NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4392 8.3044 118.1955 55.2186 32.5557 174.3343 1 V 4.2066 7.8468 118.1894 60.7742 34.1384 173.2767 2 L 4.2266 8.3282 127.6768 54.2728 43.3615 176.9569 3 S 4.5766 8.6040 117.2338 57.5361 65.5740 175.1293 4 E 4.2984 8.7817 122.1485 59.4689 29.4262 178.8835 5 G 3.6758 8.1253 105.3678 47.6529 0.0000 175.4471 6 E 3.8807 7.9992 120.3626 59.1774 29.4429 179.2321 7 W 4.4987 7.9388 118.9216 60.1419 29.0644 178.6196 8 Q 4.1243 8.4646 117.8201 59.0367 28.0538 178.7849 9 L 4.0885 7.9460 119.8426 57.8474 41.6541 179.8182 10 V 3.7709 7.9971 118.2643 65.8628 31.5649 177.6143 11 L 4.4599 8.5728 117.7753 56.5165 41.4421 178.4788 12 H 4.3703 8.4062 119.4673 58.9219 29.9825 177.3203 13 V 3.7550 7.8155 121.0293 64.1172 31.4405 178.2094 14 W 3.9195 8.5718 128.9504 60.0569 30.2535 177.7875 15 A 3.9826 7.9559 120.1545 54.5595 18.0140 179.5176 16 K 3.9312 7.2280 117.5207 59.4142 32.2594 179.3227 17 V 2.8203 7.1418 118.4128 66.0025 30.9694 177.6148 18 E 3.8939 7.6043 115.5844 58.0286 29.2884 178.5433 19 A 4.2407 7.4702 120.7012 53.6563 19.7990 177.4389 20 D 4.6157 7.8518 116.8569 51.8377 42.1018 175.5603 21 V 3.4929 7.9409 122.8756 65.2750 31.9028 176.8711 22 A 4.0874 7.9692 120.3229 54.9893 18.3386 179.6612 23 G 3.7496 8.2683 105.5781 47.7003 0.0000 175.7110 24 H 4.1081 8.2555 118.9748 58.3446 28.7232 177.8074 25 G 3.8158 8.3645 108.0069 48.1750 0.0000 175.3019 26 Q 3.8699 8.2415 121.0083 58.6717 28.7395 178.5386 27 D 4.3501 8.0151 119.5546 57.7880 40.8726 179.4644 28 I 3.6485 7.7648 119.7306 64.4728 37.0450 178.6366 29 L 3.4819 7.7524 119.7301 57.3759 41.2834 179.7000 30 I 3.7289 7.7335 120.0739 64.2435 36.9813 178.3079 31 R 3.8407 8.0298 119.7151 59.1151 29.8105 178.3236 32 L 3.8724 7.8625 120.2431 58.2965 42.1660 179.0365 33 F 4.6122 7.8176 117.8594 60.4816 38.5837 177.9521 34 K 4.0914 8.3160 117.6153 59.7687 32.0226 179.3953 35 S 4.3210 8.0608 114.1570 60.4621 63.7716 174.3971 36 H 4.6345 8.5128 118.9571 52.3616 29.6333 171.9796 37 P 4.5600 0.0000 0.0000 64.0231 31.4224 177.5538 38 E 4.2763 8.2084 116.7448 59.3120 29.5604 178.9767 39 T 3.8730 8.1960 111.1283 64.3059 68.8791 176.2128 40 L 3.8246 8.0624 122.9560 57.4138 41.7692 178.4131 41 E 4.1461 8.0858 117.6124 58.7775 29.4642 178.5860 42 K 4.3949 8.1851 117.5185 57.1676 32.8962 177.6931 43 F 4.3458 8.0976 119.1638 55.5022 38.4295 175.7948 44 D 4.3812 8.3882 124.2814 56.8317 40.9406 177.9973 45 R 4.3654 7.6381 112.8558 56.3921 30.2111 176.6259 46 F 4.9554 7.6273 117.6976 59.5291 41.6076 179.5802 47 K 4.6894 7.3698 118.2236 59.2615 32.4626 176.5659 48 H 4.2734 8.1821 111.4360 57.6317 28.6398 175.7201 49 L 3.9059 7.3645 121.1656 55.1261 41.6884 176.9333 50 K 4.3117 9.1931 123.2662 57.1520 33.5767 176.5482 51 T 4.7229 7.2875 107.7009 59.0210 73.2230 174.1149 52 E 3.9732 8.5807 119.8313 59.0200 29.5017 178.3134 53 A 3.9648 7.8826 120.7795 55.0749 18.3247 179.2667 54 E 3.9427 7.9259 116.1952 59.7357 29.7551 179.2041 55 M 4.1213 8.1196 118.8832 58.2361 31.7832 178.9442 56 K 3.9561 8.1540 117.8131 58.8108 32.2663 178.2483 57 A 4.4611 7.4578 117.9539 50.9538 19.1542 176.5242 58 S 4.4398 7.5356 114.9048 57.3146 63.4017 174.7552 59 E 4.0657 8.6675 128.0223 58.7866 29.5004 178.3390 60 D 4.4435 7.9835 118.9801 57.2256 41.0843 178.0790 61 L 3.0406 7.5517 120.8367 57.6309 41.8962 178.9994 62 K 3.9005 7.7665 119.4642 59.1639 32.0160 179.0771 63 K 4.1030 8.2099 119.1002 59.4626 32.0460 179.5640 64 G 3.9155 8.4141 106.1661 47.7023 0.0000 176.0128 65 G 3.6228 8.3315 108.0890 47.6271 0.0000 176.0292 66 V 3.6142 7.8301 120.9485 66.0380 31.5832 178.0857 67 T 3.8972 8.2596 115.4693 66.7838 68.2877 176.4265 68 A 4.1252 8.2577 122.5252 55.1130 18.4155 179.7618 69 L 4.1637 8.2960 117.7124 58.1047 41.8504 179.6781 70 T 3.9671 8.2938 115.7206 66.7858 68.3171 176.4535 71 A 4.0339 8.1022 122.5565 54.9724 18.3528 179.4840 72 L 3.7076 8.2023 119.0625 58.1661 42.1705 179.2610 73 G 3.4406 8.5593 105.8841 47.8884 0.0000 175.3627 74 A 4.0982 7.7328 121.3941 54.4025 18.6649 179.5755 75 I 3.8540 7.2652 118.8018 64.4746 37.2586 178.4606 76 L 4.0168 7.7188 119.7953 57.6398 41.1486 179.6595 77 K 3.9164 7.6584 117.2982 58.7301 32.2164 179.1569 78 K 3.9154 7.7751 118.9075 56.6987 31.8846 177.1607 79 K 2.0000 8.0298 117.3010 56.8390 29.4747 176.2013 80 G 4.0868 8.1838 107.7504 46.1195 0.0000 175.0715 81 H 4.5174 7.4527 119.0422 54.8981 27.2809 174.7030 82 H 5.3227 7.5057 111.9602 54.0439 29.3001 176.2859 83 E 3.9934 8.4833 121.0612 60.2989 28.6998 178.9807 84 A 4.0443 7.8997 119.9901 54.8937 19.2164 178.8709 85 E 4.0689 8.2146 116.6830 59.5643 29.4874 179.1775 86 L 3.9568 8.2842 120.0637 57.3982 42.0969 179.1561 87 K 3.9889 7.7418 118.2058 59.0605 32.0605 177.4537 88 P 4.3499 0.0000 0.0000 65.5639 31.3871 178.1610 89 L 4.0348 7.5077 118.3677 57.8957 41.9242 178.7560 90 A 4.2421 8.4414 121.1995 54.9420 18.3374 179.4399 91 Q 3.8392 8.2252 118.4290 59.4730 29.1498 178.7444 92 S 4.0343 8.2757 115.2217 61.5396 62.9734 175.9800 93 H 4.1520 8.4847 119.6586 58.1775 28.6722 177.4207 94 A 2.6848 8.1439 122.8956 54.0101 18.0188 179.1751 95 T 3.9339 7.4039 112.4752 64.6952 69.5976 176.1702 96 K 4.0155 7.4934 119.9778 58.7656 32.7681 177.0315 97 H 4.3835 7.8625 114.1492 55.5849 29.7738 174.9355 98 K 3.4453 7.4065 116.3874 56.3717 28.1715 174.7766 99 I 4.3798 8.0503 119.5126 58.7077 39.1414 174.8833 100 P 4.6931 0.0000 0.0000 62.1665 32.3220 177.2056 101 I 3.5882 8.2477 121.5632 64.6509 36.8876 178.5391 102 K 3.6467 7.9069 119.8121 59.8207 31.9418 178.2389 103 Y 4.2091 7.8114 116.8101 61.0077 37.7723 178.5066 104 L 4.2355 7.9363 119.5603 57.5514 41.9131 179.1288 105 E 4.0445 8.0379 118.9305 59.3324 29.3620 179.2361 106 F 4.5141 7.8916 117.9416 60.7930 38.8711 177.6101 107 I 3.8823 8.1834 118.1578 64.0295 37.7801 178.1181 108 S 4.2105 8.1457 115.8994 61.3679 62.5964 176.2400 109 E 4.0361 8.2625 121.7530 59.2513 29.4559 178.7428 110 A 4.0981 8.1113 120.8993 54.9524 18.3643 179.8073 111 I 3.7045 8.1789 118.8646 64.7688 37.2893 178.6906 112 I 3.8807 7.9515 120.6256 64.5299 36.8524 178.1217 113 H 4.1280 8.3886 119.2290 59.2379 29.7474 177.5925 114 V 3.5604 7.8570 120.0675 65.9358 31.2940 177.9335 115 L 3.7917 7.8332 118.7664 57.8209 41.0672 178.8637 116 H 4.2949 7.7557 116.9309 59.5720 29.9018 177.1907 117 S 4.1741 7.8364 115.3384 61.7416 62.7723 176.6407 118 R 4.0071 8.0890 119.6628 57.7407 31.2529 176.6764 119 H 5.0209 8.1481 115.1719 53.8089 29.1932 172.7426 120 P 4.2666 0.0000 0.0000 65.6891 31.9129 179.5340 121 G 3.7007 8.0897 106.3067 47.1689 0.0000 173.6107 122 N 4.9692 8.3798 115.5701 53.0214 39.7986 174.6152 123 F 4.9908 7.7857 119.3421 56.4643 39.4365 174.3943 124 G 3.9510 7.5133 109.5557 43.9294 0.0000 171.3865 125 A 3.8807 8.3780 120.6056 55.4202 18.4173 179.8228 126 D 4.2028 7.9585 116.7092 57.3400 40.8715 178.7277 127 A 3.9425 7.7492 120.9338 54.9845 18.4489 179.3202 128 Q 3.0596 7.8417 118.5650 58.8353 28.9613 178.5681 129 G 3.5736 8.0657 106.6486 47.7454 0.0000 175.5419 130 A 3.8374 8.0010 123.1712 54.9677 18.3207 179.3819 131 M 3.9769 8.2708 117.0663 58.7630 32.2699 177.8314 132 N 4.2824 8.6022 117.6241 56.6590 39.0215 176.6210 133 K 3.8172 8.2207 120.8488 59.5238 32.2094 178.6370 134 A 3.8023 8.0022 121.0252 55.0178 18.1982 179.5814 135 L 4.1454 8.2966 117.7132 57.6167 41.7037 179.5166 136 E 3.9859 8.5676 119.2804 59.0647 29.3785 178.8308 137 L 3.9348 8.2112 120.7512 58.2430 42.1317 178.5529 138 F 4.1469 8.4062 120.4796 61.7626 39.1468 177.4063 139 R 3.3941 8.3694 117.7512 58.9008 29.7885 178.9917 140 K 3.8596 8.1624 119.5101 59.2957 32.1828 178.6892 141 D 4.3811 8.0352 119.4131 56.9618 40.6530 178.8504 142 I 3.4990 7.5822 120.3904 64.1428 37.0592 178.1464 143 A 3.6653 7.8559 121.6300 55.1406 18.1009 179.5856 144 A 3.9770 7.9634 119.1837 55.0866 18.3323 180.1164 145 K 3.9839 8.0582 117.1706 59.6763 32.0602 178.8629 146 Y 4.3018 8.3936 117.4962 61.3708 37.9873 178.7941 147 K 3.8979 8.1642 120.0883 59.8713 31.9938 178.5928 148 E 4.0667 7.8562 117.3699 59.0528 29.5036 178.5346 149 L 4.3159 7.9306 116.9659 55.2978 41.9388 177.7335 150 G 4.0195 8.0682 107.3813 45.1023 0.0000 172.5466 151 Y 4.6924 7.7924 119.9242 56.8528 41.7669 177.6567 152 Q 2.5200 8.3370 121.7537 54.9723 29.6764 174.8325 153 G 3.5911 8.8938 116.1059 46.5139 0.0000 172.4904 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 0 M 8.30 4.44 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 1 V 7.85 4.21 2.10 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 0.87 0.00 0.00 0.95 0.00 0.00 2 L 8.33 4.23 0.00 1.12 0.74 0.58 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.60 4.58 0.00 4.07 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 4 E 8.78 4.30 0.00 2.20 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 2.52 0.00 5 G 8.13 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 6 E 8.00 3.88 0.00 1.91 1.72 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 2.22 2.26 0.00 7 W 7.94 4.50 0.00 3.54 3.17 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 8 Q 8.46 4.12 0.00 2.37 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.67 0.00 9 L 7.95 4.09 0.00 1.91 1.76 0.89 0.79 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 10 V 8.00 3.77 2.41 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 1.20 0.00 0.00 0.92 0.00 0.00 11 L 8.57 4.46 0.00 1.90 1.80 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.41 4.37 0.00 3.47 3.57 0.00 5.77 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 13 V 7.82 3.76 2.41 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 1.08 0.00 0.00 0.88 0.00 0.00 14 W 8.57 3.92 0.00 3.65 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 15 A 7.96 3.98 1.39 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 0.00 0.00 16 K 7.23 3.93 0.00 1.48 1.67 0.00 1.65 0.00 0.00 1.47 0.00 0.00 2.70 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.45 7.81 17 V 7.14 2.82 0.92 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 0.43 0.00 0.00 18 E 7.60 3.89 0.00 1.99 1.91 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 2.23 2.10 0.00 19 A 7.47 4.24 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 20 D 7.85 4.62 0.00 2.69 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 21 V 7.94 3.49 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 1.01 0.00 0.00 0.84 0.00 0.00 22 A 7.97 4.09 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 23 G 8.27 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.26 4.11 0.00 3.13 3.24 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.36 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 0.00 0.00 0.00 26 Q 8.24 3.87 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 27 D 8.02 4.35 0.00 2.84 2.68 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 28 I 7.76 3.65 1.92 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 1.53 0.65 0.90 0.00 0.00 29 L 7.75 3.48 0.00 1.48 1.20 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.73 3.73 1.88 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 1.41 0.63 0.89 0.00 0.00 31 R 8.03 3.84 0.00 1.84 2.11 0.00 2.94 0.00 0.00 2.95 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 32 L 7.86 3.87 0.00 1.70 1.35 1.05 1.18 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 33 F 7.82 4.61 0.00 3.10 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 34 K 8.32 4.09 0.00 1.65 1.84 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.73 7.81 35 S 8.06 4.32 0.00 3.80 3.56 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 36 H 8.51 4.63 0.00 2.96 2.82 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.56 0.00 2.16 2.10 0.00 3.83 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 38 E 8.21 4.28 0.00 2.30 2.30 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 2.29 2.52 0.00 39 T 8.20 3.87 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 0.77 0.00 0.00 40 L 8.06 3.82 0.00 1.30 1.74 0.13 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.09 4.15 0.00 2.29 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 2.37 2.38 0.00 42 K 8.19 4.39 0.00 1.88 1.69 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.73 1.93 7.81 43 F 8.10 4.35 0.00 2.99 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 0.00 0.00 0.00 44 D 8.39 4.38 0.00 2.59 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 45 R 7.64 4.37 0.00 1.95 1.99 0.00 3.73 0.00 0.00 3.61 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.88 0.00 46 F 7.63 4.96 0.00 2.59 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 47 K 7.37 4.69 0.00 1.83 1.96 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.64 7.81 48 H 8.18 4.27 0.00 3.26 3.50 0.00 5.54 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 49 L 7.36 3.91 0.00 1.53 1.56 0.75 0.64 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 50 K 9.19 4.31 0.00 1.79 1.83 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.54 7.81 51 T 7.29 4.72 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 52 E 8.58 3.97 0.00 2.04 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 2.35 2.35 0.00 53 A 7.88 3.96 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 54 E 7.93 3.94 0.00 2.18 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 2.33 2.33 0.00 55 M 8.12 4.12 0.00 2.05 2.24 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 2.69 2.53 0.00 56 K 8.15 3.96 0.00 1.90 1.84 0.00 1.54 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.44 1.45 7.81 57 A 7.46 4.46 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 58 S 7.54 4.44 0.00 3.79 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 59 E 8.67 4.07 0.00 2.11 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 2.38 2.46 0.00 60 D 7.98 4.44 0.00 2.90 3.13 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 0.00 0.00 0.00 61 L 7.55 3.04 0.00 0.76 1.27 0.73 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.77 3.90 0.00 1.77 1.88 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.44 7.81 63 K 8.21 4.10 0.00 2.08 1.91 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.68 7.81 64 G 8.41 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 65 G 8.33 3.62 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 0.00 0.00 0.00 66 V 7.83 3.61 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 1.12 0.00 0.00 0.96 0.00 0.00 67 T 8.26 3.90 4.53 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 68 A 8.26 4.13 1.48 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 0.00 0.00 69 L 8.30 4.16 0.00 1.79 1.91 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.29 3.97 4.47 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 1.26 0.00 0.00 71 A 8.10 4.03 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 72 L 8.20 3.71 0.00 1.61 1.77 0.27 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.56 3.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.73 4.10 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.27 3.85 1.84 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 1.54 0.77 0.88 0.00 0.00 76 L 7.72 4.02 0.00 1.28 1.59 -0.08 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.66 3.92 0.00 1.67 1.80 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.47 1.49 7.81 78 K 7.78 3.92 0.00 1.87 1.78 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.58 1.85 7.81 79 K 8.03 2.00 0.00 1.32 0.74 0.00 1.47 0.00 0.00 1.44 0.00 0.00 2.74 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.30 0.74 7.81 80 G 8.18 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.45 4.52 0.00 3.19 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.51 5.32 0.00 3.35 3.42 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.48 3.99 0.00 2.21 2.30 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 2.39 2.36 0.00 84 A 7.90 4.04 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 85 E 8.21 4.07 0.00 2.25 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 2.41 2.45 0.00 86 L 8.28 3.96 0.00 2.02 1.70 1.03 0.65 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 87 K 7.74 3.99 0.00 2.05 1.86 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.64 7.81 88 P 0.00 4.35 0.00 2.30 2.33 0.00 3.83 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 2.23 2.04 0.00 89 L 7.51 4.03 0.00 1.90 1.93 0.88 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.44 4.24 1.50 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 0.00 0.00 91 Q 8.23 3.84 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 92 S 8.28 4.03 0.00 3.96 4.10 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 93 H 8.48 4.15 0.00 3.61 3.61 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.14 2.68 0.49 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 95 T 7.40 3.93 4.15 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 0.00 0.00 0.00 1.10 0.00 0.00 96 K 7.49 4.02 0.00 1.51 1.72 0.00 1.54 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.23 1.16 7.81 97 H 7.86 4.38 0.00 3.00 3.13 0.00 5.83 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.41 3.45 0.00 1.81 1.84 0.00 1.68 0.00 0.00 2.29 0.00 0.00 3.00 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.25 1.36 7.81 99 I 8.05 4.38 2.10 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 0.92 1.13 0.00 0.00 100 P 0.00 4.69 0.00 1.91 1.95 0.00 3.14 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 0.49 1.36 0.00 101 I 8.25 3.59 1.77 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.65 0.78 0.00 0.00 102 K 7.91 3.65 0.00 1.70 1.63 0.00 1.24 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 0.60 7.81 103 Y 7.81 4.21 0.00 3.19 3.08 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 0.00 104 L 7.94 4.24 0.00 1.79 1.77 0.68 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.04 4.04 0.00 2.07 2.01 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 2.32 2.29 0.00 106 F 7.89 4.51 0.00 3.18 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 0.00 107 I 8.18 3.88 2.02 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 1.09 0.00 0.00 108 S 8.15 4.21 0.00 4.22 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 0.00 109 E 8.26 4.04 0.00 2.34 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 0.00 2.39 2.41 0.00 110 A 8.11 4.10 1.42 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 0.00 111 I 8.18 3.70 2.14 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.85 1.04 0.00 0.00 112 I 7.95 3.88 2.13 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.17 1.12 0.00 0.00 113 H 8.39 4.13 0.00 3.44 3.52 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.86 3.56 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 0.96 0.00 0.00 1.02 0.00 0.00 115 L 7.83 3.79 0.00 0.37 0.65 0.79 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.76 4.29 0.00 3.52 3.63 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.84 4.17 0.00 3.80 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 0.00 118 R 8.09 4.01 0.00 1.55 1.53 0.00 2.81 0.00 0.00 3.00 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 119 H 8.15 5.02 0.00 3.19 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.27 0.00 2.21 2.26 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 121 G 8.09 3.70 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 0.00 0.00 0.00 122 N 8.38 4.97 0.00 2.77 2.95 0.00 0.00 6.67 8.28 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 0.00 123 F 7.79 4.99 0.00 2.91 2.97 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 0.00 124 G 7.51 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 0.00 125 A 8.38 3.88 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 0.00 126 D 7.96 4.20 0.00 2.65 2.68 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 0.00 127 A 7.75 3.94 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 0.00 128 Q 7.84 3.06 0.00 1.14 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 129 G 8.07 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.00 3.84 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 0.00 131 M 8.27 3.98 0.00 2.37 2.38 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.95 0.00 132 N 8.60 4.28 0.00 2.84 2.92 0.00 0.00 6.88 6.66 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 0.00 133 K 8.22 3.82 0.00 1.93 1.76 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.37 7.81 134 A 8.00 3.80 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 0.00 135 L 8.30 4.15 0.00 1.76 1.83 1.01 1.14 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 0.00 136 E 8.57 3.99 0.00 2.12 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 2.34 2.60 0.00 137 L 8.21 3.93 0.00 1.84 1.96 1.03 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.41 4.15 0.00 3.08 3.22 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 0.00 139 R 8.37 3.39 0.00 1.92 1.82 0.00 3.13 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.92 0.00 140 K 8.16 3.86 0.00 1.78 1.96 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.43 7.81 141 D 8.04 4.38 0.00 2.89 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 0.00 142 I 7.58 3.50 1.25 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 1.09 -0.04 0.18 0.00 0.00 143 A 7.86 3.67 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 0.00 144 A 7.96 3.98 1.38 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 0.00 0.00 0.00 145 K 8.06 3.98 0.00 2.08 1.94 0.00 1.59 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.55 7.81 146 Y 8.39 4.30 0.00 3.23 3.22 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 0.00 147 K 8.16 3.90 0.00 1.90 1.93 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.44 7.81 148 E 7.86 4.07 0.00 2.16 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 2.36 2.50 0.00 149 L 7.93 4.32 0.00 1.76 1.68 0.94 1.01 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 0.00 150 G 8.07 4.02 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 0.00 151 Y 7.79 4.69 0.00 2.51 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 0.00 152 Q 8.34 2.52 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 1.31 1.16 0.00 153 G 8.89 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