NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3872 8.3149 120.1415 56.1410 33.8560 175.6632 4 Q 4.2476 8.2423 117.4192 55.2120 29.6981 170.4562 5 V 4.5681 9.6222 124.2984 61.5394 34.2643 173.8874 6 E 4.8924 9.1531 127.5628 54.6590 31.9433 174.9674 7 I 4.9655 8.2379 124.9060 59.3851 41.0897 174.5095 8 F 5.4294 9.3416 124.6139 55.9423 42.1459 174.2207 9 T 5.4226 8.9429 113.1390 60.2555 71.9132 173.0589 10 A 4.8417 9.0989 123.2481 50.9773 23.0824 175.3959 11 G 4.6234 8.6033 105.7930 44.9124 0.0000 171.9045 12 S 5.1385 9.1710 113.3672 57.5391 66.2551 172.9891 13 A 5.0806 8.3948 126.0574 50.5405 22.0506 175.7573 14 L 4.4361 9.2550 120.1815 54.6777 42.5219 176.3860 15 G 4.0523 7.3656 106.8746 45.3601 0.0000 172.1074 16 N 5.0180 8.4677 115.4215 52.7126 39.2734 171.8861 17 P 4.9429 0.0000 0.0000 61.4177 34.5901 174.7508 18 G 4.0792 8.3511 106.7724 45.0888 0.0000 170.4003 19 P 4.9799 0.0000 0.0000 62.5629 32.6161 176.2269 20 G 4.3700 9.2671 109.8181 45.8084 0.0000 171.2166 21 G 4.7263 9.2560 106.7049 45.5835 0.0000 171.6562 22 Y 5.5725 8.4800 117.5172 55.0438 41.9708 174.7775 23 G 4.6933 9.4016 106.8284 44.6543 0.0000 171.4627 24 A 5.5230 9.5883 125.3369 50.2919 23.1718 174.8128 25 I 5.0169 9.2289 122.5040 59.3651 40.7346 174.3198 26 L 5.2012 9.4559 128.9745 53.2479 44.8368 174.7836 27 R 5.2574 9.4418 126.9034 54.7979 33.1143 173.7737 28 Y 4.9660 9.3282 126.9019 56.8766 42.6841 174.6437 29 R 3.5407 9.0656 126.7108 57.2066 28.5244 176.1346 30 G 4.0943 8.1596 105.7494 45.3525 0.0000 173.7639 31 R 4.5971 7.7491 117.9016 54.7855 31.9756 174.8142 32 E 5.5069 8.4338 118.3617 54.5002 33.2685 175.5110 33 K 4.6588 9.2116 121.2080 55.4283 36.0918 175.1456 34 T 5.1307 8.1146 117.7720 61.8680 72.0747 173.2775 35 F 5.0180 9.1700 122.8559 56.0438 43.1655 173.9692 36 S 5.0043 8.9971 114.7958 58.2400 65.2884 173.3904 37 A 4.4490 7.0648 126.5923 50.5604 22.6580 174.9374 38 G 4.4079 8.3844 106.4165 44.5401 0.0000 171.5401 39 Y 5.2674 9.1519 120.1883 56.0084 40.6783 177.1080 40 T 3.9332 9.0307 113.7866 64.3262 70.4274 173.9893 41 R 4.3855 7.8404 121.6906 55.8902 32.3131 173.4502 42 T 4.2092 8.4407 122.5087 61.6259 71.2017 171.9989 43 T 4.8472 8.0712 109.3418 58.9563 72.1283 174.0121 44 N 4.2219 8.8143 120.3062 57.2652 38.8356 176.7871 45 N 4.2315 7.9455 117.0981 56.3304 38.5052 177.5174 46 R 3.9189 7.9212 119.5100 59.4341 30.0852 179.0312 47 M 4.1778 8.0905 118.6376 58.1942 32.0732 178.6089 48 E 4.0619 8.5059 119.1630 59.2881 29.5487 179.4225 49 L 3.9404 7.8939 118.9756 58.0303 41.6359 179.1008 50 M 3.7614 8.3039 118.2922 58.4991 32.0666 178.0026 51 A 3.5937 8.0913 120.6458 55.0571 18.5944 179.5395 52 A 3.9388 7.6121 117.9338 55.1718 18.4329 179.8111 53 I 3.5746 7.8152 118.5169 64.6339 37.1052 178.8489 54 V 3.3424 7.6854 118.8707 65.6949 31.0445 177.8831 55 A 3.5458 7.3628 119.3373 55.0981 18.5493 179.3569 56 L 3.9403 7.8228 117.4689 57.8894 41.4820 179.5730 57 E 4.0256 8.3064 117.4684 58.7156 29.4119 178.6396 58 A 4.2078 7.2695 119.7861 52.6149 18.5825 177.3520 59 L 4.0395 7.1930 118.5978 54.3886 41.8662 176.8945 60 K 4.3640 8.5266 123.9782 56.3981 32.9069 175.6329 61 E 4.6659 7.5309 115.8839 54.9734 33.4329 174.6956 62 H 4.4481 8.5171 118.6401 56.5095 29.3671 174.4890 63 A 4.7572 8.7568 122.7213 50.3382 23.6873 174.2841 64 E 4.7049 8.5959 118.3623 55.3404 31.0465 175.7612 65 V 4.7075 8.7213 125.2195 60.9276 35.0074 174.3990 66 I 4.5165 8.5070 128.3103 59.6024 39.3727 174.4024 67 L 4.4871 8.2885 131.2818 53.2211 43.7962 174.8732 68 S 5.1215 8.6184 122.8520 57.0716 64.1372 172.7535 69 T 5.3155 8.9191 120.9844 60.8845 71.0592 173.4285 70 D 5.5371 8.7818 124.6302 52.6411 40.1903 176.6872 71 S 4.3407 7.9668 115.7179 58.4211 63.0700 174.3685 72 Q 3.8616 8.7807 130.7261 59.1923 28.9150 177.2873 73 Y 4.2294 8.0514 120.2204 60.7933 38.9047 178.0707 74 V 3.6824 8.0672 119.1602 65.9110 31.5639 177.8533 75 R 2.0000 7.4341 118.2995 58.8715 29.6211 178.5472 76 Q 3.0942 7.7616 118.1986 58.1749 28.2894 178.9592 77 G 2.7658 7.4016 106.6391 47.5668 0.0000 175.8525 78 I 3.5234 7.3086 121.9639 63.6791 37.2180 178.0808 79 T 4.1467 7.2996 108.1493 62.3307 69.2260 175.3349 80 Q 4.1672 7.4744 119.0950 56.0506 31.2832 176.8199 81 W 3.9043 6.7635 116.1051 57.6509 30.0870 178.0828 82 I 3.2086 7.0648 119.1030 64.1583 37.3112 177.6678 83 H 4.1056 7.7004 115.4308 58.7112 28.3772 177.2383 84 N 4.2275 7.3865 118.6837 55.6074 38.4168 177.1936 85 W 4.1348 7.7312 120.6278 59.6898 29.0570 178.6717 86 K 3.4937 7.5781 118.2792 59.2079 31.2088 179.5491 87 K 4.0022 7.5426 117.5160 59.0020 31.8810 178.5508 88 R 4.4726 7.8464 116.6903 55.1800 29.8978 176.9502 89 G 4.4372 8.1167 106.1520 46.4699 0.0000 174.0151 90 W 3.4616 8.4338 116.3870 57.3330 27.1413 174.4040 91 K 4.9651 7.4481 115.0923 54.6911 35.5095 177.0906 92 T 4.2659 8.3810 112.4756 60.3867 70.3907 175.2949 93 A 3.9140 8.4551 123.6006 55.2681 18.2920 178.0759 94 D 4.5345 7.9967 112.6151 53.2431 39.6837 176.7982 95 K 3.9079 8.1118 117.7743 57.3084 30.2311 175.8875 96 K 4.3701 7.8234 118.4999 54.6188 33.1162 174.6089 97 P 4.6913 0.0000 0.0000 62.7656 32.1833 176.4868 98 V 3.3933 8.3687 123.1700 62.7609 32.5891 175.2275 99 K 4.0574 8.3917 128.2714 57.3428 32.8306 175.9620 100 N 4.4819 9.0819 123.5639 54.4738 36.1759 176.7674 101 V 3.6773 7.6606 121.1554 64.8877 30.7667 177.0323 102 D 4.2293 8.0288 119.2368 56.5585 39.0227 178.6289 103 L 3.9836 7.7608 120.0110 56.7730 41.7109 179.1845 104 W 4.4709 8.3524 119.1991 60.0398 29.0588 178.6170 105 Q 3.8213 8.2469 118.2712 58.7698 28.0201 178.6900 106 R 3.8984 7.9468 119.8626 59.1625 30.0984 178.3653 107 L 3.9892 8.3913 120.7217 58.2154 41.9176 178.4129 108 D 4.5400 8.4366 116.9450 57.3939 41.4749 177.8187 109 A 4.1626 8.3013 121.1650 55.0739 18.1907 179.4925 110 A 4.0517 8.0449 118.2934 54.9913 18.6671 179.4581 111 L 4.1408 8.3355 118.0571 56.0849 41.8239 178.7473 112 G 3.6836 8.1921 107.5134 47.4237 0.0000 173.7483 113 Q 4.5512 8.3041 122.7941 55.6901 29.4142 174.8855 114 H 4.4924 7.9338 116.8836 56.1000 29.7570 175.7007 115 Q 4.3673 9.0058 121.7446 55.0680 29.3627 174.3891 116 I 4.5494 8.1360 125.0693 59.2125 39.2589 175.2338 117 K 4.3786 8.6491 128.9489 54.4568 33.7964 174.9209 118 W 4.4344 8.6123 127.8649 55.8073 30.4900 175.8824 119 E 4.2586 8.7167 124.2129 54.3777 31.3364 175.6330 120 W 5.3321 8.5089 126.1551 55.9405 29.4997 176.4548 121 V 4.3524 8.7056 119.0665 59.7812 33.4982 175.8784 122 K 4.6555 8.6608 122.8426 55.8269 34.0106 176.7986 123 G 4.2267 8.8655 109.7461 46.1318 0.0000 172.8394 124 H 4.4803 8.6238 117.0950 57.9146 29.2487 176.0233 125 A 4.1254 7.9833 122.5749 53.6920 18.3205 177.5791 126 G 3.9261 9.1736 111.1437 45.9573 0.0000 173.4187 127 H 4.9453 8.1278 116.4230 52.4768 29.2093 172.1778 128 P 4.2231 0.0000 0.0000 65.9785 31.4647 178.6256 129 E 3.7059 7.7464 117.7597 58.9062 29.2189 178.8735 130 N 4.4465 7.9646 116.2186 56.2661 38.7235 176.8412 131 E 3.4736 8.1934 120.7395 59.1580 29.6479 178.9005 132 R 3.8499 8.2149 118.6963 59.2189 30.0768 178.2782 133 A 4.0508 8.4134 121.1399 55.2689 18.3048 179.1087 134 D 4.3339 8.3545 116.5643 57.5151 41.2834 178.3006 135 E 3.9821 8.2934 119.1878 59.3503 29.4232 179.3243 136 L 3.9752 8.1991 118.8694 57.6723 41.7109 179.4350 137 A 4.0711 8.2416 120.7494 55.3613 18.3149 179.9516 138 R 3.8992 8.4112 116.7461 59.2607 29.8770 179.2001 139 A 3.9733 8.0031 119.5868 55.1197 18.8109 179.2500 140 A 3.9960 8.2141 119.1491 55.1865 18.1928 179.7469 141 A 4.1130 7.9801 118.4078 55.1889 18.5119 179.1216 142 M 4.3014 7.5977 115.2712 56.5536 33.6106 176.7099 143 N 5.0280 7.5965 115.7013 51.1312 39.9557 172.4267 144 P 4.4475 0.0000 0.0000 62.7291 32.7171 177.2530 145 T 4.4317 8.1740 108.7393 61.1279 70.8094 173.8512 146 L 4.4972 7.6165 122.0702 52.8638 43.6515 174.5895 147 E 4.7538 8.4321 121.2402 54.9991 30.9887 176.2999 148 D 4.8447 8.5602 126.7492 52.8754 39.8916 176.2602 149 T 3.9688 8.2751 120.2535 66.0225 68.9212 175.8960 150 G 3.8043 7.9340 107.3630 46.2218 0.0000 173.1454 151 Y 4.1592 7.8989 122.2811 57.6558 39.2269 175.1222 152 Q 4.1701 7.2502 124.8498 53.2238 32.3232 175.4108 153 V 3.4373 7.7806 121.2938 64.3764 32.1761 175.7092 154 E 4.1376 8.7985 124.3767 56.8153 28.7840 174.3701 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 3 K 8.31 4.39 0.00 1.88 2.21 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.57 7.81 4 Q 8.24 4.25 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 5 V 9.62 4.57 1.95 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 0.97 0.00 0.00 0.68 0.00 0.00 6 E 9.15 4.89 0.00 1.99 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 7 I 8.24 4.97 1.61 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.53 0.83 0.00 0.00 8 F 9.34 5.43 0.00 2.94 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 9 T 8.94 5.42 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 1.26 0.00 0.00 10 A 9.10 4.84 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 11 G 8.60 4.62 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 12 S 9.17 5.14 0.00 3.93 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 13 A 8.39 5.08 1.20 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 0.00 0.00 0.00 14 L 9.26 4.44 0.00 1.57 1.70 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.37 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.47 5.02 0.00 2.62 2.72 0.00 0.00 6.71 7.69 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 17 P 0.00 4.94 0.00 1.59 1.18 0.00 3.87 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.98 0.00 18 G 8.35 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 19 P 0.00 4.98 0.00 2.16 1.98 0.00 3.86 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 2.10 1.93 0.00 20 G 9.27 4.37 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 0.00 21 G 9.26 4.73 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 0.00 22 Y 8.48 5.57 0.00 3.22 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 23 G 9.40 4.69 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 24 A 9.59 5.52 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 25 I 9.23 5.02 2.13 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 1.17 0.91 1.03 0.00 0.00 26 L 9.46 5.20 0.00 1.88 1.67 1.02 0.75 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 27 R 9.44 5.26 0.00 2.00 1.88 0.00 3.56 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 28 Y 9.33 4.97 0.00 2.93 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 29 R 9.07 3.54 0.00 0.72 1.49 0.00 2.99 0.00 0.00 2.99 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.46 0.00 30 G 8.16 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 31 R 7.75 4.60 0.00 1.88 1.86 0.00 3.23 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 32 E 8.43 5.51 0.00 1.81 1.83 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 2.25 2.29 0.00 33 K 9.21 4.66 0.00 1.43 1.77 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.56 7.81 34 T 8.11 5.13 4.13 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 1.22 0.00 0.00 35 F 9.17 5.02 0.00 3.10 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 36 S 9.00 5.00 0.00 3.85 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.06 4.45 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 38 G 8.38 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 9.15 5.27 0.00 2.89 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.03 3.93 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 1.21 0.00 0.00 41 R 7.84 4.39 0.00 1.77 1.83 0.00 3.29 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.50 0.00 42 T 8.44 4.21 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 1.18 0.00 0.00 43 T 8.07 4.85 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 1.17 0.00 0.00 44 N 8.81 4.22 0.00 2.84 2.83 0.00 0.00 6.91 6.71 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 45 N 7.95 4.23 0.00 2.39 1.72 0.00 0.00 7.10 7.66 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 46 R 7.92 3.92 0.00 1.94 1.89 0.00 3.43 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 47 M 8.09 4.18 0.00 2.36 2.25 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.82 0.00 48 E 8.51 4.06 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.63 0.00 49 L 7.89 3.94 0.00 1.88 1.52 -0.35 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.30 3.76 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.57 0.00 51 A 8.09 3.59 1.54 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 0.00 0.00 52 A 7.61 3.94 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.82 3.57 1.87 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.67 0.85 0.00 0.00 54 V 7.69 3.34 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 0.78 0.00 0.00 0.60 0.00 0.00 55 A 7.36 3.55 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 56 L 7.82 3.94 0.00 1.71 1.85 0.92 0.55 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 57 E 8.31 4.03 0.00 1.83 1.95 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 2.31 2.41 0.00 58 A 7.27 4.21 1.14 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 59 L 7.19 4.04 0.00 1.67 1.52 0.56 nan 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 60 K 8.53 4.36 0.00 1.69 1.78 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.43 7.81 61 E 7.53 4.67 0.00 1.84 1.70 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 2.14 2.25 0.00 62 H 8.52 4.45 0.00 3.02 3.19 0.00 5.66 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 63 A 8.76 4.76 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.60 4.70 0.00 1.92 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 65 V 8.72 4.71 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 0.72 0.00 0.00 0.70 0.00 0.00 66 I 8.51 4.52 1.68 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.86 0.73 0.00 0.00 67 L 8.29 4.49 0.00 0.93 0.53 0.38 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.62 5.12 0.00 3.70 3.60 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 69 T 8.92 5.32 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 70 D 8.78 5.54 0.00 2.99 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 7.97 4.34 0.00 4.08 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 72 Q 8.78 3.86 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.60 0.00 73 Y 8.05 4.23 0.00 3.17 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.07 3.68 2.26 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 1.17 0.00 0.00 1.02 0.00 0.00 75 R 7.43 2.00 0.00 0.67 1.36 0.00 2.40 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.50 0.00 76 Q 7.76 3.09 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 1.85 2.30 0.00 77 G 7.40 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 0.00 0.00 0.00 78 I 7.31 3.52 1.47 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 1.56 -0.17 0.56 0.00 0.00 79 T 7.30 4.15 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 1.03 0.00 0.00 80 Q 7.47 4.17 0.00 1.02 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 1.95 1.80 0.00 81 W 6.76 3.90 0.00 1.78 1.74 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 82 I 7.06 3.21 1.65 0.00 0.00 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 1.62 1.35 0.88 0.00 0.00 83 H 7.70 4.11 0.00 3.29 3.45 0.00 5.51 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.39 4.23 0.00 2.51 2.73 0.00 0.00 7.16 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 85 W 7.73 4.13 0.00 2.67 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 0.00 0.00 0.00 86 K 7.58 3.49 0.00 1.82 1.82 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.34 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.62 1.30 7.81 87 K 7.54 4.00 0.00 1.81 1.83 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.60 7.81 88 R 7.85 4.47 0.00 1.84 1.90 0.00 3.24 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 89 G 8.12 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 0.00 0.00 0.00 0.00 90 W 8.43 3.46 0.00 3.50 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.45 4.97 0.00 1.73 1.63 0.00 1.71 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.51 7.81 92 T 8.38 4.27 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 93 A 8.46 3.91 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 94 D 8.00 4.53 0.00 2.78 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 95 K 8.11 3.91 0.00 1.92 1.97 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.53 7.81 96 K 7.82 4.37 0.00 1.92 1.66 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.37 7.81 97 P 0.00 4.69 0.00 1.87 1.96 0.00 3.65 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 98 V 8.37 3.39 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 -0.49 0.00 0.00 0.03 0.00 0.00 99 K 8.39 4.06 0.00 1.80 1.77 0.00 2.01 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.51 7.81 100 N 9.08 4.48 0.00 3.28 2.94 0.00 0.00 6.89 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 0.00 101 V 7.66 3.68 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 0.76 0.00 0.00 0.61 0.00 0.00 102 D 8.03 4.23 0.00 2.83 2.92 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 0.00 103 L 7.76 3.98 0.00 1.53 1.56 0.80 0.87 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 0.00 104 W 8.35 4.47 0.00 3.49 3.61 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 0.00 105 Q 8.25 3.82 0.00 1.85 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.17 0.00 106 R 7.95 3.90 0.00 1.94 2.02 0.00 3.06 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 107 L 8.39 3.99 0.00 1.84 2.03 1.09 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.44 4.54 0.00 3.16 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 0.00 109 A 8.30 4.16 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 0.00 110 A 8.04 4.05 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 0.00 111 L 8.34 4.14 0.00 1.92 1.85 1.23 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.19 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 0.00 113 Q 8.30 4.55 0.00 1.47 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.92 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 114 H 7.93 4.49 0.00 3.10 3.22 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 9.01 4.37 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 116 I 8.14 4.55 1.65 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.44 -0.29 0.00 0.00 117 K 8.65 4.38 0.00 1.70 1.52 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 1.33 7.81 118 W 8.61 4.43 0.00 2.46 1.74 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 0.00 119 E 8.72 4.26 0.00 1.71 1.80 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 2.09 2.07 0.00 120 W 8.51 5.33 0.00 3.19 3.09 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 0.00 121 V 8.71 4.35 1.83 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 0.71 0.00 0.00 1.03 0.00 0.00 122 K 8.66 4.66 0.00 1.75 1.75 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.46 7.81 123 G 8.87 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 0.00 0.00 0.00 0.00 124 H 8.62 4.48 0.00 3.25 3.50 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.98 4.13 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 0.00 126 G 9.17 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 0.00 127 H 8.13 4.95 0.00 3.41 3.49 0.00 5.82 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.22 0.00 2.17 2.26 0.00 3.70 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 1.96 2.00 0.00 129 E 7.75 3.71 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 2.03 0.00 130 N 7.96 4.45 0.00 3.05 2.99 0.00 0.00 6.78 7.66 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 0.00 131 E 8.19 3.47 0.00 1.90 1.99 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 2.22 2.10 0.00 132 R 8.21 3.85 0.00 1.93 1.97 0.00 3.13 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 133 A 8.41 4.05 1.51 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 0.00 0.00 134 D 8.35 4.33 0.00 2.91 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.29 3.98 0.00 2.24 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 2.56 0.00 136 L 8.20 3.98 0.00 1.94 1.74 0.96 0.53 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 0.00 137 A 8.24 4.07 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.41 3.90 0.00 1.87 2.01 0.00 3.16 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 139 A 8.00 3.97 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 0.00 140 A 8.21 4.00 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 0.00 141 A 7.98 4.11 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 0.00 142 M 7.60 4.30 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.86 0.00 143 N 7.60 5.03 0.00 2.65 2.66 0.00 0.00 6.99 7.43 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 0.00 144 P 0.00 4.45 0.00 2.17 2.14 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 145 T 8.17 4.43 4.17 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 1.15 0.00 0.00 146 L 7.62 4.50 0.00 0.77 1.31 0.57 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.43 4.75 0.00 1.96 1.90 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 2.39 2.34 0.00 148 D 8.56 4.84 0.00 2.72 2.78 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 0.00 149 T 8.28 3.97 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 1.27 0.00 0.00 150 G 7.93 3.80 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 0.00 0.00 0.00 151 Y 7.90 4.16 0.00 3.12 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 0.00 152 Q 7.25 4.17 0.00 1.75 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.12 0.00 153 V 7.78 3.44 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 0.80 0.00 0.00 0.93 0.00 0.00 154 E 8.80 4.14 0.00 2.13 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 2.17 2.27 0.00