NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1612 8.1727 122.0488 56.2839 34.1086 174.0099 2 V 4.5437 8.1652 127.1225 60.7577 32.2859 174.5397 3 F 4.3178 10.0462 129.1328 57.5446 40.2182 174.8892 4 E 4.2752 8.7362 120.9882 55.4901 31.0402 176.7630 5 R 3.3003 8.9887 120.9934 60.9093 29.9657 179.4310 6 C 4.3515 8.0159 115.4054 59.5715 40.0224 175.8103 7 E 3.8976 8.0783 120.8373 59.2132 29.2909 178.4208 8 L 3.5685 7.9234 120.1507 57.8120 42.0428 178.6161 9 A 3.9246 7.8084 120.7123 55.4513 18.3367 179.9209 10 R 3.9026 8.0991 116.4439 59.5490 30.1942 179.5310 11 T 3.8521 7.8655 115.6515 66.6341 68.5091 176.8044 12 L 3.8744 8.1232 121.3084 57.4694 41.5581 179.4826 13 K 3.9105 7.9932 119.7087 59.5394 31.9440 178.9317 14 R 3.9790 7.7987 117.8328 58.8115 29.9977 177.4184 15 L 4.4086 7.4080 116.5040 53.8697 41.7535 176.6570 16 G 3.8645 7.7545 106.7041 47.0908 0.0000 175.2905 17 M 3.9103 7.7561 121.0924 56.3502 32.4534 175.9450 18 D 4.4313 8.0230 118.2051 55.7127 41.2991 176.0739 19 G 3.9427 9.4879 116.0211 45.3108 0.0000 171.5902 20 Y 4.1770 8.1695 121.9146 58.7895 38.8219 176.2909 21 R 3.4035 9.0193 126.9493 57.3295 27.7392 177.2728 22 G 3.8087 8.3087 103.2096 45.7287 0.0000 173.9468 23 I 4.1403 7.4720 121.7616 58.8590 38.2664 175.7982 24 S 4.5778 8.3303 120.4173 57.7199 63.9383 174.7705 25 L 4.1971 9.0002 124.0420 58.8028 41.7427 179.4990 26 A 4.1374 8.1800 119.8555 55.3073 18.2946 179.2148 27 N 4.4812 8.2238 115.2369 56.1999 38.6124 177.7401 28 W 4.2601 7.9701 120.0377 59.8510 29.1552 178.3846 29 M 4.1666 8.4987 118.9405 58.5927 31.4490 177.9043 30 C 3.1976 8.0313 118.5677 59.1233 44.8857 175.3918 31 L 3.9621 8.1133 121.6037 58.2436 41.7587 178.7939 32 A 4.0153 8.3012 120.7473 54.8984 18.3011 179.3861 33 K 2.8149 8.1528 118.1183 59.3946 32.0319 179.1642 34 W 4.2264 7.6118 117.3162 59.1637 29.0223 178.4449 35 E 4.3257 8.2713 118.5750 58.6922 28.9970 177.7857 36 S 4.5282 7.9099 109.5583 56.6529 64.4508 174.5201 37 G 3.2780 8.2485 108.8235 46.8906 0.0000 173.3220 38 Y 3.6510 7.6478 113.6913 58.7123 34.9104 168.6289 39 N 5.2973 7.6441 118.0984 51.9363 40.2139 175.6042 40 T 4.0534 8.9178 117.4418 63.9839 69.1919 175.9567 41 R 4.4612 7.9307 116.2906 55.6390 30.0261 176.1557 42 A 4.3234 7.6580 121.6445 52.8018 19.2335 177.1318 43 T 5.0596 8.3767 111.3944 60.2342 72.4814 173.4894 44 N 4.8784 8.7048 120.8403 52.2160 43.0407 172.9671 45 Y 4.4924 8.7915 126.1257 57.4312 40.7194 174.0159 46 N 4.7968 8.5042 125.0737 51.2424 38.3820 175.4087 47 A 3.6674 8.2676 127.4938 54.7020 18.8672 179.3287 48 G 3.7147 7.9741 104.1987 48.0057 0.0000 173.8004 49 D 4.7064 7.3795 115.1341 52.0045 40.3331 175.4701 50 R 4.0286 8.0301 116.0240 56.8548 28.2031 175.8654 51 S 4.9716 7.6350 111.3427 57.0597 66.3794 172.7575 52 T 5.0773 8.7107 115.8893 61.9636 72.7985 172.7678 53 D 5.3571 8.8531 125.3035 53.2922 43.0485 175.0884 54 Y 5.0861 9.1862 121.0704 57.4528 41.7071 177.2947 55 G 4.4262 9.0820 111.8904 46.0562 0.0000 173.4657 56 I 3.8547 8.2198 116.8052 62.9592 37.8161 177.1140 57 F 4.7315 7.9648 115.3885 56.4372 39.8330 175.3526 58 Q 3.6295 7.9095 119.1418 57.3422 26.4494 173.6625 59 M 4.7122 8.4191 118.0292 54.9216 34.3575 177.1393 60 N 5.3565 9.3420 122.5626 53.3663 40.0160 175.6968 61 S 4.6843 9.1745 121.2159 60.2022 63.1227 175.3810 62 R 3.7518 8.6883 121.9185 58.5197 30.4694 177.6220 63 Y 4.1503 7.5426 114.1516 58.4609 40.7634 177.1745 64 W 4.9421 8.0851 118.9516 57.9777 30.4072 173.6903 65 C 5.5030 7.8717 110.6954 53.6982 45.7917 171.8183 66 N 4.7965 9.0011 119.7829 52.1181 39.7746 174.8063 67 D 4.8219 8.5916 123.0923 52.2859 40.7910 177.1433 68 G 4.1809 8.3571 110.8246 45.7375 0.0000 174.7317 69 K 4.3204 7.8687 115.5706 56.7911 33.1148 176.2771 70 T 4.3881 7.6997 117.3776 61.7289 69.1834 172.9490 71 P 4.2653 0.0000 0.0000 63.6896 32.1369 176.3108 72 G 3.8977 8.4175 108.6201 46.4607 0.0000 172.6798 73 A 4.6476 7.6179 118.2863 50.4660 21.3791 177.5500 74 V 4.3397 8.2993 112.3985 59.2328 35.5537 176.0966 75 N 4.9844 8.0530 117.3723 52.0085 37.6217 174.4701 76 A 4.0051 9.0774 125.0154 54.9847 19.1405 178.4863 77 C 4.4810 8.3053 111.0923 57.3064 41.0123 173.0183 78 H 4.1041 8.0030 116.2315 56.7059 26.3194 174.2288 79 L 4.8463 8.2209 117.2422 52.8667 46.3505 176.7479 80 S 4.6744 8.3300 115.1076 58.0553 63.3306 176.0436 81 C 4.1589 8.6498 123.5153 59.5831 40.3159 176.3781 82 S 3.8936 7.7515 114.8005 61.2133 61.6422 175.9544 83 A 4.1049 7.6978 122.6914 54.4902 17.8981 177.9427 84 L 4.4551 7.7778 116.2789 55.0864 41.7060 177.6207 85 L 5.0301 7.7898 117.0562 54.5372 42.4059 176.7331 86 Q 4.3780 7.7951 117.6815 55.3605 29.5590 175.9750 87 D 4.4125 8.5105 119.7928 56.9639 41.1808 176.6884 88 N 4.6010 8.0293 118.2359 53.0794 39.3132 174.6657 89 I 4.2325 8.4457 118.8027 61.0005 38.0338 176.9998 90 A 3.9376 8.4219 124.8542 56.0017 18.1378 180.1052 91 D 4.2903 8.0710 116.4076 57.4584 40.9367 178.6633 92 A 4.0787 8.0081 120.8383 55.1745 18.3696 179.7565 93 V 3.4054 8.0973 116.7121 65.9793 31.6021 178.1281 94 A 3.8455 8.0013 120.5883 55.2743 18.1749 178.8432 95 C 4.2382 8.4638 116.9054 59.5991 37.9127 175.6015 96 A 3.9280 8.1409 122.6255 55.0180 17.6288 179.7128 97 K 3.7624 7.6267 116.1271 59.4694 32.3777 179.1948 98 R 4.0647 7.6707 118.5188 59.3416 30.0254 178.5484 99 V 2.7205 7.4777 117.9836 65.8890 31.1825 177.9225 100 V 3.9253 7.4455 108.1771 62.5130 31.6810 177.5944 101 R 4.1480 7.7034 118.0803 57.1042 30.4995 175.8623 102 D 4.7485 7.3699 118.4887 53.0369 41.9408 175.3409 103 P 4.2614 0.0000 0.0000 66.2194 31.1915 177.9699 104 Q 4.0155 8.1470 117.5014 56.5375 30.1448 177.2139 105 G 3.7286 7.7145 106.4808 46.2415 0.0000 176.6263 106 I 3.5368 7.7733 121.1527 63.4793 37.9101 177.8011 107 R 4.2505 7.2213 118.0413 57.8867 29.9692 177.4881 108 A 3.9251 7.6180 120.6653 54.1785 18.7491 177.6407 109 W 4.7135 8.1922 116.5211 55.4322 29.9973 177.5298 110 V 3.7447 8.7510 123.6412 66.0217 30.9096 177.6568 111 A 4.0789 8.3029 120.1396 54.7454 18.1127 179.2376 112 W 3.9862 8.4049 126.9138 60.6237 30.5608 178.4505 113 R 3.6976 8.1416 116.5868 59.3017 29.6736 178.3825 114 N 4.3540 7.8880 114.9858 55.6395 38.7163 176.8825 115 R 4.0541 7.8300 116.4178 55.9338 31.4048 176.1259 116 C 4.5669 7.6374 115.4191 57.7177 42.6726 174.4209 117 Q 3.2038 6.5321 119.0308 57.3008 28.7092 175.3625 118 N 4.1895 8.6972 120.0237 54.1444 36.2179 173.7227 119 R 4.5037 7.3028 115.8380 54.0389 33.0934 175.6221 120 D 4.5614 8.4294 118.8429 54.0668 40.3361 175.7700 121 V 4.5621 8.1827 118.9080 61.3674 32.3506 178.4358 122 R 4.0448 8.0755 122.4112 59.3882 29.9107 178.5833 123 Q 3.9637 8.1560 116.9353 59.7904 27.9517 178.6035 124 Y 4.3689 7.7261 117.2067 59.9008 38.3191 177.0492 125 V 4.3856 7.8011 110.8535 60.7023 33.0687 175.5080 126 Q 4.1977 7.5689 119.4957 57.2407 28.7423 177.0488 127 G 3.9641 8.9194 110.3841 45.9781 0.0000 174.6584 128 C 4.3848 8.0115 116.0090 57.2696 40.5397 174.1060 129 G 3.8367 8.2083 107.1421 46.6789 0.0000 174.0172 130 V 4.0078 7.8470 118.0379 61.0859 32.1043 175.8212 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 K 8.17 4.16 0.00 1.97 1.61 0.00 1.26 0.00 0.00 0.92 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.84 1.11 7.81 2 V 8.17 4.54 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 0.90 0.00 0.00 0.94 0.00 0.00 3 F 10.05 4.32 0.00 2.86 2.84 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 4 E 8.74 4.28 0.00 1.93 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 2.31 2.25 0.00 5 R 8.99 3.30 0.00 1.94 1.91 0.00 3.42 0.00 0.00 3.46 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 6 C 8.02 4.35 0.00 3.00 3.11 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 0.00 0.00 0.00 0.00 7 E 8.08 3.90 0.00 2.06 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 0.00 2.55 2.41 0.00 8 L 7.92 3.57 0.00 1.36 1.36 -0.17 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.81 3.92 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 10 R 8.10 3.90 0.00 1.87 1.99 0.00 3.13 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 11 T 7.87 3.85 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 1.19 0.00 0.00 12 L 8.12 3.87 0.00 1.58 1.57 0.93 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.99 3.91 0.00 1.95 1.92 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14 R 7.80 3.98 0.00 1.98 2.06 0.00 3.30 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 15 L 7.41 4.41 0.00 1.67 1.54 0.83 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.75 3.86 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 0.00 0.00 0.00 17 M 7.76 3.91 0.00 1.23 1.92 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.22 0.00 18 D 8.02 4.43 0.00 2.67 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 19 G 9.49 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 20 Y 8.17 4.18 0.00 3.34 3.20 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 21 R 9.02 3.40 0.00 1.91 1.85 0.00 3.24 0.00 0.00 2.98 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.36 0.00 22 G 8.31 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.47 4.14 1.79 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.67 -0.32 0.00 0.00 24 S 8.33 4.58 0.00 4.06 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 25 L 9.00 4.20 0.00 2.10 1.83 0.98 1.18 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 26 A 8.18 4.14 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 27 N 8.22 4.48 0.00 2.81 2.75 0.00 0.00 6.92 7.84 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 28 W 7.97 4.26 0.00 3.52 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 29 M 8.50 4.17 0.00 2.17 2.36 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.91 0.00 30 C 8.03 3.20 0.00 2.52 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 31 L 8.11 3.96 0.00 1.86 1.83 0.64 -0.57 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 32 A 8.30 4.02 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.15 2.81 0.00 1.45 1.70 0.00 0.67 0.00 0.00 0.98 0.00 0.00 2.53 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.02 0.21 7.81 34 W 7.61 4.23 0.00 3.35 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 35 E 8.27 4.33 0.00 2.04 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 2.58 2.43 0.00 36 S 7.91 4.53 0.00 4.07 4.14 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 37 G 8.25 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 0.00 0.00 0.00 38 Y 7.65 3.65 0.00 3.21 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 39 N 7.64 5.30 0.00 2.84 2.80 0.00 0.00 7.01 7.10 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 40 T 8.92 4.05 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 1.47 0.00 0.00 41 R 7.93 4.46 0.00 1.99 2.09 0.00 3.14 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 42 A 7.66 4.32 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 43 T 8.38 5.06 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 1.36 0.00 0.00 44 N 8.70 4.88 0.00 2.92 2.73 0.00 0.00 6.68 7.56 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 45 Y 8.79 4.49 0.00 3.03 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 46 N 8.50 4.80 0.00 2.64 2.60 0.00 0.00 6.53 7.73 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 47 A 8.27 3.67 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 48 G 7.97 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.38 4.71 0.00 2.67 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 50 R 8.03 4.03 0.00 2.05 2.18 0.00 3.12 0.00 0.00 3.20 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.53 0.00 51 S 7.63 4.97 0.00 3.97 3.90 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 52 T 8.71 5.08 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 0.61 0.00 0.00 53 D 8.85 5.36 0.00 2.69 2.74 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 54 Y 9.19 5.09 0.00 2.94 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 55 G 9.08 4.43 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 0.00 56 I 8.22 3.85 1.69 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.76 0.18 0.00 0.00 57 F 7.96 4.73 0.00 3.23 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 58 Q 7.91 3.63 0.00 2.54 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.70 0.00 59 M 8.42 4.71 0.00 2.33 2.27 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.01 2.43 0.00 60 N 9.34 5.36 0.00 3.09 3.01 0.00 0.00 6.96 7.63 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 61 S 9.17 4.68 0.00 4.06 4.42 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 62 R 8.69 3.75 0.00 1.57 1.22 0.00 2.64 0.00 0.00 2.90 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.12 0.00 63 Y 7.54 4.15 0.00 1.51 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 W 8.09 4.94 0.00 3.58 3.30 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 65 C 7.87 5.50 0.00 3.15 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 66 N 9.00 4.80 0.00 2.79 2.71 0.00 0.00 7.09 8.71 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 67 D 8.59 4.82 0.00 2.89 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 68 G 8.36 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 0.00 0.00 0.00 0.00 69 K 7.87 4.32 0.00 1.95 1.95 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 70 T 7.70 4.39 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 1.16 0.00 0.00 71 P 0.00 4.27 0.00 2.01 1.97 0.00 3.81 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 72 G 8.42 3.90 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 0.00 0.00 0.00 73 A 7.62 4.65 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 74 V 8.30 4.34 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 0.64 0.00 0.00 0.87 0.00 0.00 75 N 8.05 4.98 0.00 2.78 2.65 0.00 0.00 6.76 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 76 A 9.08 4.01 1.34 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 0.00 0.00 0.00 77 C 8.31 4.48 0.00 3.36 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 78 H 8.00 4.10 0.00 3.33 3.36 0.00 5.62 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 79 L 8.22 4.85 0.00 1.69 1.50 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.33 4.67 0.00 3.83 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 81 C 8.65 4.16 0.00 2.24 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 82 S 7.75 3.89 0.00 3.81 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 83 A 7.70 4.10 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 84 L 7.78 4.46 0.00 1.95 1.81 1.07 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.79 5.03 0.00 1.78 1.70 1.09 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.80 4.38 0.00 2.22 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.49 7.11 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 87 D 8.51 4.41 0.00 2.63 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 88 N 8.03 4.60 0.00 2.69 2.74 0.00 0.00 6.96 7.94 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 89 I 8.45 4.23 1.78 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.42 0.99 0.00 0.00 90 A 8.42 3.94 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 91 D 8.07 4.29 0.00 2.72 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.01 4.08 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 93 V 8.10 3.41 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 0.70 0.00 0.00 0.89 0.00 0.00 94 A 8.00 3.85 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 95 C 8.46 4.24 0.00 3.13 3.29 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 96 A 8.14 3.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.63 3.76 0.00 1.65 1.49 0.00 1.30 0.00 0.00 0.84 0.00 0.00 2.26 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 0.91 7.81 98 R 7.67 4.06 0.00 1.95 2.12 0.00 3.26 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.87 0.00 99 V 7.48 2.72 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 -0.21 0.00 0.00 -0.68 0.00 0.00 100 V 7.45 3.93 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 1.06 0.00 0.00 1.47 0.00 0.00 101 R 7.70 4.15 0.00 2.18 2.01 0.00 3.32 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 102 D 7.37 4.75 0.00 2.97 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 0.00 103 P 0.00 4.26 0.00 2.15 2.18 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 104 Q 8.15 4.02 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.83 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 105 G 7.71 3.73 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 0.00 106 I 7.77 3.54 0.99 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.21 -0.62 0.00 0.00 107 R 7.22 4.25 0.00 1.99 2.04 0.00 3.23 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.58 0.00 108 A 7.62 3.93 0.90 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 0.00 0.00 109 W 8.19 4.71 0.00 3.56 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 0.00 110 V 8.75 3.74 2.18 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 1.10 0.00 0.00 1.00 0.00 0.00 111 A 8.30 4.08 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 0.00 112 W 8.40 3.99 0.00 3.50 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 0.00 113 R 8.14 3.70 0.00 2.09 1.98 0.00 3.57 0.00 0.00 3.58 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.07 0.00 114 N 7.89 4.35 0.00 2.56 2.71 0.00 0.00 6.96 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 0.00 115 R 7.83 4.05 0.00 0.92 0.66 0.00 2.79 0.00 0.00 2.85 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.91 0.00 116 C 7.64 4.57 0.00 1.73 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 0.00 117 Q 6.53 3.20 0.00 0.93 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.83 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 118 N 8.70 4.19 0.00 2.80 2.82 0.00 0.00 6.85 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 0.00 119 R 7.30 4.50 0.00 1.80 1.81 0.00 3.24 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 120 D 8.43 4.56 0.00 2.64 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 0.00 121 V 8.18 4.56 2.40 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 1.02 0.00 0.00 1.06 0.00 0.00 122 R 8.08 4.04 0.00 1.94 2.02 0.00 3.31 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 123 Q 8.16 3.96 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.04 1.44 0.00 124 Y 7.73 4.37 0.00 3.25 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.80 4.39 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.06 0.00 0.00 126 Q 7.57 4.20 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.74 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 127 G 8.92 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 0.00 128 C 8.01 4.38 0.00 3.09 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 0.00 129 G 8.21 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 0.00 130 V 7.85 4.01 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 0.76 0.00 0.00 0.96 0.00 0.00