NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1379 8.0549 114.0565 61.0802 33.0384 174.8636 2 L 4.0922 8.2063 123.6866 52.1627 42.5918 175.9987 3 S 4.5416 9.1989 118.6279 57.5854 66.3590 174.8680 4 E 4.2467 8.7876 121.8274 59.4637 29.1792 178.7787 5 G 3.6706 8.1073 105.3219 47.8899 0.0000 175.4102 6 E 3.9611 8.0733 120.4620 58.9275 29.4193 179.4538 7 W 4.2689 8.2746 119.1294 59.6905 29.0494 178.3499 8 Q 4.0984 8.3931 119.7574 59.2193 28.4760 178.3312 9 L 4.0985 7.8720 120.1576 57.5851 41.6149 179.7270 10 V 3.7440 7.8115 117.8668 66.1888 31.5790 178.2162 11 L 4.2888 8.3925 118.7750 57.7032 41.0451 178.9856 12 H 4.1716 8.5703 118.8088 59.3110 29.8964 177.7989 13 V 3.4500 7.8814 120.6249 64.4432 31.3458 178.1176 14 W 3.9238 8.5379 128.8408 60.0309 30.2521 177.7935 15 A 4.0170 7.9146 120.3564 54.9045 18.0386 179.4645 16 K 3.9360 7.4302 116.7144 59.5992 32.2582 179.6377 17 V 2.8382 7.1253 118.3509 65.7300 30.9647 177.4030 18 E 3.9768 7.5155 115.7703 57.7340 29.3653 178.2589 19 A 4.2177 7.6740 120.6620 53.5861 19.8293 177.6927 20 D 4.6593 7.6061 115.6008 52.2626 43.0841 175.5721 21 V 3.4499 7.8524 123.2932 65.7224 32.0973 176.8226 22 A 4.0580 7.9683 120.1681 55.0296 18.2782 179.7172 23 G 3.5673 8.4117 105.6985 47.6257 0.0000 175.7404 24 H 4.1509 8.2099 118.7308 58.4910 28.7289 178.1180 25 G 3.5814 8.3204 107.8576 47.7772 0.0000 175.5187 26 Q 3.8438 8.0875 122.0704 59.0507 29.0321 178.0488 27 D 4.2895 7.9771 119.8843 57.2193 40.6794 178.9968 28 I 3.6260 7.6995 120.2774 64.4102 37.1198 178.4213 29 L 3.4196 7.6412 119.7002 57.5681 41.3080 179.7510 30 I 3.5545 7.5784 119.6626 64.3124 37.0844 178.3092 31 R 3.7851 8.0272 119.7552 59.3002 29.7398 178.2038 32 L 3.9260 7.8688 120.0956 58.3633 41.5794 179.1018 33 F 4.5656 7.9797 117.8325 60.4448 38.5383 177.9431 34 K 4.0532 8.0815 117.6067 59.4990 32.0367 179.3472 35 S 4.2682 7.9302 114.4167 60.2819 64.0496 174.3907 36 H 4.6566 8.1531 118.6670 51.7752 29.4076 171.6650 37 P 4.4488 0.0000 0.0000 64.6735 30.9128 177.4408 38 E 4.1095 8.2704 116.0124 59.5431 29.4230 179.2238 39 T 3.9461 8.2307 111.3228 64.5783 68.8129 176.3597 40 L 3.6338 8.0022 122.8562 57.6668 41.7948 178.4406 41 E 4.0455 7.7854 117.4728 58.6964 29.6003 178.4494 42 K 4.4224 7.9533 117.0006 57.3154 32.6829 176.7549 43 F 4.6122 8.1811 118.8613 55.6680 38.4903 176.1699 44 D 4.4078 8.5696 126.8734 57.1080 40.8321 178.4201 45 R 3.9028 7.7745 117.5731 57.9394 30.4161 176.4038 46 F 5.1043 7.5599 113.5509 56.8337 40.7748 176.6029 47 K 3.9074 8.0113 120.6112 59.5532 31.9122 177.7186 48 H 4.4207 8.1530 112.2107 56.8510 29.0068 175.2392 49 L 4.1478 7.5781 121.7717 54.4824 41.8188 176.4559 50 K 4.3113 9.5450 123.9610 57.2541 33.7156 177.1949 51 T 4.6547 7.5184 107.6606 59.3614 72.7083 174.6295 52 E 3.9023 8.5544 121.2619 59.3094 29.7334 178.6208 53 A 3.9884 7.9500 120.3823 55.2827 18.2731 179.2833 54 E 3.9554 8.0241 115.9929 59.7477 29.5235 179.2568 55 M 4.1687 8.0912 118.7594 58.3818 31.8367 178.9877 56 K 3.9151 8.2731 117.6034 59.0794 32.2408 178.6616 57 A 4.3567 7.5496 119.1638 52.5144 18.8809 177.4157 58 S 4.1766 7.4164 113.5731 58.1599 62.8248 174.5044 59 E 4.0279 8.8349 128.8170 58.9425 29.4960 177.9092 60 D 4.4295 8.1126 118.0738 57.0374 41.3758 177.7430 61 L 3.4653 8.0553 121.0370 57.8894 42.1185 178.8315 62 K 3.8645 7.7550 119.7358 59.3606 32.1832 178.6672 63 K 4.0015 8.2106 120.0337 59.7901 32.0752 178.3817 64 H 4.4826 8.5783 118.7960 58.9753 29.7801 177.3643 65 G 3.6068 8.2766 107.9006 47.8658 0.0000 175.8040 66 V 3.6420 7.7007 120.1476 65.9509 31.6520 178.2270 67 T 3.8849 7.7473 115.0992 66.5967 68.2853 176.8207 68 V 3.6280 7.9817 120.2407 66.1381 31.5621 178.1884 69 L 4.2809 8.0610 118.6784 57.9293 41.4297 179.6194 70 T 3.9823 8.3107 115.9556 66.4122 68.2584 176.6848 71 A 3.9720 7.9824 122.3602 55.0667 18.3899 179.4028 72 L 3.7515 8.1288 119.0942 58.1296 42.0924 179.3864 73 G 3.2107 8.3956 105.6077 47.6801 0.0000 175.4915 74 A 3.9982 7.7429 122.1543 54.7342 18.5805 179.7177 75 I 3.7822 7.3526 118.0901 64.6514 37.3193 178.4212 76 L 3.9489 7.7715 120.0129 57.8598 41.2269 179.4114 77 K 4.0885 7.7816 115.8392 57.7151 32.2779 178.3510 78 K 4.0284 7.9636 118.7166 55.3872 33.1059 176.1488 79 K 2.0000 8.2044 118.6725 56.4088 29.7779 174.9731 80 G 4.0485 7.8140 105.8013 45.7951 0.0000 173.3813 81 H 4.5489 7.5921 119.1355 55.0653 27.3961 174.8280 82 H 5.3361 7.4662 111.0193 54.3942 29.9256 176.9697 83 E 3.9609 8.5636 120.6053 60.6911 28.8524 178.5930 84 A 4.0603 7.9477 119.9360 54.2259 17.1626 178.8532 85 E 4.1651 8.0690 116.8184 59.2041 29.8926 178.7281 86 L 4.2964 8.4107 120.8685 57.6849 42.0908 178.7826 87 K 3.8903 7.9940 119.5443 59.2429 32.1749 177.0935 88 P 4.3026 0.0000 0.0000 65.1495 31.2153 178.4664 89 L 3.9988 7.5028 118.4272 58.1654 42.0122 178.9222 90 A 4.1306 8.2128 120.8490 55.1761 18.2148 179.6070 91 Q 3.7807 8.0808 116.8564 59.1035 28.7425 179.2987 92 S 3.9698 8.1138 115.2193 61.8374 63.1580 176.2451 93 H 4.1428 8.6301 119.7103 57.8766 28.2428 177.7558 94 A 3.0899 7.8228 123.2067 54.6755 18.0674 179.3921 95 T 3.7129 7.2323 106.2849 62.7573 69.4754 175.8982 96 K 4.0808 7.4203 121.0193 58.5552 32.8537 177.0419 97 H 4.3421 7.9214 113.5948 55.8376 29.5446 175.3139 98 K 3.7962 7.4860 117.1088 56.1052 28.9476 175.5343 99 I 4.2213 8.2556 118.7037 58.7300 38.5976 175.1199 100 P 4.4946 0.0000 0.0000 62.2329 32.1166 177.3157 101 I 3.3654 8.2814 120.6576 64.5010 36.8146 178.3203 102 K 3.6144 7.9189 119.8458 59.8764 31.8393 178.2117 103 Y 4.0545 7.9041 116.6232 60.9239 37.8422 178.4262 104 L 4.1517 7.8838 120.0601 57.3938 41.6241 179.1841 105 E 3.9461 7.8190 119.1568 59.2373 29.7176 178.4860 106 F 4.6788 7.7713 117.9154 60.9576 38.9271 177.5901 107 I 3.8973 8.2505 118.0483 63.8769 37.7559 178.0873 108 S 4.1849 8.1024 115.9645 61.6442 62.5941 176.4283 109 E 4.0634 8.3702 121.0093 59.3961 29.1888 179.2850 110 A 4.0256 8.0948 120.8301 55.1527 18.3871 179.7934 111 I 3.6827 8.1015 118.4956 64.6638 37.2192 178.7414 112 I 3.8284 7.9265 120.6562 64.5217 36.9306 177.9140 113 H 4.0537 8.5477 119.2927 59.3189 29.7172 177.5061 114 V 3.5396 7.9630 119.9397 66.0758 31.3903 177.9352 115 L 3.7991 7.9230 118.7446 57.9279 41.0016 179.0945 116 H 4.3942 7.9034 117.5796 59.3299 29.8974 177.2541 117 S 4.1645 7.8134 116.2347 61.1512 62.7526 176.1035 118 R 4.1868 7.8386 118.6476 56.8801 31.5955 176.4761 119 H 4.9739 8.0808 116.4296 53.2894 30.2829 172.3858 120 P 4.2718 0.0000 0.0000 66.0732 31.3413 179.4212 121 G 3.6821 8.1316 106.0372 47.1804 0.0000 173.6078 122 D 4.8750 8.1154 117.5680 54.1549 41.8676 176.0229 123 F 5.0013 7.8078 120.4176 56.9173 39.5545 174.4848 124 G 3.8761 7.6996 108.5401 43.8839 0.0000 172.3419 125 A 3.8756 8.4933 120.9405 55.3055 18.0992 179.5706 126 D 4.1872 7.9157 116.8050 56.5515 39.5316 178.5866 127 A 3.9156 7.6800 121.8091 54.6209 18.4795 179.1321 128 Q 3.2405 7.7165 118.4833 59.0314 29.0567 178.8716 129 G 3.5013 8.2566 106.8513 47.6951 0.0000 175.5858 130 A 3.8889 7.9200 123.2707 54.9930 18.2835 179.4362 131 M 3.9910 8.2880 116.9910 58.6557 32.2584 177.9445 132 N 4.3056 8.3243 117.2846 56.6782 39.1387 176.9367 133 K 3.8665 8.0432 119.6020 59.4339 32.1047 179.1925 134 A 3.8468 8.0458 121.0964 55.1392 18.2990 179.7502 135 L 4.0667 8.2695 117.7985 57.8860 41.5765 179.5901 136 E 4.0241 8.5975 119.0872 59.2115 29.3879 179.0323 137 L 3.9705 8.1578 120.5132 58.0458 42.1348 178.7676 138 F 4.1430 8.3328 120.5697 61.5057 39.3057 177.3814 139 R 3.5759 8.1385 117.6149 58.8334 29.9506 178.8696 140 K 3.8286 8.2498 119.7280 59.7982 32.0854 178.6458 141 D 4.3800 8.0781 119.0309 57.3142 40.6158 178.8887 142 I 3.6208 7.5438 120.2852 64.1249 36.9365 178.2560 143 A 3.7378 8.2199 121.9007 54.9205 18.1975 179.5663 144 A 3.9406 7.8750 118.9930 55.2737 18.5085 180.0733 145 K 3.9830 7.8689 117.1354 59.7070 32.1266 179.0810 146 Y 4.0329 8.5388 117.4360 61.0478 37.9534 178.6058 147 K 3.9093 8.4557 120.6739 59.5605 32.0316 178.0488 148 E 3.9392 7.8606 117.9016 59.5849 29.6862 178.6630 149 L 4.3027 7.7504 116.2490 55.8598 41.7504 177.9751 150 G 3.8787 7.9813 106.8516 45.7316 0.0000 173.5736 151 Y 4.3846 8.1804 114.6953 56.7367 38.8568 174.8724 152 Q 3.9476 8.3183 121.7340 59.6505 28.8460 176.8965 153 G 3.5755 9.0269 113.2336 45.2101 0.0000 172.2879 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 V 8.05 4.14 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 0.93 0.00 0.00 0.95 0.00 0.00 2 L 8.21 4.09 0.00 0.73 0.70 0.54 -0.57 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 3 S 9.20 4.54 0.00 4.03 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 4 E 8.79 4.25 0.00 2.19 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 2.43 2.52 0.00 5 G 8.11 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 6 E 8.07 3.96 0.00 1.94 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 2.23 2.27 0.00 7 W 8.27 4.27 0.00 3.56 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 8 Q 8.39 4.10 0.00 2.34 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 9 L 7.87 4.10 0.00 1.86 1.74 0.98 0.99 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 10 V 7.81 3.74 2.44 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 1.20 0.00 0.00 0.89 0.00 0.00 11 L 8.39 4.29 0.00 1.87 1.81 0.95 0.89 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 12 H 8.57 4.17 0.00 3.42 3.43 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.88 3.45 2.29 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 0.98 0.00 0.00 0.80 0.00 0.00 14 W 8.54 3.92 0.00 3.67 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 15 A 7.91 4.02 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 16 K 7.43 3.94 0.00 1.54 1.69 0.00 1.65 0.00 0.00 1.48 0.00 0.00 2.70 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.49 1.48 7.81 17 V 7.13 2.84 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 0.00 0.00 -0.06 0.00 0.00 0.25 0.00 0.00 18 E 7.52 3.98 0.00 2.02 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 2.19 2.08 0.00 19 A 7.67 4.22 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 20 D 7.61 4.66 0.00 2.73 2.52 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 21 V 7.85 3.45 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 1.06 0.00 0.00 0.89 0.00 0.00 22 A 7.97 4.06 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 8.41 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 24 H 8.21 4.15 0.00 3.25 3.21 0.00 5.82 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 8.32 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 3.84 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 27 D 7.98 4.29 0.00 2.80 2.63 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 28 I 7.70 3.63 1.93 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 1.51 0.69 0.88 0.00 0.00 29 L 7.64 3.42 0.00 1.34 0.93 0.74 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.58 3.55 1.83 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 1.36 0.55 0.87 0.00 0.00 31 R 8.03 3.79 0.00 1.86 2.13 0.00 3.04 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 32 L 7.87 3.93 0.00 1.75 1.42 1.06 1.28 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 33 F 7.98 4.57 0.00 3.01 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 8.08 4.05 0.00 1.69 1.83 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.70 1.60 7.81 35 S 7.93 4.27 0.00 3.72 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 36 H 8.15 4.66 0.00 3.03 2.90 0.00 5.64 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 37 P 0.00 4.45 0.00 2.15 2.11 0.00 3.81 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 2.09 1.99 0.00 38 E 8.27 4.11 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 2.19 2.52 0.00 39 T 8.23 3.95 4.50 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 0.92 0.00 0.00 40 L 8.00 3.63 0.00 1.44 1.72 -0.31 0.43 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 41 E 7.79 4.05 0.00 2.07 2.16 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 2.37 2.44 0.00 42 K 7.95 4.42 0.00 2.05 1.70 0.00 1.94 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.76 1.89 7.81 43 F 8.18 4.61 0.00 3.28 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 44 D 8.57 4.41 0.00 2.63 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 7.77 3.90 0.00 1.52 1.66 0.00 2.96 0.00 0.00 2.91 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.95 0.00 46 F 7.56 5.10 0.00 2.87 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 47 K 8.01 3.91 0.00 1.82 1.91 0.00 1.68 0.00 0.00 2.04 0.00 0.00 3.08 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.72 1.48 7.81 48 H 8.15 4.42 0.00 3.29 3.43 0.00 5.52 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 7.58 4.15 0.00 1.62 1.58 0.91 0.62 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 50 K 9.54 4.31 0.00 1.81 1.83 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.49 7.81 51 T 7.52 4.65 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 8.55 3.90 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 7.95 3.99 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 54 E 8.02 3.96 0.00 2.14 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 2.35 2.35 0.00 55 M 8.09 4.17 0.00 2.05 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 2.83 2.56 0.00 56 K 8.27 3.92 0.00 1.91 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.42 7.81 57 A 7.55 4.36 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 58 S 7.42 4.18 0.00 3.88 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 59 E 8.83 4.03 0.00 2.14 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 2.39 2.45 0.00 60 D 8.11 4.43 0.00 2.95 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.06 3.47 0.00 1.38 1.61 -0.11 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.75 3.86 0.00 1.79 1.96 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.42 7.81 63 K 8.21 4.00 0.00 1.92 2.11 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.51 7.81 64 H 8.58 4.48 0.00 3.66 3.60 0.00 5.85 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 65 G 8.28 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 0.00 0.00 0.00 66 V 7.70 3.64 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 1.12 0.00 0.00 0.99 0.00 0.00 67 T 7.75 3.88 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 1.28 0.00 0.00 68 V 7.98 3.63 2.09 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 1.09 0.00 0.00 1.00 0.00 0.00 69 L 8.06 4.28 0.00 1.81 1.86 0.89 0.93 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 70 T 8.31 3.98 4.49 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 1.26 0.00 0.00 71 A 7.98 3.97 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.13 3.75 0.00 1.72 1.61 0.13 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 8.40 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 0.00 0.00 0.00 74 A 7.74 4.00 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 75 I 7.35 3.78 1.88 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 1.56 0.70 0.94 0.00 0.00 76 L 7.77 3.95 0.00 1.15 1.56 0.02 1.04 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 77 K 7.78 4.09 0.00 1.64 1.79 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.19 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.49 7.81 78 K 7.96 4.03 0.00 1.89 1.79 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.54 1.70 7.81 79 K 8.20 2.00 0.00 1.24 0.74 0.00 1.50 0.00 0.00 1.43 0.00 0.00 2.73 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.43 0.76 7.81 80 G 7.81 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 81 H 7.59 4.55 0.00 3.10 3.36 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.47 5.34 0.00 3.31 3.48 0.00 5.66 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.56 3.96 0.00 2.20 2.29 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 2.38 2.35 0.00 84 A 7.95 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 85 E 8.07 4.17 0.00 2.23 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 2.38 2.43 0.00 86 L 8.41 4.30 0.00 1.94 1.68 0.77 0.41 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 7.99 3.89 0.00 2.07 1.81 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.50 7.81 88 P 0.00 4.30 0.00 2.23 2.10 0.00 3.85 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 2.13 2.15 0.00 89 L 7.50 4.00 0.00 1.81 1.92 1.13 0.87 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 90 A 8.21 4.13 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 91 Q 8.08 3.78 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 92 S 8.11 3.97 0.00 3.99 4.12 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 0.00 0.00 0.00 93 H 8.63 4.14 0.00 3.47 3.55 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 7.82 3.09 -0.23 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 95 T 7.23 3.71 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 0.95 0.00 0.00 96 K 7.42 4.08 0.00 1.56 1.64 0.00 1.71 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.13 1.32 7.81 97 H 7.92 4.34 0.00 3.00 3.16 0.00 5.86 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 98 K 7.49 3.80 0.00 1.85 1.83 0.00 1.80 0.00 0.00 2.41 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.29 1.38 7.81 99 I 8.26 4.22 2.03 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 1.50 0.91 1.06 0.00 0.00 100 P 0.00 4.49 0.00 1.95 1.99 0.00 2.91 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 0.62 1.29 0.00 101 I 8.28 3.37 1.68 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.54 0.70 0.00 0.00 102 K 7.92 3.61 0.00 1.73 1.69 0.00 1.54 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 0.65 7.81 103 Y 7.90 4.05 0.00 3.21 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 0.00 104 L 7.88 4.15 0.00 1.76 1.78 0.61 0.91 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 0.00 105 E 7.82 3.95 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 106 F 7.77 4.68 0.00 3.22 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 0.00 107 I 8.25 3.90 2.02 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 1.58 1.62 1.08 0.00 0.00 108 S 8.10 4.18 0.00 4.21 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 0.00 109 E 8.37 4.06 0.00 2.38 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 0.00 2.43 2.59 0.00 110 A 8.09 4.03 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 8.10 3.68 2.10 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 1.59 0.78 1.03 0.00 0.00 112 I 7.93 3.83 2.12 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 1.67 0.76 1.11 0.00 0.00 113 H 8.55 4.05 0.00 3.38 3.53 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 7.96 3.54 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 0.90 0.00 0.00 0.97 0.00 0.00 115 L 7.92 3.80 0.00 0.69 0.53 0.71 0.62 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 7.90 4.39 0.00 3.47 3.56 0.00 5.95 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 0.00 117 S 7.81 4.16 0.00 3.96 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 0.00 118 R 7.84 4.19 0.00 1.62 1.52 0.00 2.68 0.00 0.00 2.82 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.58 0.00 119 H 8.08 4.97 0.00 3.18 3.18 0.00 5.65 0.00 0.00 0.00 0.00 6.77 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 2.29 0.00 3.66 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 2.08 1.96 0.00 121 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 0.00 122 D 8.12 4.88 0.00 2.76 2.82 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 0.00 123 F 7.81 5.00 0.00 3.01 3.03 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 0.00 124 G 7.70 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.49 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 7.92 4.19 0.00 2.83 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.68 3.92 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 0.00 128 Q 7.72 3.24 0.00 1.54 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 129 G 8.26 3.50 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 0.00 130 A 7.92 3.89 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 0.00 131 M 8.29 3.99 0.00 2.49 2.45 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.85 0.00 132 N 8.32 4.31 0.00 2.97 2.91 0.00 0.00 7.22 6.36 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 0.00 133 K 8.04 3.87 0.00 1.89 1.68 0.00 1.57 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.55 7.81 134 A 8.05 3.85 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 0.00 135 L 8.27 4.07 0.00 1.87 1.80 0.98 1.10 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 0.00 136 E 8.60 4.02 0.00 2.16 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 0.00 2.34 2.54 0.00 137 L 8.16 3.97 0.00 1.81 1.96 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.33 4.14 0.00 3.13 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 0.00 139 R 8.14 3.58 0.00 2.04 1.85 0.00 3.11 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 140 K 8.25 3.83 0.00 1.89 1.97 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.47 7.81 141 D 8.08 4.38 0.00 2.73 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 0.00 142 I 7.54 3.62 1.57 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.06 0.51 0.00 0.00 143 A 8.22 3.74 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 0.00 144 A 7.87 3.94 1.41 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 0.00 145 K 7.87 3.98 0.00 2.05 1.93 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.17 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.54 7.81 146 Y 8.54 4.03 0.00 3.19 3.14 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 0.00 147 K 8.46 3.91 0.00 2.09 2.05 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 148 E 7.86 3.94 0.00 2.06 2.22 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 2.35 2.38 0.00 149 L 7.75 4.30 0.00 1.94 1.93 0.82 1.07 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 0.00 150 G 7.98 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.18 4.38 0.00 2.64 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 8.32 3.95 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 153 G 9.03 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00