NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0803 8.3393 109.7374 45.6031 0.0000 172.7287 2 S 4.1907 8.1606 127.9712 56.6714 63.7359 173.3586 3 M 4.6678 8.6465 122.3084 52.8171 34.7199 174.8493 4 P 4.3978 0.0000 0.0000 65.0584 31.9974 177.0727 5 K 4.3169 7.2495 113.3869 54.5370 35.8289 171.6033 6 P 4.1808 0.0000 0.0000 61.4063 31.5608 177.9884 7 G 3.9642 9.0009 106.0464 42.9878 0.0000 173.4489 8 I 3.5925 8.3814 122.9117 61.8740 37.5965 175.3390 9 L 4.5110 8.3665 125.2086 53.0828 42.5875 176.0587 10 K 4.3530 8.2163 124.9641 54.8739 33.1298 175.2423 11 S 4.4808 8.4095 121.6017 57.5301 63.2360 174.0522 12 K 4.5183 8.2836 126.0504 54.4154 34.8320 175.6571 13 S 4.5319 8.4752 120.1432 58.3699 63.8729 173.2713 14 M 4.4552 7.7321 120.7803 55.3132 35.8198 172.9655 15 F 5.3049 8.4968 120.9747 57.7439 42.2266 175.4954 16 C 4.7647 7.6409 120.7564 58.1171 33.3511 172.8183 17 V 4.3292 8.7863 120.6717 61.1938 33.8457 174.4244 18 I 4.1129 8.3102 129.1931 60.1527 38.1660 174.9238 19 Y 5.1809 9.4422 125.9471 56.4349 39.9597 174.9395 20 R 4.1264 8.3482 116.7217 53.9754 32.8289 174.9804 21 S 3.7993 7.4813 118.3454 58.5650 62.5619 174.2480 22 S 4.3120 8.0888 122.6486 61.4386 63.3546 175.3959 23 K 4.2953 7.6788 118.6906 55.8950 32.7285 174.7380 24 R 4.3942 7.6899 123.0985 55.4587 33.4305 174.3267 25 D 4.3634 7.8813 119.0063 56.9572 41.5812 177.7160 26 Q 4.8858 7.3775 119.8418 55.1514 29.5000 174.4505 27 T 4.8029 7.6466 116.4528 62.9869 71.0647 175.4153 28 Y 5.7504 8.9211 121.6534 55.9306 42.8615 174.3524 29 L 5.5605 8.9612 122.2233 53.7948 44.8442 174.8935 30 Y 5.9238 9.8460 118.2796 55.7028 42.0129 175.1247 31 V 4.9899 8.3956 114.8843 59.7064 36.1054 175.8028 32 E 4.3517 9.0257 120.0093 58.1648 29.6883 176.4852 33 K 4.8181 7.4310 116.7561 56.1111 35.4971 175.7180 34 K 4.8008 8.5456 119.0589 55.4158 30.8414 175.0091 35 D 4.5687 6.9175 118.8555 54.7491 43.1372 175.9743 36 D 4.3745 7.0084 117.8640 54.0597 44.8971 175.5000 37 F 3.9566 8.6035 118.9052 55.9626 39.6976 175.3119 38 S 4.4644 7.2934 119.1268 57.8425 64.2968 175.1951 39 R 4.1167 6.5457 120.2852 57.3686 30.4641 176.7790 40 V 3.7467 7.3232 117.7799 60.5923 32.1596 174.5604 41 P 4.3678 0.0000 0.0000 62.5054 32.7904 177.1506 42 E 4.0443 8.8171 121.7504 58.4991 29.3344 178.6815 43 E 3.8698 7.9869 116.7352 59.2517 30.2295 178.1101 44 L 4.1610 7.6933 120.4924 57.8110 42.5396 177.9232 45 M 4.1301 7.9957 118.0157 58.7273 31.6703 177.9955 46 K 3.8499 7.4599 117.7108 59.6652 32.2597 178.9229 47 G 3.6921 8.3626 105.3435 47.5728 0.0000 175.4777 48 F 3.9517 7.9801 121.8122 58.7715 39.9532 177.4637 49 G 3.7209 9.3820 108.4661 46.3679 0.0000 175.8076 50 Q 4.5843 9.0408 131.2250 53.2984 30.4150 173.5949 51 P 5.2128 0.0000 0.0000 62.9902 32.6460 175.2965 52 Q 4.7688 8.8390 118.4584 54.3213 33.9121 174.4609 53 L 4.1699 8.5837 122.7504 54.3382 41.1674 175.1981 54 A 4.6481 8.3644 127.8763 52.7238 21.3589 176.3842 55 M 4.6989 7.8857 114.9338 54.4253 36.1926 173.6779 56 I 4.5833 8.3433 126.4358 59.4020 39.8798 174.5958 57 L 4.4424 8.3854 130.0678 53.1170 43.1306 174.5407 58 P 5.1045 0.0000 0.0000 61.9131 32.6190 176.2375 59 L 5.4648 8.0924 117.2856 54.4244 39.8262 175.9405 60 D 4.7273 7.9303 115.2257 54.0857 43.0888 175.1343 61 G 4.1904 8.4767 105.8074 46.5679 0.0000 174.6064 62 R 4.2640 7.5159 119.3839 54.1062 28.5598 174.1329 63 K 4.4370 7.9592 116.8713 54.3583 33.8406 176.2269 64 K 4.5586 8.4752 123.1611 54.8780 34.7987 175.7424 65 L 4.8362 8.3624 122.0500 52.9245 44.8154 176.4994 66 V 4.1315 8.0802 118.1628 62.3532 32.5207 177.1524 67 N 4.4256 8.0852 117.6957 55.1774 38.9343 174.6854 68 A 4.7021 7.4941 118.8083 49.9997 22.3291 175.4431 69 D 4.4789 8.2275 119.8882 53.3428 40.8842 177.2873 70 I 3.4550 8.4260 125.7711 64.1819 37.5433 177.3109 71 E 3.9214 7.9496 117.9144 59.2624 29.3814 178.9645 72 K 4.0134 7.7560 117.8289 58.1612 32.3515 178.6438 73 V 3.4416 6.9649 118.1103 64.0102 31.6271 177.6905 74 K 3.7778 7.4102 119.0899 59.6173 32.2766 178.7284 75 Q 4.1826 8.0512 114.3805 57.6347 29.1356 177.5622 76 A 4.3132 8.4761 121.9771 54.7592 19.2101 179.2102 77 L 3.3862 7.7799 116.5559 57.3257 41.7022 179.0649 78 T 3.9854 7.6408 112.1141 64.0903 67.3454 175.7714 79 E 4.3280 7.5974 118.4944 58.2348 30.3227 176.9693 80 Q 4.3157 8.1140 115.0382 58.6182 29.8213 176.1804 81 G 3.4333 7.9031 104.2284 44.8890 0.0000 172.9935 82 Y 5.2349 7.4375 116.0297 57.0228 42.4817 173.8031 83 Y 4.7513 9.8960 123.6476 56.3276 42.6301 173.1243 84 L 5.3927 8.2747 129.0752 53.5995 44.0745 175.0338 85 Q 4.7924 9.9960 125.2504 54.6318 31.0076 174.2855 86 L 4.9673 8.4252 124.6307 52.2903 44.8080 173.8418 87 P 4.5373 0.0000 0.0000 62.0831 31.6826 174.7792 88 P 4.5585 0.0000 0.0000 60.9678 32.3674 173.9149 89 P 4.5045 0.0000 0.0000 61.6028 33.0495 172.4565 90 P 4.1986 0.0000 0.0000 62.9161 30.2279 177.3410 91 E 5.3752 8.4319 116.7097 56.2201 32.7271 176.7080 92 D 4.5205 8.5429 120.5006 53.4598 41.6529 177.2718 93 L 3.4760 7.5852 120.0766 54.6818 41.1321 172.3911 94 L 4.3327 7.3018 116.2835 55.6969 45.7357 173.2435 95 K 4.7135 8.6300 112.1051 54.8327 31.7468 175.2084 96 Q 4.4656 7.6956 114.2357 56.6812 32.4672 176.1391 97 H 4.3358 8.1780 116.8488 56.4952 30.8786 176.0187 98 L 3.3492 8.2002 124.0116 56.3379 41.4262 174.5261 99 S 4.2700 8.2199 109.9445 58.3516 62.8051 175.1007 100 V 4.0936 8.0359 128.0282 61.5912 31.2198 173.7126 101 M 3.1243 8.1744 121.2438 56.0733 29.8153 176.2844 102 G 4.1376 8.4798 107.1796 44.5344 0.0000 170.3611 103 Q 4.5792 7.7593 117.4699 54.0221 31.6394 173.4571 104 K 4.5565 8.3683 118.1133 55.1645 34.5724 175.0175 105 T 4.5351 7.9005 117.0855 62.3482 71.2054 169.9620 106 D 4.4517 8.9427 131.1132 53.9123 42.4420 172.6292 107 D 4.5993 8.1897 123.2781 54.0350 44.5234 175.3331 108 T 4.2016 8.0962 109.7746 59.8146 67.5655 171.5621 109 N 4.1073 8.4898 126.0335 54.5622 39.1041 174.7806 110 K 4.1771 8.5632 123.9515 56.7040 32.2863 177.0266 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 G 8.34 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 0.00 0.00 0.00 2 S 8.16 4.19 0.00 4.01 3.68 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 3 M 8.65 4.67 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 4 P 0.00 4.40 0.00 2.18 2.18 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 5 K 7.25 4.32 0.00 1.71 1.69 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.24 1.30 7.81 6 P 0.00 4.18 0.00 2.18 1.95 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 7 G 9.00 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 0.00 0.00 0.00 8 I 8.38 3.59 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 1.30 0.58 0.91 0.00 0.00 9 L 8.37 4.51 0.00 1.55 1.56 0.92 0.53 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 10 K 8.22 4.35 0.00 1.84 1.77 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.42 7.81 11 S 8.41 4.48 0.00 3.87 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 12 K 8.28 4.52 0.00 1.65 1.62 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.39 7.81 13 S 8.48 4.53 0.00 3.87 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 14 M 7.73 4.46 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 15 F 8.50 5.30 0.00 3.12 2.90 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 16 C 7.64 4.76 0.00 2.71 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.79 4.33 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 0.78 0.00 0.00 1.19 0.00 0.00 18 I 8.31 4.11 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 -0.23 0.85 0.00 0.00 19 Y 9.44 5.18 0.00 2.90 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 20 R 8.35 4.13 0.00 1.33 1.83 0.00 2.93 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 21 S 7.48 3.80 0.00 3.23 3.30 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 22 S 8.09 4.31 0.00 3.96 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 23 K 7.68 4.30 0.00 1.74 1.74 0.00 1.46 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.46 7.81 24 R 7.69 4.39 0.00 1.51 1.66 0.00 3.19 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.34 0.00 25 D 7.88 4.36 0.00 2.64 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 26 Q 7.38 4.89 0.00 1.93 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.58 0.00 27 T 7.65 4.80 3.78 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 0.82 0.00 0.00 28 Y 8.92 5.75 0.00 3.27 2.95 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 29 L 8.96 5.56 0.00 1.14 1.14 -1.37 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 9.85 5.92 0.00 3.35 2.99 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 31 V 8.40 4.99 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 0.06 0.00 0.00 1.29 0.00 0.00 32 E 9.03 4.35 0.00 2.09 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 2.10 2.23 0.00 33 K 7.43 4.82 0.00 1.93 1.89 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.43 7.81 34 K 8.55 4.80 0.00 2.11 2.08 0.00 1.21 0.00 0.00 1.30 0.00 0.00 2.77 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.48 7.81 35 D 6.92 4.57 0.00 2.64 2.59 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 36 D 7.01 4.37 0.00 2.63 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.60 3.96 0.00 2.76 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 38 S 7.29 4.46 0.00 3.84 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 39 R 6.55 4.12 0.00 1.82 1.97 0.00 3.69 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 40 V 7.32 3.75 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 0.78 0.00 0.00 0.86 0.00 0.00 41 P 0.00 4.37 0.00 2.37 2.21 0.00 3.68 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 2.06 2.00 0.00 42 E 8.82 4.04 0.00 2.03 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 0.00 2.36 2.34 0.00 43 E 7.99 3.87 0.00 2.15 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 0.00 2.26 2.35 0.00 44 L 7.69 4.16 0.00 1.72 1.68 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 45 M 8.00 4.13 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 46 K 7.46 3.85 0.00 2.05 1.88 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.67 7.81 47 G 8.36 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 0.00 0.00 0.00 48 F 7.98 3.95 0.00 3.03 2.88 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 49 G 9.38 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 50 Q 9.04 4.58 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 51 P 0.00 5.21 0.00 1.73 0.97 0.00 3.59 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.31 0.00 52 Q 8.84 4.77 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.86 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 53 L 8.58 4.17 0.00 1.52 1.54 0.82 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.36 4.65 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 55 M 7.89 4.70 0.00 2.04 1.87 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 2.47 2.53 0.00 56 I 8.34 4.58 1.92 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 1.27 0.72 1.20 0.00 0.00 57 L 8.39 4.44 0.00 1.63 1.31 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 5.10 0.00 2.19 2.15 0.00 3.75 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 59 L 8.09 5.46 0.00 1.81 2.04 0.97 0.80 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 60 D 7.93 4.73 0.00 2.64 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.48 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 62 R 7.52 4.26 0.00 1.81 1.90 0.00 3.15 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 63 K 7.96 4.44 0.00 1.78 1.79 0.00 1.48 0.00 0.00 1.74 0.00 0.00 3.20 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.36 7.81 64 K 8.48 4.56 0.00 1.82 1.78 0.00 1.50 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.27 1.40 7.81 65 L 8.36 4.84 0.00 1.79 1.60 1.06 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.08 4.13 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 0.78 0.00 0.00 0.91 0.00 0.00 67 N 8.09 4.43 0.00 2.70 3.10 0.00 0.00 6.36 7.03 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 68 A 7.49 4.70 0.96 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 0.00 0.00 69 D 8.23 4.48 0.00 2.70 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.43 3.45 1.81 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 1.67 1.58 0.92 0.00 0.00 71 E 7.95 3.92 0.00 2.23 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 0.00 2.31 2.37 0.00 72 K 7.76 4.01 0.00 1.75 1.92 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.44 1.57 7.81 73 V 6.96 3.44 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 0.91 0.00 0.00 -0.61 0.00 0.00 74 K 7.41 3.78 0.00 1.87 1.83 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.65 1.50 7.81 75 Q 8.05 4.18 0.00 2.30 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.33 6.99 0.00 0.00 0.00 0.00 0.00 2.44 2.56 0.00 76 A 8.48 4.31 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 0.00 0.00 77 L 7.78 3.39 0.00 1.67 1.64 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.64 3.99 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 1.25 0.00 0.00 79 E 7.60 4.33 0.00 2.24 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 2.30 2.57 0.00 80 Q 8.11 4.32 0.00 2.30 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 81 G 7.90 3.43 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 82 Y 7.44 5.23 0.00 3.00 3.16 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 83 Y 9.90 4.75 0.00 3.10 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 84 L 8.27 5.39 0.00 1.73 1.49 1.35 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 10.00 4.79 0.00 2.35 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.67 0.00 0.00 0.00 0.00 0.00 2.85 3.06 0.00 86 L 8.43 4.97 0.00 1.64 1.57 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.54 0.00 2.14 2.11 0.00 3.88 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 88 P 0.00 4.56 0.00 2.21 2.12 0.00 3.78 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 89 P 0.00 4.50 0.00 2.20 2.10 0.00 3.77 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 1.98 1.95 0.00 90 P 0.00 4.20 0.00 2.20 1.95 0.00 3.90 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 1.99 1.99 0.00 91 E 8.43 5.38 0.00 2.04 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 2.07 2.02 0.00 92 D 8.54 4.52 0.00 2.65 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.59 3.48 0.00 1.76 1.67 0.93 0.92 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 94 L 7.30 4.33 0.00 1.52 1.52 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.63 4.71 0.00 1.74 1.71 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.32 7.81 96 Q 7.70 4.47 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.96 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 97 H 8.18 4.34 0.00 3.12 3.23 0.00 5.90 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.20 3.35 0.00 1.75 1.62 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.22 4.27 0.00 3.82 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 0.00 100 V 8.04 4.09 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 0.95 0.00 0.00 0.93 0.00 0.00 101 M 8.17 3.12 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 102 G 8.48 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 7.76 4.58 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 104 K 8.37 4.56 0.00 1.71 1.73 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.42 7.81 105 T 7.90 4.54 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 0.00 106 D 8.94 4.45 0.00 2.80 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 0.00 107 D 8.19 4.60 0.00 2.65 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.10 4.20 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 0.00 109 N 8.49 4.11 0.00 2.68 2.84 0.00 0.00 7.29 6.68 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 0.00 110 K 8.56 4.18 0.00 1.78 1.70 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.37 7.81