NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4463 8.3049 120.3493 54.8764 33.5761 175.0353 2 E 4.0737 8.5499 124.6623 56.1966 30.7337 174.3340 3 L 5.1789 8.6300 122.3585 53.5499 45.9786 175.6476 4 T 4.9805 9.0233 117.4361 60.9363 70.8844 172.2300 5 T 5.3122 8.5269 108.5410 60.4229 72.3789 173.1613 6 R 4.7253 8.8063 121.4558 55.1318 34.2376 173.6248 7 T 4.9509 8.3825 121.1565 61.7472 70.4287 174.1892 8 L 4.3204 9.3677 129.1237 53.5121 42.5681 175.6177 9 P 4.6061 0.0000 0.0000 62.2487 32.1697 176.2452 10 A 4.0054 8.6362 122.6694 55.2960 18.2595 178.5612 11 R 4.2420 7.5954 116.9011 54.7335 29.4232 176.3455 12 K 4.2144 8.3597 122.6883 56.6393 33.8337 176.2758 13 H 5.2758 9.7865 121.4266 54.8992 29.8810 173.8644 14 I 4.9759 9.0335 125.5698 59.5650 39.3515 174.7930 15 A 5.1317 9.1207 129.4701 50.4174 21.1126 175.5430 16 L 5.0199 9.0535 122.8952 52.9104 44.5706 175.9171 17 V 4.5787 9.0029 123.7184 61.1071 35.1371 174.0315 18 A 5.3760 8.3258 127.7735 50.8630 22.3540 175.8764 19 H 4.6371 9.4787 119.4302 55.7674 30.1436 176.3643 20 D 4.4715 9.2519 120.6710 58.4573 40.5191 179.3414 21 H 4.3678 8.4222 113.1536 57.6778 29.0292 176.2097 22 C 4.7019 8.1634 117.8239 59.3917 28.7967 175.5319 23 K 4.0844 8.1238 124.1942 60.4143 31.6556 179.7120 24 Q 4.1906 8.1110 120.3425 60.2091 28.1232 179.9669 25 M 4.3203 7.9750 118.9507 58.6294 32.2988 178.0300 26 L 4.2291 8.3815 120.6853 58.3777 42.2992 178.5112 27 M 4.1023 8.5463 119.1512 58.7953 32.0239 178.5834 28 S 4.1404 8.3470 112.9855 61.3387 62.3299 176.0990 29 W 4.1798 8.2532 130.5383 60.4210 30.2619 178.2300 30 V 3.5183 8.2700 117.7444 66.0439 31.1773 177.6053 31 E 4.0627 8.3975 118.4747 59.3547 29.0594 179.2992 32 R 3.8431 7.7375 117.8382 58.6260 30.2098 176.7940 33 H 4.6809 7.0672 114.2397 55.3837 29.4238 175.6980 34 Q 3.9013 7.7130 123.4573 59.2672 28.4380 177.0543 35 P 4.3429 0.0000 0.0000 65.2978 31.5735 178.0025 36 L 4.2020 7.6074 118.5000 58.0063 42.3846 178.6589 37 L 4.1978 8.2565 119.1315 57.7512 41.2648 179.2582 38 E 4.1252 8.2762 117.7426 58.6832 29.4190 178.2208 39 Q 4.3145 7.9362 116.1841 56.0858 29.2486 174.2103 40 H 4.9960 7.9158 116.6330 53.7983 33.0734 172.7786 41 V 4.1937 8.5103 119.2233 61.8723 32.7384 174.5741 42 L 5.2702 8.3629 127.7471 53.7153 43.9687 175.1638 43 Y 5.2122 8.9939 119.3408 56.7450 42.6696 173.9956 44 A 5.0842 8.7899 121.3588 52.1858 23.5395 175.9924 45 T 3.9800 8.6193 109.5522 61.6651 70.4411 175.4599 46 G 3.7803 8.8289 108.2567 49.3522 0.0000 176.4168 47 T 3.8301 7.9537 115.7831 66.1059 68.9700 176.5859 48 T 4.0251 8.1223 117.1673 66.8880 68.4799 176.2323 49 G 3.6844 8.4639 107.4946 48.1899 0.0000 175.3381 50 N 4.3674 8.0407 119.1513 55.7998 38.0711 177.5717 51 L 4.0461 8.1169 120.3061 57.6653 41.5774 179.7856 52 I 3.7919 7.7702 119.8864 64.4507 37.1360 178.5302 53 S 4.4775 8.0807 118.9001 61.7120 62.5106 177.2176 54 R 3.9982 8.1348 122.5348 60.0521 29.2391 179.8353 55 A 4.7313 7.4812 116.8350 53.3368 20.0320 178.0722 56 T 4.4527 8.2896 106.1954 60.7532 70.4343 175.6890 57 G 3.9632 8.3955 109.5303 45.6692 0.0000 173.9198 58 M 4.2023 7.6253 119.7606 54.9358 32.6021 174.9822 59 N 4.5597 8.4735 120.4839 53.1160 39.7658 174.4113 60 V 4.4140 8.0431 124.7852 61.1519 34.6702 174.9862 61 N 4.6028 8.8603 125.7968 52.4890 38.4723 173.3800 62 A 4.7158 8.3178 125.6963 51.9539 19.8503 176.8815 63 M 4.5439 9.2002 124.3303 53.9225 35.5022 175.7323 64 L 4.3914 8.8247 119.3507 54.8391 43.3113 177.0416 65 S 4.3988 8.6726 115.3409 58.4408 63.3742 174.6692 66 G 3.9408 9.1754 115.1918 48.6720 0.0000 173.7570 67 P 4.2152 0.0000 0.0000 65.0909 31.3995 177.3229 68 M 4.2585 8.0900 114.5689 55.1725 32.4213 175.6047 69 G 3.6234 8.2357 108.3795 45.2071 0.0000 176.3059 70 G 3.6968 8.6051 108.9183 48.1086 0.0000 175.5043 71 D 4.2455 8.0089 120.6186 57.3220 40.8652 178.8476 72 Q 3.9802 7.9687 117.9158 58.7595 28.8198 178.4348 73 Q 3.9735 8.0922 119.3876 58.8774 28.6469 178.9975 74 V 3.5972 7.8138 119.4680 65.7361 31.5548 178.2585 75 G 3.5582 8.1712 105.4623 47.6669 0.0000 175.3660 76 A 3.8989 8.2665 123.7408 54.9393 18.3753 179.5945 77 L 3.7605 7.7614 117.3155 57.9201 41.5372 179.9400 78 I 3.4991 7.7585 119.9079 64.4050 36.8916 178.7039 79 S 2.7900 7.5448 113.3406 60.5547 62.7037 175.3804 80 E 3.9767 7.4255 119.5499 55.6564 29.3507 177.0490 81 G 3.6682 7.3728 107.3241 46.1393 0.0000 174.7477 82 K 4.1532 7.9829 118.0119 55.8787 32.7600 176.6235 83 I 4.3612 7.2910 119.6296 59.4903 39.6850 174.6800 84 D 4.8449 8.9873 124.5980 54.8207 42.7602 177.0789 85 V 4.7006 7.6171 117.5267 60.9871 35.5601 173.4469 86 L 5.1072 8.8578 129.2183 53.3728 44.8666 174.8915 87 I 4.6323 8.8533 127.9269 59.6667 39.5276 174.7171 88 F 5.4591 9.3935 131.0082 56.6613 41.6952 173.4796 89 F 5.3292 9.3944 127.0546 56.1121 38.3496 175.3431 90 W 4.4946 7.8265 120.0900 54.7890 30.1909 175.8227 91 D 4.3838 8.9009 121.3299 53.0484 40.5554 174.3517 92 P 4.3145 0.0000 0.0000 63.4205 31.7922 176.4005 93 L 4.7620 8.2128 118.1524 54.2859 42.4662 175.7761 94 N 4.8919 7.8853 115.0982 51.6968 42.4627 173.9798 95 A 4.3572 8.5712 126.1179 51.7329 19.5164 176.9755 96 V 4.5844 7.9622 114.8674 58.6939 35.2772 174.4045 97 P 4.4217 0.0000 0.0000 65.7588 31.5847 177.6395 98 Q 4.6004 7.8571 116.3418 56.2102 29.9933 177.6499 99 D 4.3636 7.9742 122.0884 56.9830 41.2187 175.5587 100 P 4.2537 0.0000 0.0000 66.0337 31.2630 178.1163 101 D 4.3248 8.0656 118.1852 56.9187 40.7574 178.7107 102 V 3.7870 7.7418 118.7289 66.2167 31.6360 178.3624 103 K 3.8649 8.0562 117.8842 59.2761 31.8164 179.2992 104 A 4.0389 8.2694 121.4167 54.7091 18.2770 179.5408 105 L 3.8702 8.0987 119.0230 58.4660 42.4013 179.3082 106 L 4.1282 8.0311 118.8803 57.4540 41.4020 179.5858 107 R 3.8682 8.0358 118.9646 59.5184 30.0089 178.6497 108 L 4.0737 7.9826 118.5635 57.7278 41.0751 179.3813 109 A 4.0987 8.2381 120.7877 55.1878 18.1132 179.9715 110 T 3.8930 7.7643 114.1965 66.6925 68.3784 177.2076 111 V 3.3437 7.6309 119.3333 65.8010 31.5043 176.7854 112 W 4.3002 8.3173 116.3463 56.0734 29.3041 175.6720 113 N 4.1524 7.6413 116.5324 54.8986 37.0878 173.1211 114 I 4.7044 7.1952 109.2120 58.2263 41.1315 175.3549 115 P 4.4790 0.0000 0.0000 63.1928 32.2924 175.4989 116 V 5.0673 8.4554 122.7832 61.1159 34.8096 174.1614 117 A 4.9613 9.1671 128.7971 50.5017 21.6859 176.4757 118 T 5.3249 9.1714 110.4084 60.8001 70.3375 173.7524 119 N 4.3407 7.4982 119.4578 50.1818 41.8589 175.1363 120 V 3.4266 7.5916 118.8869 65.8919 31.5451 177.5838 121 A 4.1096 7.8279 120.0164 55.5926 18.2898 179.6290 122 T 3.7814 7.8112 113.4761 66.6158 68.6196 176.5772 123 A 4.0169 7.9574 122.6459 55.3959 18.3497 179.4142 124 D 4.5570 8.8501 117.7540 57.7470 40.7202 179.0523 125 F 3.9409 8.4013 117.2143 60.4387 39.1674 177.6495 126 I 3.9870 8.1588 119.7199 64.4889 36.8387 178.6456 127 I 2.3206 7.3532 112.0734 63.0788 37.3709 177.3518 128 Q 4.1398 7.5042 117.4186 55.6634 29.4349 176.1093 129 S 4.2575 7.5656 116.9471 57.1569 63.1243 172.7651 130 P 4.2211 0.0000 0.0000 66.4482 30.8174 176.5717 131 H 4.8238 8.0877 113.6926 55.5747 28.6837 176.7463 132 F 4.1256 8.4549 124.5340 60.6409 39.2478 175.6852 133 N 4.8419 8.2585 114.9190 52.9050 38.8222 173.5117 134 D 5.1528 7.4541 117.8306 52.0551 44.2579 175.5190 135 A 5.0198 8.2969 121.7167 51.5444 19.3680 177.5189 136 V 4.5078 8.0840 114.0197 59.7420 36.4129 174.3836 137 D 5.2651 8.6970 123.6115 53.9735 42.0955 175.7720 138 I 4.7816 8.7701 114.5749 59.0854 41.4979 174.1742 139 L 4.9864 8.5375 123.8779 54.4474 42.6121 176.1695 140 I 4.8999 8.7961 116.3688 58.0668 41.5454 172.8963 141 P 4.5413 0.0000 0.0000 62.9828 32.2607 176.7177 142 D 4.6687 9.0706 122.4061 53.2021 40.7954 176.5242 143 Y 4.2411 8.7270 130.1362 61.3104 38.9951 177.8968 144 Q 4.0474 8.5350 123.5404 61.2828 28.2403 181.6332 145 R 4.1342 8.1051 122.2530 61.1666 29.2266 180.1150 146 Y 4.1759 8.0475 120.1097 60.5686 38.8222 178.0234 147 L 3.5941 8.3736 121.4799 57.7440 41.9098 178.4777 148 A 3.9241 7.8977 120.2195 55.4438 18.5869 179.0558 149 D 4.3518 7.8083 116.6958 57.5266 40.6323 179.1519 150 R 3.8105 7.1270 117.5789 58.6264 30.0690 178.0930 151 L 4.4497 7.2865 115.6822 54.2436 41.9533 176.5945 152 K 4.0853 7.7399 126.3325 56.6462 32.1268 176.4133 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 4.45 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.57 0.00 2 E 8.55 4.07 0.00 2.04 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 2.41 2.36 0.00 3 L 8.63 5.18 0.00 1.47 1.52 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 4 T 9.02 4.98 4.29 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 1.30 0.00 0.00 5 T 8.53 5.31 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 1.23 0.00 0.00 6 R 8.81 4.73 0.00 1.93 1.78 0.00 3.02 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 7 T 8.38 4.95 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 8 L 9.37 4.32 0.00 1.71 1.56 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.61 0.00 2.14 2.05 0.00 3.77 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 2.03 1.99 0.00 10 A 8.64 4.01 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 11 R 7.60 4.24 0.00 1.75 1.86 0.00 3.17 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 12 K 8.36 4.21 0.00 1.40 1.56 0.00 1.47 0.00 0.00 1.81 0.00 0.00 2.52 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.23 0.47 7.81 13 H 9.79 5.28 0.00 3.07 3.19 0.00 5.59 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 9.03 4.98 2.03 0.00 0.00 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 1.30 1.04 1.08 0.00 0.00 15 A 9.12 5.13 1.18 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 0.00 0.00 16 L 9.05 5.02 0.00 1.58 1.56 1.03 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 17 V 9.00 4.58 1.66 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 0.72 0.00 0.00 0.68 0.00 0.00 18 A 8.33 5.38 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 19 H 9.48 4.64 0.00 3.24 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 9.25 4.47 0.00 2.76 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 21 H 8.42 4.37 0.00 3.30 3.39 0.00 5.86 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.16 4.70 0.00 3.26 3.07 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 0.00 0.00 0.00 23 K 8.12 4.08 0.00 2.01 1.93 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.75 7.81 24 Q 8.11 4.19 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.91 0.00 0.00 0.00 0.00 0.00 2.36 1.98 0.00 25 M 7.97 4.32 0.00 2.37 2.12 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 26 L 8.38 4.23 0.00 1.90 1.89 0.30 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 27 M 8.55 4.10 0.00 2.09 2.35 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 2.68 3.02 0.00 28 S 8.35 4.14 0.00 3.96 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 0.00 29 W 8.25 4.18 0.00 3.77 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 30 V 8.27 3.52 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 0.93 0.00 0.00 1.23 0.00 0.00 31 E 8.40 4.06 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 2.33 2.60 0.00 32 R 7.74 3.84 0.00 1.69 1.77 0.00 3.10 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.45 0.00 33 H 7.07 4.68 0.00 2.55 2.85 0.00 5.89 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.71 3.90 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.05 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 35 P 0.00 4.34 0.00 2.03 2.09 0.00 3.60 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.12 0.00 36 L 7.61 4.20 0.00 1.69 1.78 0.85 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.26 4.20 0.00 1.69 1.76 0.79 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.28 4.13 0.00 1.93 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 2.34 2.62 0.00 39 Q 7.94 4.31 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 40 H 7.92 5.00 0.00 3.09 3.46 0.00 5.64 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.51 4.19 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 0.99 0.00 0.00 0.93 0.00 0.00 42 L 8.36 5.27 0.00 1.61 1.59 0.96 0.93 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 43 Y 8.99 5.21 0.00 2.85 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 44 A 8.79 5.08 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 45 T 8.62 3.98 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 1.14 0.00 0.00 46 G 8.83 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 0.00 0.00 0.00 0.00 47 T 7.95 3.83 4.28 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 1.24 0.00 0.00 48 T 8.12 4.03 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 1.28 0.00 0.00 49 G 8.46 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 50 N 8.04 4.37 0.00 2.79 2.89 0.00 0.00 7.14 6.24 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 51 L 8.12 4.05 0.00 1.88 1.75 0.95 0.67 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 52 I 7.77 3.79 2.03 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 1.63 0.86 0.94 0.00 0.00 53 S 8.08 4.48 0.00 4.07 4.16 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 54 R 8.13 4.00 0.00 1.95 1.89 0.00 3.25 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 55 A 7.48 4.73 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 56 T 8.29 4.45 4.36 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 1.26 0.00 0.00 57 G 8.40 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 58 M 7.63 4.20 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 59 N 8.47 4.56 0.00 2.63 2.68 0.00 0.00 6.72 7.71 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 60 V 8.04 4.41 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 0.87 0.00 0.00 0.99 0.00 0.00 61 N 8.86 4.60 0.00 2.11 2.64 0.00 0.00 6.54 8.36 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 62 A 8.32 4.72 1.22 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 0.00 0.00 63 M 9.20 4.54 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.81 0.00 64 L 8.82 4.39 0.00 1.74 1.59 nan 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.67 4.40 0.00 3.92 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 66 G 9.18 3.94 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 0.00 0.00 0.00 67 P 0.00 4.22 0.00 2.07 2.16 0.00 3.64 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 2.06 2.16 0.00 68 M 8.09 4.26 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 69 G 8.24 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 70 G 8.61 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 71 D 8.01 4.25 0.00 2.70 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.97 3.98 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 73 Q 8.09 3.97 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 74 V 7.81 3.60 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 0.96 0.00 0.00 0.92 0.00 0.00 75 G 8.17 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 0.00 0.00 0.00 76 A 8.27 3.90 1.29 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 0.00 0.00 77 L 7.76 3.76 0.00 1.68 1.48 0.73 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.76 3.50 1.94 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 1.49 0.77 0.90 0.00 0.00 79 S 7.54 2.79 0.00 3.72 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 80 E 7.43 3.98 0.00 1.94 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 2.13 2.16 0.00 81 G 7.37 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.98 4.15 0.00 1.62 1.57 0.00 1.50 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.25 1.22 7.81 83 I 7.29 4.36 1.72 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.66 0.83 0.00 0.00 84 D 8.99 4.84 0.00 2.49 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 85 V 7.62 4.70 2.21 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 1.19 0.00 0.00 1.01 0.00 0.00 86 L 8.86 5.11 0.00 1.81 1.53 0.86 1.05 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 87 I 8.85 4.63 1.63 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 1.11 0.71 -0.03 0.00 0.00 88 F 9.39 5.46 0.00 2.99 2.96 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 89 F 9.39 5.33 0.00 2.97 2.83 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 90 W 7.83 4.49 0.00 3.00 1.85 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 91 D 8.90 4.38 0.00 2.79 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 92 P 0.00 4.31 0.00 1.89 1.22 0.00 3.46 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.53 0.00 93 L 8.21 4.76 0.00 1.64 1.61 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 94 N 7.89 4.89 0.00 2.78 2.64 0.00 0.00 7.05 7.35 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 95 A 8.57 4.36 1.26 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 0.00 0.00 0.00 96 V 7.96 4.58 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 0.72 0.00 0.00 0.98 0.00 0.00 97 P 0.00 4.42 0.00 2.19 2.10 0.00 3.59 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 98 Q 7.86 4.60 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.89 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 99 D 7.97 4.36 0.00 2.95 2.66 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 0.00 0.00 0.00 0.00 100 P 0.00 4.25 0.00 2.30 2.28 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 101 D 8.07 4.32 0.00 2.97 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 0.00 102 V 7.74 3.79 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 0.66 0.00 0.00 1.21 0.00 0.00 103 K 8.06 3.86 0.00 1.95 1.77 0.00 1.28 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.35 1.34 7.81 104 A 8.27 4.04 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 0.00 105 L 8.10 3.87 0.00 1.84 1.96 0.86 0.09 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 0.00 106 L 8.03 4.13 0.00 1.69 1.70 0.50 1.00 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 0.00 107 R 8.04 3.87 0.00 2.04 2.08 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 108 L 7.98 4.07 0.00 1.95 1.86 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.24 4.10 1.44 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 0.00 110 T 7.76 3.89 4.44 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 1.19 0.00 0.00 111 V 7.63 3.34 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 0.00 0.00 0.84 0.00 0.00 112 W 8.32 4.30 0.00 3.43 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 0.00 113 N 7.64 4.15 0.00 2.73 2.95 0.00 0.00 6.93 9.19 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 0.00 114 I 7.20 4.70 2.15 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 1.31 0.89 0.97 0.00 0.00 115 P 0.00 4.48 0.00 2.23 2.15 0.00 3.87 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 116 V 8.46 5.07 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 1.04 0.00 0.00 117 A 9.17 4.96 1.26 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 0.00 0.00 0.00 118 T 9.17 5.32 4.36 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 1.48 0.00 0.00 119 N 7.50 4.34 0.00 2.58 2.60 0.00 0.00 5.87 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 0.00 120 V 7.59 3.43 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 1.25 0.00 0.00 0.72 0.00 0.00 121 A 7.83 4.11 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 0.00 122 T 7.81 3.78 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 1.23 0.00 0.00 123 A 7.96 4.02 1.01 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 0.00 0.00 124 D 8.85 4.56 0.00 3.06 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 0.00 125 F 8.40 3.94 0.00 3.24 3.21 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 0.00 126 I 8.16 3.99 2.07 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 1.70 0.95 1.08 0.00 0.00 127 I 7.35 2.32 1.28 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.35 0.37 0.00 0.00 128 Q 7.50 4.14 0.00 1.90 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 129 S 7.57 4.26 0.00 4.19 3.87 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 0.00 130 P 0.00 4.22 0.00 2.06 2.15 0.00 3.82 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 1.88 1.96 0.00 131 H 8.09 4.82 0.00 3.28 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 8.45 4.13 0.00 3.25 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 0.00 133 N 8.26 4.84 0.00 2.81 2.86 0.00 0.00 6.73 8.06 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 0.00 134 D 7.45 5.15 0.00 2.56 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 0.00 135 A 8.30 5.02 1.23 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 0.00 136 V 8.08 4.51 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 0.76 0.00 0.00 0.94 0.00 0.00 137 D 8.70 5.27 0.00 2.54 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 0.00 138 I 8.77 4.78 1.91 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 1.37 0.87 0.95 0.00 0.00 139 L 8.54 4.99 0.00 1.57 1.65 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.80 4.90 2.14 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.10 1.13 0.00 0.00 141 P 0.00 4.54 0.00 1.76 1.77 0.00 3.48 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.98 0.00 142 D 9.07 4.67 0.00 2.75 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 Y 8.73 4.24 0.00 3.37 3.15 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 0.00 144 Q 8.53 4.05 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.02 0.00 145 R 8.11 4.13 0.00 1.82 1.97 0.00 3.24 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 146 Y 8.05 4.18 0.00 3.08 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 0.00 147 L 8.37 3.59 0.00 1.10 1.45 0.88 1.29 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 0.00 148 A 7.90 3.92 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 0.00 149 D 7.81 4.35 0.00 2.78 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 0.00 150 R 7.13 3.81 0.00 1.74 1.83 0.00 3.07 0.00 0.00 2.79 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.22 0.00 151 L 7.29 4.45 0.00 1.57 1.64 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 152 K 7.74 4.09 0.00 1.81 1.83 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.35 7.81