NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4808 0.0000 0.0000 62.7316 32.7721 175.3676 2 S 4.6367 7.9681 113.7327 56.9395 64.2157 171.7097 3 V 3.5903 8.8057 123.1473 66.3581 32.3024 175.8721 4 Y 3.9095 7.9994 115.0362 60.9748 38.0442 177.5477 5 D 4.5024 8.1774 119.3826 57.0891 41.0907 178.2787 6 A 3.9366 7.6941 119.8648 55.2362 18.3686 179.5679 7 A 3.8611 8.1076 118.8857 55.0466 18.1965 179.4112 8 A 4.1156 7.8414 117.9179 54.4076 18.5272 179.0834 9 Q 4.1872 7.6563 115.3639 56.8305 30.1655 177.0876 10 L 4.2492 7.4152 122.0217 53.4114 40.1654 176.8181 11 T 4.1015 7.5343 113.6114 60.8297 71.3192 174.9647 12 A 3.9687 8.5104 122.6769 55.7018 18.2057 179.6804 13 D 4.2786 7.9698 116.6432 57.3749 40.9147 179.0262 14 V 3.4892 7.6207 118.3148 65.9106 31.4709 178.1565 15 K 3.8028 8.3127 118.6650 59.3250 31.7811 179.1976 16 K 3.9510 8.1739 119.8018 59.6902 32.1401 178.6324 17 D 4.5914 8.1393 119.1938 57.2451 40.5897 178.7313 18 L 3.7044 8.0252 119.6410 57.8780 41.6233 179.8473 19 R 4.0577 8.2790 118.2107 59.3907 28.5881 178.9563 20 D 4.4863 8.6257 119.3310 57.3949 40.7926 179.0067 21 S 3.2669 8.3232 114.9158 60.7864 63.1255 176.3062 22 W 4.2691 8.8482 132.3522 59.9860 30.1708 177.6136 23 K 3.8340 8.0087 119.1536 59.3070 31.8261 178.5495 24 V 3.6849 6.9960 115.8307 65.6985 31.7265 178.1637 25 I 3.3507 7.4547 119.7330 64.1895 36.9510 178.1360 26 G 2.4060 6.7206 106.6483 45.8042 0.0000 174.2664 27 S 4.1867 7.1270 113.9349 59.4170 63.3892 174.4386 28 D 4.6201 7.4267 120.3541 51.6222 41.1754 175.3955 29 K 3.8307 7.9392 123.1300 58.6358 32.5617 178.3989 30 K 3.9821 7.9858 119.5414 59.4815 32.2690 178.9269 31 G 3.6011 8.1634 107.0995 47.5285 0.0000 175.4328 32 N 4.4641 8.4244 119.7347 55.2986 38.5206 178.0189 33 G 3.4827 8.2646 107.7811 47.7864 0.0000 176.0324 34 V 3.5532 7.8313 120.8795 65.4661 31.5368 177.8895 35 A 4.0437 7.9258 121.8920 54.4571 18.1086 179.5811 36 L 3.7909 7.9140 117.4415 58.1734 41.6060 179.7690 37 M 3.3880 7.7738 118.7505 58.3354 31.8266 178.9851 38 T 3.8115 8.0702 110.3025 65.0072 68.8208 176.7495 39 T 3.9001 7.8081 118.6069 66.0917 68.4814 176.3067 40 L 3.8320 7.7010 122.4000 58.4028 41.6560 179.2334 41 F 4.4823 7.8552 117.5497 60.5289 38.5708 177.6539 42 A 4.1279 8.1109 119.7352 54.6558 18.3182 178.5648 43 D 4.7323 8.0237 114.8468 54.4318 43.0563 176.7098 44 N 5.2027 8.1966 116.6328 51.7459 39.4847 175.3320 45 Q 4.2736 8.2349 118.8438 58.0486 29.5697 178.6318 46 E 4.2100 8.2265 114.0538 57.6972 29.8505 177.7564 47 T 4.5531 8.2058 110.7297 62.8236 69.4395 176.6384 48 I 3.8379 7.8723 123.9067 64.4069 36.7766 178.0919 49 G 3.6079 8.0962 106.1560 48.1872 0.0000 175.0243 50 Y 4.2964 7.4937 117.5738 60.0914 37.8800 176.8993 51 F 4.7521 8.1966 118.5135 56.9705 39.3913 177.8721 52 K 3.9103 7.7823 123.7155 59.7587 32.3401 179.0606 53 R 3.9358 8.0397 118.8540 59.0794 30.0172 176.9162 54 L 4.2921 8.2367 116.0771 54.8681 42.8474 178.7448 55 G 3.8224 7.7279 106.9747 46.7549 0.0000 176.7692 56 D 4.5377 8.3736 123.7474 53.1442 40.9286 176.7135 57 V 3.8335 7.9335 120.5850 62.9557 31.5819 177.9268 58 S 4.2724 7.8728 113.3955 60.9835 62.4985 175.8875 59 Q 4.1455 8.2523 121.3948 56.3166 28.9166 177.1394 60 G 3.9204 8.6650 109.4615 46.4634 0.0000 177.0146 61 M 3.9965 8.8559 122.2356 58.0534 32.1575 176.9730 62 A 4.0503 7.4946 119.3647 53.6882 19.0103 177.2702 63 N 4.6158 8.1233 115.3505 52.6638 39.3285 175.0822 64 D 4.3961 8.6415 129.0965 57.5232 41.0155 178.9424 65 K 4.0339 8.0938 118.4817 59.3043 32.0462 179.0440 66 L 4.0380 8.7388 121.1619 58.0550 41.9357 179.0065 67 R 3.9943 8.5813 119.3358 59.3508 30.0411 178.7248 68 G 3.6325 8.4757 105.9156 48.0227 0.0000 174.9950 69 H 4.1849 8.5100 120.9632 59.2619 29.9893 177.5897 70 S 4.0709 8.4311 117.0304 61.5246 62.5411 176.6109 71 I 3.7584 8.0067 122.6890 64.9330 37.0296 178.6678 72 T 4.0727 8.0006 116.4548 66.4760 68.2634 176.3928 73 L 3.8577 8.2179 122.6904 58.5645 42.0047 179.0833 74 M 4.2113 7.8942 117.8448 58.3342 31.8390 178.1912 75 Y 3.9967 7.8429 116.7848 60.2489 37.9858 177.8436 76 A 3.5158 7.6458 121.9560 54.8628 18.2506 179.6212 77 L 3.5616 7.3776 117.3501 57.6608 41.5288 179.3651 78 Q 3.5889 7.8555 119.5683 59.0544 28.7238 177.9246 79 N 4.2648 7.7925 116.5942 56.8628 39.4153 176.3116 80 F 4.6125 7.7136 118.9532 60.8580 38.8970 177.6762 81 I 3.5613 7.7094 119.3076 64.5993 36.6765 178.2361 82 D 4.5098 8.1956 118.0615 56.4159 40.9089 177.6802 83 Q 4.4718 7.7064 117.1910 55.8567 28.8135 177.3154 84 L 4.0318 7.5542 121.3509 57.6862 41.6241 178.2036 85 D 4.3507 8.1098 117.7699 56.2030 41.1138 175.9230 86 N 4.8194 8.0906 116.6414 50.4919 40.7750 172.5901 87 P 4.2159 0.0000 0.0000 65.6489 31.5133 178.3014 88 D 4.4661 8.1766 117.2973 57.4780 40.9281 178.3925 89 D 4.3798 8.6131 119.5030 56.9717 40.7826 178.4404 90 L 3.9542 8.1826 121.2552 58.2966 42.0934 179.3094 91 V 3.3762 7.9690 118.6155 65.9713 31.4906 177.7663 92 C 4.3127 8.1434 114.3338 61.2068 29.4852 176.2935 93 V 3.7004 7.8192 114.6948 63.8789 31.2126 178.4954 94 V 3.7676 8.1659 118.4584 66.2835 31.2934 177.9689 95 E 3.9626 8.6089 118.5889 59.0321 29.0886 179.1491 96 K 3.7653 7.8255 119.2172 59.7834 32.3813 178.9721 97 F 4.6617 8.3714 118.8427 59.6473 38.8031 177.6764 98 A 3.9584 8.4713 121.3058 55.0546 18.1856 179.6202 99 V 3.5288 7.9226 116.7740 66.4328 31.3266 177.8713 100 N 4.3372 8.0019 116.0121 56.7905 38.3851 176.9548 101 H 4.1865 8.1704 116.7977 58.3776 28.8818 177.8047 102 I 3.7141 8.2879 122.2177 64.7149 36.6913 178.4147 103 T 3.8657 7.8009 115.5354 66.4261 68.3238 175.7835 104 R 4.2530 7.1539 116.6228 55.2220 30.3233 176.4197 105 K 3.8160 7.8949 117.2531 57.4739 29.8903 175.6660 106 I 3.9767 7.5613 120.4867 60.1641 37.6618 177.1099 107 S 4.5156 8.4115 120.7340 57.2091 65.5531 174.7692 108 A 3.9969 8.5324 123.2097 55.4761 17.7690 179.7770 109 A 4.0057 7.9196 117.4858 55.4469 18.8738 179.2875 110 E 4.1602 8.5190 117.1987 59.2809 29.5689 179.1531 111 F 4.1327 8.7888 121.4598 61.2215 39.4769 177.2322 112 G 3.8415 8.3888 104.6755 46.8629 0.0000 175.3642 113 K 4.1319 8.0099 120.7269 58.7412 31.9210 178.5096 114 I 3.5772 7.6822 118.9110 63.1644 37.7065 177.3732 115 N 4.4412 8.2105 117.9347 56.2270 38.3195 177.3931 116 G 3.5638 7.6063 107.0811 47.4468 0.0000 173.7692 117 P 4.2099 0.0000 0.0000 65.2327 31.2473 178.6642 118 I 3.5138 7.9165 118.5928 64.2173 36.9529 178.2830 119 K 3.9379 8.2611 120.6232 59.5399 31.9908 178.9943 120 K 3.9515 8.1043 118.6633 59.3714 32.0723 179.6362 121 V 3.5113 7.9925 118.8072 65.8167 31.4559 177.8172 122 L 3.9832 8.1603 118.9746 58.0771 41.5738 179.5531 123 A 4.2824 8.5402 122.1026 54.5685 18.0714 179.7450 124 S 4.2026 8.0863 111.8254 60.5275 63.0090 175.8482 125 K 4.4078 7.2085 119.2165 55.3174 32.5037 175.1856 126 N 4.1255 8.2080 116.2947 54.9776 37.1367 174.1606 127 F 4.5457 8.4480 116.1276 55.3706 41.4248 174.6606 128 G 4.6513 8.6021 117.6477 44.4363 0.0000 173.5262 129 D 4.5070 8.8094 119.0668 57.1090 41.0258 178.1337 130 K 3.7660 8.1934 119.9647 59.9928 32.0146 178.1999 131 Y 4.2075 8.0720 115.9581 60.8850 37.9412 177.5921 132 A 4.2081 8.4095 121.8205 55.5059 18.3352 179.5106 133 N 4.3356 8.8395 115.1535 56.1356 38.5110 177.4454 134 A 3.9471 7.9473 121.9200 55.1938 18.4309 179.8102 135 W 3.9615 8.5895 117.1657 59.7361 29.0431 178.6357 136 A 4.1181 8.5219 121.0930 55.0941 17.5418 179.8549 137 K 3.9380 7.5822 116.5730 59.2914 32.3431 179.1085 138 L 3.9269 7.6248 120.5302 58.0438 41.9508 178.8710 139 V 3.7615 8.2792 118.4319 66.3543 31.3990 177.8824 140 A 4.5090 8.1346 121.4392 54.3096 17.8838 179.8586 141 V 3.3962 7.2997 116.5994 66.0223 31.8752 178.0964 142 V 3.4630 7.4464 117.4631 66.0113 31.4699 177.6438 143 Q 3.8666 8.2400 117.8421 59.0893 28.3555 178.9953 144 A 4.0158 7.9171 120.1270 54.3430 18.4503 178.5635 145 A 4.2778 7.5784 117.2172 52.6489 19.3665 177.2262 146 L 4.0834 7.4045 122.0269 54.8037 41.7910 176.6872 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 P 0.00 4.48 0.00 2.09 2.06 0.00 3.60 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.12 0.00 2 S 7.97 4.64 0.00 3.90 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 3 V 8.81 3.59 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 0.78 0.00 0.00 0.90 0.00 0.00 4 Y 8.00 3.91 0.00 2.96 3.01 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 5 D 8.18 4.50 0.00 2.70 2.72 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 0.00 0.00 0.00 6 A 7.69 3.94 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 7 A 8.11 3.86 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 8 A 7.84 4.12 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 9 Q 7.66 4.19 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.32 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 10 L 7.42 4.25 0.00 1.64 1.53 0.77 0.72 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 11 T 7.53 4.10 4.22 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 1.18 0.00 0.00 12 A 8.51 3.97 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 13 D 7.97 4.28 0.00 2.67 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 14 V 7.62 3.49 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 0.99 0.00 0.00 0.87 0.00 0.00 15 K 8.31 3.80 0.00 1.91 1.80 0.00 1.68 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.69 7.81 16 K 8.17 3.95 0.00 1.95 1.96 0.00 1.57 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.76 7.81 17 D 8.14 4.59 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 18 L 8.03 3.70 0.00 1.61 1.19 0.54 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.28 4.06 0.00 2.03 2.05 0.00 3.16 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 20 D 8.63 4.49 0.00 2.99 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 21 S 8.32 3.27 0.00 3.48 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 22 W 8.85 4.27 0.00 3.79 3.26 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 23 K 8.01 3.83 0.00 1.94 2.01 0.00 1.88 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.44 7.81 24 V 7.00 3.68 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 1.01 0.00 0.00 1.07 0.00 0.00 25 I 7.45 3.35 1.51 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.76 0.58 0.00 0.00 26 G 6.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.13 4.19 0.00 3.90 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 28 D 7.43 4.62 0.00 2.60 2.37 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 29 K 7.94 3.83 0.00 1.73 1.70 0.00 1.24 0.00 0.00 0.81 0.00 0.00 2.13 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 1.39 7.81 30 K 7.99 3.98 0.00 1.82 1.78 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.51 7.81 31 G 8.16 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 0.00 0.00 0.00 32 N 8.42 4.46 0.00 2.68 2.70 0.00 0.00 6.97 8.34 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 33 G 8.26 3.48 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 0.00 34 V 7.83 3.55 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 0.97 0.00 0.00 0.95 0.00 0.00 35 A 7.93 4.04 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 36 L 7.91 3.79 0.00 1.76 1.56 0.78 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 37 M 7.77 3.39 0.00 1.41 1.98 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.65 0.00 38 T 8.07 3.81 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 1.28 0.00 0.00 39 T 7.81 3.90 4.27 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 1.17 0.00 0.00 40 L 7.70 3.83 0.00 1.56 1.30 0.90 0.86 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 41 F 7.86 4.48 0.00 2.99 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 42 A 8.11 4.13 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 43 D 8.02 4.73 0.00 2.77 2.72 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 0.00 0.00 0.00 44 N 8.20 5.20 0.00 2.88 2.91 0.00 0.00 6.85 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 45 Q 8.23 4.27 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.98 0.00 0.00 0.00 0.00 0.00 2.64 2.37 0.00 46 E 8.23 4.21 0.00 2.08 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 0.00 2.34 2.29 0.00 47 T 8.21 4.55 4.75 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 1.51 0.00 0.00 48 I 7.87 3.84 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.68 0.70 0.00 0.00 49 G 8.10 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 50 Y 7.49 4.30 0.00 2.76 2.58 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 51 F 8.20 4.75 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 52 K 7.78 3.91 0.00 1.93 2.08 0.00 1.32 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.40 7.81 53 R 8.04 3.94 0.00 1.81 2.05 0.00 3.26 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 54 L 8.24 4.29 0.00 1.79 1.75 1.04 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.73 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 56 D 8.37 4.54 0.00 2.70 2.57 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 57 V 7.93 3.83 1.84 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 0.50 0.00 0.00 0.18 0.00 0.00 58 S 7.87 4.27 0.00 4.06 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 59 Q 8.25 4.15 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.87 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 60 G 8.67 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 61 M 8.86 4.00 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 62 A 7.49 4.05 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 63 N 8.12 4.62 0.00 2.80 2.95 0.00 0.00 7.03 8.02 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 64 D 8.64 4.40 0.00 2.74 2.72 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 0.00 0.00 0.00 65 K 8.09 4.03 0.00 1.97 1.91 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.52 7.81 66 L 8.74 4.04 0.00 1.80 1.88 1.11 0.91 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 67 R 8.58 3.99 0.00 2.02 2.06 0.00 3.16 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 68 G 8.48 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 0.00 0.00 0.00 69 H 8.51 4.18 0.00 3.38 3.67 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.43 4.07 0.00 4.03 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 71 I 8.01 3.76 1.96 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 1.57 1.10 1.15 0.00 0.00 72 T 8.00 4.07 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 73 L 8.22 3.86 0.00 1.64 1.78 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 74 M 7.89 4.21 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.88 0.00 75 Y 7.84 4.00 0.00 3.13 3.05 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 76 A 7.65 3.52 0.35 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 77 L 7.38 3.56 0.00 1.41 1.04 0.85 1.07 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 78 Q 7.86 3.59 0.00 2.38 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.54 2.66 0.00 79 N 7.79 4.26 0.00 2.92 2.93 0.00 0.00 7.30 6.58 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 80 F 7.71 4.61 0.00 3.05 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 81 I 7.71 3.56 1.67 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.78 0.88 0.00 0.00 82 D 8.20 4.51 0.00 2.82 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 83 Q 7.71 4.47 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.79 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 84 L 7.55 4.03 0.00 1.53 1.67 0.79 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.11 4.35 0.00 2.67 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 N 8.09 4.82 0.00 2.72 2.67 0.00 0.00 7.07 7.87 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 87 P 0.00 4.22 0.00 2.27 2.11 0.00 3.67 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 88 D 8.18 4.47 0.00 2.87 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 89 D 8.61 4.38 0.00 2.83 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.18 3.95 0.00 1.89 1.72 0.85 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.97 3.38 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 0.46 0.00 0.00 0.38 0.00 0.00 92 C 8.14 4.31 0.00 3.21 3.25 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 93 V 7.82 3.70 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 0.83 0.00 0.00 1.35 0.00 0.00 94 V 8.17 3.77 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 0.90 0.00 0.00 0.42 0.00 0.00 95 E 8.61 3.96 0.00 2.13 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 96 K 7.83 3.77 0.00 1.78 1.64 0.00 0.61 0.00 0.00 1.03 0.00 0.00 2.69 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.23 1.39 7.81 97 F 8.37 4.66 0.00 3.38 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 98 A 8.47 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 99 V 7.92 3.53 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 1.01 0.00 0.00 0.95 0.00 0.00 100 N 8.00 4.34 0.00 3.08 2.88 0.00 0.00 7.08 8.56 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 0.00 101 H 8.17 4.19 0.00 3.27 3.42 0.00 5.82 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 0.00 102 I 8.29 3.71 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.74 0.90 0.00 0.00 103 T 7.80 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 1.20 0.00 0.00 104 R 7.15 4.25 0.00 1.84 1.73 0.00 3.29 0.00 0.00 3.41 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 105 K 7.89 3.82 0.00 1.95 1.97 0.00 1.73 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.59 7.81 106 I 7.56 3.98 1.98 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 1.01 0.00 0.00 107 S 8.41 4.52 0.00 4.08 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 0.00 108 A 8.53 4.00 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 0.00 109 A 7.92 4.01 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 0.00 110 E 8.52 4.16 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 111 F 8.79 4.13 0.00 3.22 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 0.00 112 G 8.39 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.01 4.13 0.00 2.00 2.03 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.72 7.81 114 I 7.68 3.58 1.56 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 1.30 1.33 0.68 0.00 0.00 115 N 8.21 4.44 0.00 2.94 2.88 0.00 0.00 6.71 6.95 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 0.00 116 G 7.61 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 0.00 117 P 0.00 4.21 0.00 2.16 2.13 0.00 3.66 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 2.01 2.11 0.00 118 I 7.92 3.51 1.96 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 1.19 0.68 0.75 0.00 0.00 119 K 8.26 3.94 0.00 1.92 1.98 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.54 7.81 120 K 8.10 3.95 0.00 1.95 1.80 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.58 7.81 121 V 7.99 3.51 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.86 0.00 0.00 122 L 8.16 3.98 0.00 1.95 2.03 0.98 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.54 4.28 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 0.00 124 S 8.09 4.20 0.00 4.03 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 0.00 125 K 7.21 4.41 0.00 2.14 1.98 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.51 7.81 126 N 8.21 4.13 0.00 2.76 2.63 0.00 0.00 6.90 6.35 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 0.00 127 F 8.45 4.55 0.00 3.20 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.60 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.81 4.51 0.00 2.82 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 0.00 130 K 8.19 3.77 0.00 1.72 1.57 0.00 1.55 0.00 0.00 1.68 0.00 0.00 2.13 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.09 1.35 7.81 131 Y 8.07 4.21 0.00 3.46 3.28 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 0.00 132 A 8.41 4.21 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 0.00 133 N 8.84 4.34 0.00 2.90 2.89 0.00 0.00 6.89 6.72 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 0.00 134 A 7.95 3.95 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 0.00 135 W 8.59 3.96 0.00 3.59 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.52 4.12 1.45 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 0.00 0.00 0.00 137 K 7.58 3.94 0.00 1.79 1.82 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.58 7.81 138 L 7.62 3.93 0.00 1.46 1.72 0.61 1.09 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 0.00 139 V 8.28 3.76 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 1.31 0.00 0.00 1.15 0.00 0.00 140 A 8.13 4.51 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 0.00 141 V 7.30 3.40 1.92 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 0.59 0.00 0.00 0.84 0.00 0.00 142 V 7.45 3.46 1.79 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 0.20 0.00 0.00 0.76 0.00 0.00 143 Q 8.24 3.87 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.68 2.72 0.00 144 A 7.92 4.02 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 0.00 145 A 7.58 4.28 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 0.00 146 L 7.40 4.08 0.00 1.75 1.53 0.63 0.60 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