NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3874 8.3044 120.3493 53.7195 33.6520 175.5227 2 L 4.1959 7.6520 112.7275 52.2352 45.6255 171.4279 3 M 3.9547 8.1275 125.2401 53.9347 33.3209 172.8251 4 P 4.5639 0.0000 0.0000 63.2308 31.9292 176.7616 5 R 4.1948 8.4281 118.4244 57.9280 30.6374 177.1105 6 R 4.6818 7.5502 115.7113 54.7868 34.0798 174.1967 7 M 4.7538 8.3624 120.8526 53.2457 35.5742 175.2464 8 K 3.8180 8.8592 123.4732 58.8814 32.3613 176.8386 9 Y 5.1020 7.2376 113.8417 55.9872 41.0241 175.5095 10 R 4.0756 9.0035 124.9262 58.9137 30.5883 176.4120 11 K 4.6890 7.8164 115.7965 54.4347 34.5950 175.4783 12 Q 4.5788 8.0777 118.6434 53.9803 31.7199 174.6279 13 Q 4.1691 8.5410 118.0652 56.5446 29.4689 177.7540 14 R 4.1404 8.7701 118.0533 58.8495 30.5678 176.7155 15 G 3.9704 7.9841 108.4135 44.7575 0.0000 172.6317 16 R 4.5458 8.2488 119.6999 54.4451 32.2145 174.9228 17 L 4.8040 8.2422 118.0539 52.8154 44.2242 176.4799 18 K 4.6073 8.4403 122.1383 53.9270 35.0444 176.9127 19 G 3.8135 8.1295 108.3836 45.8702 0.0000 173.3851 20 A 3.4195 8.7607 127.8801 51.5378 15.0203 180.7906 21 T 3.5788 9.8467 122.9214 63.5308 67.1553 172.3562 22 K 4.3148 8.2843 126.1041 58.7930 32.2769 176.7036 23 G 3.9098 7.5768 103.4028 45.1441 0.0000 172.3718 24 G 3.6829 8.4850 105.5795 46.0896 0.0000 174.4597 25 D 4.7421 7.6918 116.5562 52.4035 40.0542 175.1141 26 Y 4.6214 6.4984 116.8261 54.7859 41.2509 175.8648 27 V 3.4879 8.8442 119.7451 67.2794 32.2886 177.4806 28 A 3.6272 7.6100 119.4707 51.9838 15.5874 174.3270 29 F 3.9424 7.1672 135.0000 57.9383 44.1184 172.8364 30 G 4.3334 8.4930 109.8813 44.5784 0.0000 171.6746 31 D 4.3419 8.7120 118.7982 56.5418 40.0881 175.6674 32 Y 4.9635 7.4921 114.4025 56.6949 42.2888 173.7605 33 G 4.3390 8.3656 106.1385 46.2646 0.0000 172.4254 34 L 5.2493 8.6199 121.3298 53.1104 44.4497 176.1611 35 V 4.4448 8.4756 125.9618 61.0593 33.6276 175.1135 36 A 4.9336 8.6716 123.3104 50.8014 21.0787 177.4799 37 L 4.7741 8.5241 117.2857 54.4010 43.7278 176.4635 38 E 4.8908 7.9536 116.8247 53.8085 33.7357 173.2741 39 P 4.9162 0.0000 0.0000 61.6464 33.4341 174.8527 40 A 4.4338 7.6028 124.3658 51.9138 23.0777 175.5975 41 W 5.2212 8.2222 119.4024 55.5880 30.5040 176.3819 42 I 5.1434 9.0536 127.7965 59.5148 38.0210 176.2584 43 T 4.3556 8.7608 117.5624 61.1499 69.6510 175.4114 44 A 4.0590 8.5751 125.8233 55.1199 18.0227 180.0835 45 Q 4.2504 7.8118 114.5636 58.7714 28.7906 178.6062 46 Q 3.9527 8.0861 120.6719 59.2605 28.9586 177.6225 47 I 4.0315 7.8657 120.3926 64.4986 37.0769 177.3355 48 E 4.0626 9.1104 119.5831 58.0837 29.5066 178.2689 49 A 4.2741 7.5154 119.3778 54.5857 19.5670 178.9280 50 A 4.1586 8.1274 118.6773 54.5821 18.9877 179.6405 51 R 3.7444 8.4043 117.9019 59.3933 30.2481 178.5089 52 V 3.5088 7.3754 117.8411 66.2480 31.4594 177.8832 53 A 3.9832 7.8349 119.9133 55.1230 17.8892 178.8183 54 M 3.6631 7.7510 116.7849 59.0919 32.0790 178.8326 55 V 3.7264 7.6348 111.3152 64.7265 31.6969 178.5820 56 R 3.8999 7.4863 116.4412 60.2458 29.9975 177.6337 57 H 3.9883 7.9931 116.4989 57.9700 31.0503 175.7301 58 F 4.7995 7.5014 115.4151 54.8665 37.4224 176.6122 59 R 4.2906 7.6598 115.1352 58.1943 29.5348 176.9244 60 R 4.0796 9.0273 120.8029 56.8430 27.8128 177.2713 61 G 3.8444 7.9817 112.4514 45.8053 0.0000 174.1636 62 G 4.4151 7.5822 112.8315 44.0979 0.0000 172.8682 63 K 4.2597 8.4702 120.4082 56.3913 33.5142 175.4821 64 I 4.9383 7.9601 125.2409 59.5254 40.3802 174.6729 65 F 4.7002 9.5806 125.9341 55.7072 41.4134 174.8916 66 I 4.4733 8.2777 117.8535 58.6513 37.3445 175.7228 67 R 4.5675 9.0870 134.7842 56.4860 29.7157 176.3059 68 I 4.7379 7.7475 110.1396 59.5439 40.6039 173.6338 69 F 4.9886 8.4805 123.5421 55.8464 42.1998 173.2888 70 P 4.4909 0.0000 0.0000 62.0843 29.8023 174.7570 71 D 4.5402 8.0794 125.0274 54.1429 41.2635 177.2641 72 K 4.1982 7.6603 122.1876 55.2934 33.3101 174.2046 73 P 4.2383 0.0000 0.0000 61.9541 32.4609 174.8396 74 Y 4.4550 9.1872 127.1384 56.9931 40.2792 174.0180 75 T 4.8512 7.6330 122.6766 61.5253 71.1492 173.5408 76 K 4.4613 8.1888 126.9893 54.5692 35.2657 176.2336 77 K 4.1841 8.6852 126.6013 55.2706 32.5487 174.9929 78 P 4.2458 0.0000 0.0000 62.6355 31.8649 175.8197 79 L 3.9240 8.2402 123.2153 56.6031 42.4329 176.5629 80 E 3.8045 8.8959 124.2064 56.6984 28.0136 174.0733 81 V 4.2112 7.1651 109.4817 59.9294 33.2704 175.6024 82 R 4.3828 7.9711 118.4006 54.7416 31.1869 175.5143 83 M 4.1127 8.3222 117.9485 55.7415 32.5596 177.7121 84 G 3.8331 8.9068 108.5220 46.2806 0.0000 172.7553 85 K 3.6609 9.1773 113.5652 57.4941 28.7591 177.0920 86 G 3.9953 8.2630 101.9141 45.0906 0.0000 173.4986 87 K 4.0936 8.0985 120.1907 55.4251 32.8498 176.7999 88 G 3.9497 8.3073 112.7638 46.0017 0.0000 172.1814 89 N 4.8156 8.4395 117.8411 52.1966 39.6358 173.6230 90 V 4.1603 8.0831 118.5606 62.3803 31.9618 175.4115 91 E 4.2783 9.3249 127.7320 58.0027 30.6653 176.4493 92 G 4.0049 6.7957 104.8887 45.9113 0.0000 170.9162 93 Y 4.9749 7.9080 115.5773 56.5569 42.6543 174.9850 94 V 4.9413 9.2207 112.9199 60.0971 36.8099 173.7948 95 A 4.7644 9.2090 125.0793 50.5698 21.4129 176.8271 96 V 4.3422 8.3443 122.0535 61.9197 31.6215 174.7484 97 V 4.1989 8.4919 127.8906 61.7403 33.2566 174.9813 98 K 4.9202 8.3918 125.6844 53.4932 36.1264 173.2971 99 P 4.2842 0.0000 0.0000 65.9499 30.6885 175.9900 100 G 3.8121 8.7886 114.5550 45.4543 0.0000 173.2482 101 R 4.1428 7.9851 121.6226 56.3382 31.3331 175.7639 102 V 4.2059 8.5452 127.3035 62.5610 31.5476 175.5004 103 M 4.3382 8.9299 128.9601 57.6014 32.6486 177.4153 104 F 6.0434 7.9675 115.3179 54.8782 43.0292 173.7076 105 E 5.7067 8.3648 118.5361 56.9376 31.5912 177.3227 106 V 4.8112 7.6397 115.8742 60.4250 35.0072 174.3558 107 A 4.6998 8.7992 120.6871 53.3691 21.8017 177.6251 108 G 3.9348 9.7815 107.6677 45.8729 0.0000 173.7135 109 V 4.4001 7.3252 117.4901 59.9161 34.9075 175.7311 110 T 4.1813 7.8739 114.2147 61.2883 70.1602 175.5188 111 E 3.5175 8.7178 121.3493 58.5430 29.4390 178.9805 112 E 3.9102 7.9354 120.7341 59.5150 29.9652 178.2690 113 Q 4.1435 8.3975 117.5727 58.1818 28.7432 178.5595 114 A 4.0435 7.9159 122.4212 55.4096 18.5033 179.1936 115 M 3.8908 7.3755 116.2266 58.6672 32.0941 178.8277 116 E 3.8504 7.8980 118.8632 59.3244 29.6615 178.1560 117 A 3.6589 7.7483 119.6539 55.2820 18.6270 179.1041 118 L 4.1090 8.5146 116.7501 58.0523 41.6679 179.6197 119 R 3.8401 7.9461 118.3379 60.0181 29.7453 178.3699 120 I 3.8946 7.9776 118.8717 64.2934 36.9454 178.3594 121 A 4.2022 8.7272 122.3070 54.9619 18.1769 179.6292 122 G 3.5941 7.7670 102.0723 47.2919 0.0000 175.2798 123 H 4.2722 7.5829 117.9968 58.3494 29.0205 177.1599 124 K 4.2163 8.1715 118.6054 56.6651 32.6125 176.7791 125 L 4.6406 6.8564 120.4178 52.2136 43.0918 175.7477 126 P 4.3026 0.0000 0.0000 63.3543 30.7566 175.3994 127 I 4.7532 7.3765 111.3361 59.1669 41.2434 174.8566 128 K 4.3119 8.7616 122.8044 56.5710 32.9998 176.6669 129 T 4.9837 8.3101 113.9619 59.9642 72.4062 172.4467 130 K 4.6714 8.5811 120.4124 55.3592 35.9804 174.5733 131 I 5.1396 8.2731 124.3104 60.0625 40.1234 175.0329 132 V 4.4193 8.3875 116.0639 62.3159 36.4986 176.1409 133 R 4.0643 8.9291 122.3059 56.3922 29.3857 178.0203 134 R 3.3393 7.9433 118.1465 55.1155 33.6674 175.6414 135 D 3.9243 6.9475 118.5863 55.1975 38.6429 176.9209 136 A 4.4649 9.0164 118.8223 52.4380 19.1962 178.9591 137 Y 4.7524 7.4454 112.9321 59.3294 37.6962 175.3866 138 D 4.5848 7.4950 120.5545 53.6122 42.3909 176.3308 139 E 4.6402 8.3099 120.7617 55.3571 29.9284 173.3522 140 A 5.0450 7.3900 123.4101 51.2864 22.1129 176.5963 141 Q 4.0955 8.3890 113.5162 56.7832 29.8770 174.5195 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 4.39 0.00 2.00 1.93 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 2.49 2.49 0.00 2 L 7.65 4.20 0.00 1.66 1.43 1.22 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 3 M 8.13 3.95 0.00 1.73 0.84 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 4 P 0.00 4.56 0.00 2.21 2.24 0.00 2.97 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.90 0.00 5 R 8.43 4.19 0.00 1.81 2.01 0.00 3.17 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 6 R 7.55 4.68 0.00 1.72 1.75 0.00 3.14 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 7 M 8.36 4.75 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 8 K 8.86 3.82 0.00 1.04 0.90 0.00 1.54 0.00 0.00 1.45 0.00 0.00 2.33 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.23 1.28 7.81 9 Y 7.24 5.10 0.00 2.94 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 10 R 9.00 4.08 0.00 1.82 1.98 0.00 3.22 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 11 K 7.82 4.69 0.00 1.73 1.63 0.00 1.72 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.36 7.81 12 Q 8.08 4.58 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.97 0.00 0.00 0.00 0.00 0.00 2.16 2.29 0.00 13 Q 8.54 4.17 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 14 R 8.77 4.14 0.00 1.96 2.37 0.00 3.42 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.74 0.00 15 G 7.98 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 0.00 0.00 0.00 0.00 16 R 8.25 4.55 0.00 1.80 1.90 0.00 3.17 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 17 L 8.24 4.80 0.00 1.63 1.57 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.44 4.61 0.00 1.72 1.71 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.35 7.81 19 G 8.13 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 20 A 8.76 3.42 1.32 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 0.00 0.00 0.00 21 T 9.85 3.58 4.20 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 1.27 0.00 0.00 22 K 8.28 4.31 0.00 1.74 1.86 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 23 G 7.58 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 24 G 8.49 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 0.00 0.00 0.00 25 D 7.69 4.74 0.00 2.67 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 26 Y 6.50 4.62 0.00 2.87 2.84 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 0.00 0.00 0.00 27 V 8.84 3.49 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 0.95 0.00 0.00 1.16 0.00 0.00 28 A 7.61 3.63 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 29 F 7.17 3.94 0.00 3.03 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 30 G 8.49 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 0.00 0.00 0.00 0.00 31 D 8.71 4.34 0.00 2.87 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.49 4.96 0.00 3.06 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 33 G 8.37 4.34 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 0.00 34 L 8.62 5.25 0.00 1.80 1.51 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.48 4.44 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 0.64 0.00 0.00 0.97 0.00 0.00 36 A 8.67 4.93 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 37 L 8.52 4.77 0.00 1.59 1.64 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 38 E 7.95 4.89 0.00 1.75 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 0.00 2.17 2.25 0.00 39 P 0.00 4.92 0.00 2.06 2.04 0.00 3.88 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 40 A 7.60 4.43 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 41 W 8.22 5.22 0.00 3.26 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 42 I 9.05 5.14 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 0.91 1.02 0.99 0.00 0.00 43 T 8.76 4.36 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 1.12 0.00 0.00 44 A 8.58 4.06 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 45 Q 7.81 4.25 0.00 2.32 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 46 Q 8.09 3.95 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 47 I 7.87 4.03 2.10 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 1.79 0.80 0.96 0.00 0.00 48 E 9.11 4.06 0.00 2.02 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 2.30 2.37 0.00 49 A 7.52 4.27 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.13 4.16 1.73 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 0.00 0.00 51 R 8.40 3.74 0.00 1.49 1.76 0.00 2.99 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.35 0.00 52 V 7.38 3.51 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 0.94 0.00 0.00 0.93 0.00 0.00 53 A 7.83 3.98 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 54 M 7.75 3.66 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.63 0.00 55 V 7.63 3.73 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 0.93 0.00 0.00 0.99 0.00 0.00 56 R 7.49 3.90 0.00 1.92 1.99 0.00 3.33 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 57 H 7.99 3.99 0.00 3.02 3.05 0.00 5.74 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 7.50 4.80 0.00 3.21 3.35 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 59 R 7.66 4.29 0.00 1.97 2.19 0.00 2.71 0.00 0.00 2.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 60 R 9.03 4.08 0.00 2.05 2.17 0.00 3.21 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 61 G 7.98 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.58 4.42 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 0.00 0.00 0.00 63 K 8.47 4.26 0.00 1.75 1.65 0.00 1.56 0.00 0.00 0.93 0.00 0.00 2.73 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.40 1.00 7.81 64 I 7.96 4.94 1.81 0.00 0.00 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 1.62 0.88 0.96 0.00 0.00 65 F 9.58 4.70 0.00 2.94 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 66 I 8.28 4.47 1.89 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 1.26 0.62 0.51 0.00 0.00 67 R 9.09 4.57 0.00 2.04 2.03 0.00 3.19 0.00 0.00 3.43 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 68 I 7.75 4.74 1.97 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.64 0.98 0.00 0.00 69 F 8.48 4.99 0.00 2.86 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 70 P 0.00 4.49 0.00 2.02 1.93 0.00 2.94 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.65 0.00 71 D 8.08 4.54 0.00 2.83 2.93 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 72 K 7.66 4.20 0.00 1.65 1.58 0.00 1.05 0.00 0.00 0.61 0.00 0.00 2.38 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.04 1.17 7.81 73 P 0.00 4.24 0.00 1.78 1.53 0.00 3.61 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 74 Y 9.19 4.46 0.00 2.84 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 75 T 7.63 4.85 4.03 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 1.14 0.00 0.00 76 K 8.19 4.46 0.00 1.55 1.54 0.00 1.86 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.39 7.81 77 K 8.69 4.18 0.00 1.76 1.70 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.42 7.81 78 P 0.00 4.25 0.00 2.16 1.99 0.00 3.59 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 79 L 8.24 3.92 0.00 1.61 1.58 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.90 3.80 0.00 2.15 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 2.16 2.31 0.00 81 V 7.17 4.21 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 0.85 0.00 0.00 0.92 0.00 0.00 82 R 7.97 4.38 0.00 1.90 1.95 0.00 3.04 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 83 M 8.32 4.11 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 84 G 8.91 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 0.00 0.00 0.00 85 K 9.18 3.66 0.00 1.92 1.95 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.36 7.81 86 G 8.26 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 0.00 0.00 0.00 87 K 8.10 4.09 0.00 1.70 1.67 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.39 7.81 88 G 8.31 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 89 N 8.44 4.82 0.00 2.83 2.97 0.00 0.00 5.51 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 90 V 8.08 4.16 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 0.50 0.00 0.00 0.82 0.00 0.00 91 E 9.32 4.28 0.00 2.10 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 2.28 2.46 0.00 92 G 6.80 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 0.00 0.00 0.00 93 Y 7.91 4.97 0.00 2.82 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 94 V 9.22 4.94 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 0.83 0.00 0.00 0.60 0.00 0.00 95 A 9.21 4.76 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 96 V 8.34 4.34 2.12 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 0.93 0.00 0.00 0.86 0.00 0.00 97 V 8.49 4.20 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 0.88 0.00 0.00 0.96 0.00 0.00 98 K 8.39 4.92 0.00 1.72 1.67 0.00 1.74 0.00 0.00 2.24 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.47 7.81 99 P 0.00 4.28 0.00 1.92 2.15 0.00 3.65 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 2.01 2.05 0.00 100 G 8.79 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 0.00 101 R 7.99 4.14 0.00 1.97 1.88 0.00 3.21 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 102 V 8.55 4.21 2.15 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 0.90 0.00 0.00 0.97 0.00 0.00 103 M 8.93 4.34 0.00 1.91 1.57 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 104 F 7.97 6.04 0.00 2.99 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 0.00 105 E 8.36 5.71 0.00 2.50 2.23 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 2.30 2.23 0.00 106 V 7.64 4.81 2.28 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 1.38 0.00 0.00 1.19 0.00 0.00 107 A 8.80 4.70 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 0.00 108 G 9.78 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 0.00 109 V 7.33 4.40 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 0.78 0.00 0.00 0.29 0.00 0.00 110 T 7.87 4.18 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 1.32 0.00 0.00 111 E 8.72 3.52 0.00 2.05 2.33 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 2.37 2.30 0.00 112 E 7.94 3.91 0.00 2.06 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 0.00 2.41 2.41 0.00 113 Q 8.40 4.14 0.00 2.36 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 114 A 7.92 4.04 1.02 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 0.00 0.00 115 M 7.38 3.89 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.83 0.00 116 E 7.90 3.85 0.00 2.14 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 2.44 2.46 0.00 117 A 7.75 3.66 1.11 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 0.00 0.00 118 L 8.51 4.11 0.00 1.68 1.79 1.07 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.95 3.84 0.00 2.08 2.10 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 120 I 7.98 3.89 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.82 0.92 0.00 0.00 121 A 8.73 4.20 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 7.77 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 0.00 0.00 0.00 123 H 7.58 4.27 0.00 3.45 3.36 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 8.17 4.22 0.00 1.89 1.91 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.71 1.67 7.81 125 L 6.86 4.64 0.00 1.72 1.49 0.50 0.89 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 0.00 126 P 0.00 4.30 0.00 2.14 2.12 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.09 0.00 127 I 7.38 4.75 1.83 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 1.17 0.66 0.88 0.00 0.00 128 K 8.76 4.31 0.00 1.74 1.74 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.51 7.81 129 T 8.31 4.98 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 1.11 0.00 0.00 130 K 8.58 4.67 0.00 1.84 1.61 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.43 7.81 131 I 8.27 5.14 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.79 1.08 0.00 0.00 132 V 8.39 4.42 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 0.80 0.00 0.00 0.98 0.00 0.00 133 R 8.93 4.06 0.00 1.80 1.53 0.00 3.31 0.00 0.00 3.22 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.82 0.00 134 R 7.94 3.34 0.00 1.41 1.48 0.00 3.10 0.00 0.00 3.43 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.47 0.00 135 D 6.95 3.92 0.00 2.76 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 0.00 136 A 9.02 4.46 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 Y 7.45 4.75 0.00 2.84 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 0.00 138 D 7.50 4.58 0.00 2.55 2.50 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 0.00 139 E 8.31 4.64 0.00 1.71 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 0.00 2.16 2.31 0.00 140 A 7.39 5.05 1.17 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 0.00 0.00 141 Q 8.39 4.10 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.60 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00