5.16 0.00 4.01 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 91 G 9.21 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 92 A 8.18 4.66 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 93 N 7.89 4.74 0.00 2.82 2.77 0.00 0.00 7.06 6.89 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 94 K 8.28 3.93 0.00 1.45 0.74 0.00 1.33 0.00 0.00 0.72 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.09 1.30 7.81 95 E 8.04 3.95 0.00 1.98 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 2.34 2.36 0.00 96 K 8.47 3.77 0.00 1.60 1.60 0.00 0.70 0.00 0.00 0.61 0.00 0.00 2.64 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.34 0.98 7.81 97 L 8.15 4.32 0.00 2.02 2.07 0.91 0.66 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 98 E 8.53 3.99 0.00 2.41 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 0.00 2.46 2.48 0.00 99 A 8.29 4.02 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 0.00 100 T 8.10 3.64 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 0.19 0.00 0.00 101 I 7.64 3.61 1.81 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 1.57 1.12 0.32 0.00 0.00 102 N 7.90 4.36 0.00 2.81 2.89 0.00 0.00 7.06 6.99 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 0.00 103 E 7.97 4.03 0.00 2.04 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 2.27 2.43 0.00 104 L 7.47 4.45 0.00 1.59 1.66 0.58 0.90 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 0.00 105 V 7.66 3.78 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 0.73 0.00 0.00 0.96 0.00 0.00