NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 S 4.4744 8.1814 115.4192 57.8912 64.6806 174.5245 18 G 3.4059 8.5304 109.0219 46.8036 0.0000 174.3446 19 L 3.9386 8.6808 123.4607 58.1075 42.5157 176.9144 20 E 3.9671 8.1136 118.3859 59.8067 29.4642 179.2274 21 D 4.3803 7.8716 119.5647 56.8839 40.8177 179.2035 22 K 4.0331 8.1735 118.8827 59.1437 32.0225 179.6809 23 V 3.5162 7.9590 119.0735 65.9913 31.3380 178.3096 24 S 3.7325 8.2882 116.6775 61.7172 62.9666 177.1456 25 K 4.6219 8.4400 129.0067 58.9753 31.4770 181.1364 26 Q 4.1329 8.3454 120.6501 59.0460 28.9305 178.1261 27 L 4.0135 7.8177 119.9980 57.9441 41.7323 179.3863 28 E 4.0768 8.7222 119.0785 59.3865 29.1996 179.3289 29 S 4.1899 7.9607 113.1373 61.6100 62.9196 176.0887 30 K 4.3906 7.7618 118.2033 55.3621 31.7489 177.1753 31 G 3.9649 8.2322 107.1345 46.4683 0.0000 173.8837 32 I 4.1553 7.9938 120.6006 59.9809 38.0109 175.6963 33 K 4.4550 8.4174 125.8987 55.1039 33.7319 175.2134 34 F 4.9563 7.2931 116.8696 55.4686 40.6057 173.0954 35 E 4.3785 8.9339 123.2074 55.1084 30.1955 174.7108 36 Y 4.7236 8.8181 127.9525 56.7606 39.3015 174.8554 37 E 3.6394 8.3961 129.1840 57.4242 27.1226 175.3345 38 E 4.1210 8.2696 118.8249 56.4940 30.9683 175.5772 39 W 4.7545 7.9924 117.0050 54.4964 31.7693 174.6829 40 K 4.5564 8.7135 121.5361 54.6416 33.4391 175.8600 41 V 4.3070 8.2884 123.1346 60.6062 32.4528 173.5184 42 P 4.6796 0.0000 0.0000 62.4906 32.0919 174.9966 43 Y 4.8917 7.9440 118.3139 55.9460 40.7534 173.8857 44 V 4.1710 8.3088 119.6557 60.9902 33.8149 174.7423 45 I 4.3123 8.0745 127.9121 59.0810 37.5327 174.0027 46 P 4.3308 0.0000 0.0000 61.9991 31.8422 176.4573 47 A 4.2118 8.4006 124.0975 52.6315 18.8947 177.0459 48 S 4.7484 8.1648 112.9199 56.6210 66.3270 173.1127 49 N 4.9209 8.3766 118.4189 52.4334 39.9881 174.1128 50 H 4.9270 8.2747 117.5220 54.9987 33.1549 172.6078 51 T 4.7926 8.2020 109.4163 60.1080 71.6037 172.6082 52 Y 4.7598 8.4727 122.9415 56.0851 41.5134 175.0300 53 T 4.1858 7.7552 122.8477 60.7659 69.7376 172.3104 54 P 4.0817 0.0000 0.0000 62.2935 32.1328 176.9572 55 D 4.1670 8.5218 120.9017 56.5921 41.2234 177.0365 56 F 4.9300 8.4773 116.2889 55.3239 42.6884 173.6013 57 L 4.7859 8.4106 124.0468 53.1049 44.1456 176.3133 58 L 4.4095 8.5627 126.6665 53.3541 42.5626 176.3819 59 P 4.2066 0.0000 0.0000 65.5538 31.4864 177.2278 60 N 4.5341 8.0855 113.6915 53.0252 37.5524 176.2319 61 G 3.9089 8.1832 107.7817 45.0540 0.0000 173.5694 62 I 4.1246 7.6785 121.7838 60.5625 38.6340 175.0284 63 F 5.1093 9.2433 126.3354 56.3661 41.0846 175.0507 64 V 5.0381 9.2969 122.3037 61.0563 34.8436 173.8977 65 K 4.9711 9.2612 129.1888 54.8122 34.7411 174.6259 66 T 5.0101 9.2268 118.0445 60.4813 70.8584 174.3483 67 K 4.3458 8.9898 122.9905 56.6713 36.5251 174.7555 68 G 3.8185 9.2923 113.6588 46.4662 0.0000 175.0001 69 L 4.4739 8.9317 118.8922 54.9406 43.6544 176.2770 70 W 5.1962 9.0254 134.7048 54.9315 31.1324 174.7304 71 E 4.1910 8.0897 123.6229 54.7241 31.4043 176.6468 72 S 3.7641 8.4235 113.8331 62.0628 62.1079 175.9772 73 D 4.2240 7.8687 120.6175 57.4428 40.4881 178.4268 74 D 4.2732 7.7507 118.8969 57.2163 40.9007 178.7914 75 R 3.1771 7.3097 118.6115 58.8915 29.8293 179.3042 76 K 3.9213 7.9570 118.3535 59.3915 31.9672 179.5630 77 K 3.8438 8.0842 118.8641 59.6443 31.9274 178.8557 78 H 3.8869 8.4760 118.8312 59.2204 29.7651 177.3986 79 L 4.0764 7.9146 120.8132 57.6251 41.3338 179.4270 80 L 3.9497 8.1117 119.1480 57.8793 41.6002 179.6215 81 I 3.6896 7.8647 119.8163 64.4892 36.7887 178.7626 82 R 3.9313 7.8078 117.7725 59.1331 29.9390 178.4164 83 E 4.0520 8.1584 118.3679 59.2683 29.7857 178.3953 84 Q 4.2197 8.1898 116.1429 56.9730 30.6260 176.0413 85 H 4.9248 8.1557 117.1131 53.3072 29.4641 172.3499 86 P 4.3654 0.0000 0.0000 65.1986 31.7492 178.3871 87 E 4.1599 8.0261 117.2197 57.9906 29.8796 176.9894 88 L 4.1650 7.6757 119.1412 54.4977 42.3114 176.3458 89 D 4.8108 8.6353 122.0704 52.5778 42.5172 173.3842 90 I 5.0135 8.1945 124.9708 59.4069 39.1921 175.1863 91 R 4.8497 9.2759 125.6960 54.3461 34.1331 174.6951 92 I 4.9170 8.6152 120.4501 59.5294 40.9137 174.8951 93 V 4.7739 8.5828 126.1760 61.3536 33.5355 174.6098 94 F 5.3421 9.1402 127.0888 56.3306 40.9113 177.3645 95 S 4.2825 8.9987 117.8729 61.5782 63.5413 175.0826 96 S 4.5153 8.0123 115.3469 57.4106 63.5929 174.2766 97 S 3.8726 9.8736 123.6958 59.4795 63.1824 176.0827 98 R 4.0114 7.3344 118.5734 57.7955 30.3825 177.1322 99 T 3.6009 7.0429 116.1263 63.3643 68.8037 173.9899 100 K 4.3727 8.0311 124.8871 55.8629 32.8680 176.9536 101 L 4.2470 8.2596 123.1541 58.2811 41.9555 177.2302 102 Y 4.6238 6.8320 112.7896 55.4899 39.9947 173.0296 103 K 3.9317 8.8722 122.0015 58.5738 32.2924 176.8111 104 G 4.0084 8.9128 114.9639 45.3065 0.0000 173.4911 105 S 3.9892 7.5649 114.7124 57.4311 62.6278 172.1057 106 P 4.4724 0.0000 0.0000 63.4677 32.0969 175.6832 107 T 4.6527 7.7375 117.7865 62.1755 70.2049 174.4982 108 S 4.8648 8.8383 121.4222 57.4405 65.8577 175.0157 109 Y 4.5415 8.3243 120.9095 61.3638 37.4968 179.4723 110 G 2.9106 7.9266 106.4435 47.7348 0.0000 175.6113 111 E 4.0640 8.3191 121.4068 58.8931 29.4285 179.2698 112 F 4.1363 8.5156 120.8135 61.5089 39.5137 176.9828 113 C 4.3664 8.5970 116.5411 62.8948 28.0538 175.9077 114 E 4.0991 8.4128 120.1316 59.5160 28.9136 179.3850 115 K 3.9322 8.0979 118.2665 59.0324 32.1821 177.5078 116 H 4.7407 7.7052 113.8545 54.5988 28.9970 174.9041 117 G 3.9165 7.7899 107.6401 46.6904 0.0000 173.7544 118 I 4.4658 8.0980 120.9967 59.4147 38.5799 176.0902 119 K 4.5747 8.6869 127.1419 56.2908 33.2444 176.0374 120 F 5.8634 8.6774 118.0046 56.1686 41.6008 172.3839 121 A 4.5647 9.3275 120.0711 51.1534 23.1341 174.4311 122 D 5.3187 8.3141 117.7916 54.1355 43.2790 176.3277 123 K 4.3521 9.6153 127.9868 56.6417 31.2149 176.4068 124 L 4.7570 7.1264 114.7046 52.4822 45.6467 176.2465 125 I 3.4654 7.9286 121.8588 60.2044 37.8307 174.7401 126 P 4.0193 0.0000 0.0000 62.1420 32.1424 177.3340 127 A 3.9556 8.4660 123.6775 55.3651 18.1036 179.8938 128 E 3.9817 8.1242 115.6999 59.4148 29.7981 179.3849 129 W 4.6352 8.0416 118.4040 60.0982 28.9877 178.5565 130 I 3.8022 7.9350 117.7277 64.2476 36.6317 177.6954 131 K 4.2419 7.8292 116.3846 56.2856 32.6030 177.3046 132 E 4.1271 7.5274 119.8533 55.2400 30.0184 175.1543 133 P 4.2816 0.0000 0.0000 62.5509 31.7830 175.9909 134 K 4.2358 8.6549 123.0253 57.2345 32.4644 175.4702 135 K 4.8133 8.8749 127.5879 55.3816 36.2530 176.1562 136 E 4.2478 8.7354 118.8221 56.4322 30.4167 176.4486 137 V 4.0966 8.1884 124.2177 59.7838 33.3465 175.1872 138 P 4.6541 0.0000 0.0000 61.9841 29.6529 176.7968 139 F 4.3367 7.8850 123.6971 60.6298 39.5169 176.9211 140 D 4.6922 8.2202 118.6584 54.7906 39.2984 176.7037 141 R 4.5367 8.0349 117.4844 55.8574 31.3998 174.9010 142 L 4.8147 7.5672 117.0699 52.6783 44.5613 175.6380 143 K 4.6878 8.0913 117.7296 54.5389 35.6848 176.6996 144 R 4.1338 8.6121 125.2347 56.2794 30.8943 177.0625 145 K 4.2018 8.5653 124.0817 54.9746 31.6682 176.2256 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 17 S 8.18 4.47 0.00 4.03 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 18 G 8.53 3.41 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 19 L 8.68 3.94 0.00 1.76 1.68 0.91 0.98 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 20 E 8.11 3.97 0.00 2.30 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 2.44 2.43 0.00 21 D 7.87 4.38 0.00 2.94 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 22 K 8.17 4.03 0.00 1.79 1.83 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.77 7.81 23 V 7.96 3.52 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 0.95 0.00 0.00 0.93 0.00 0.00 24 S 8.29 3.73 0.00 3.75 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 25 K 8.44 4.62 0.00 1.74 1.86 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.18 7.81 26 Q 8.35 4.13 0.00 2.15 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 27 L 7.82 4.01 0.00 1.81 1.85 0.47 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.72 4.08 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.83 0.00 29 S 7.96 4.19 0.00 4.03 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 30 K 7.76 4.39 0.00 1.81 1.89 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.60 7.81 31 G 8.23 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 32 I 7.99 4.16 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 1.23 0.91 1.01 0.00 0.00 33 K 8.42 4.45 0.00 1.64 1.67 0.00 1.20 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.25 1.34 7.81 34 F 7.29 4.96 0.00 3.22 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 35 E 8.93 4.38 0.00 2.13 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 0.00 2.47 2.42 0.00 36 Y 8.82 4.72 0.00 3.33 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 37 E 8.40 3.64 0.00 1.72 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 1.81 1.47 0.00 38 E 8.27 4.12 0.00 1.91 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 2.35 1.47 0.00 39 W 7.99 4.75 0.00 3.32 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 40 K 8.71 4.56 0.00 1.79 1.77 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.37 7.81 41 V 8.29 4.31 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 0.87 0.00 0.00 0.98 0.00 0.00 42 P 0.00 4.68 0.00 2.13 1.99 0.00 3.82 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 43 Y 7.94 4.89 0.00 3.00 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 44 V 8.31 4.17 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 0.86 0.00 0.00 0.91 0.00 0.00 45 I 8.07 4.31 1.84 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 1.56 0.62 0.94 0.00 0.00 46 P 0.00 4.33 0.00 2.05 2.00 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 47 A 8.40 4.21 1.24 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 0.00 0.00 0.00 48 S 8.16 4.75 0.00 3.90 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 49 N 8.38 4.92 0.00 2.68 2.75 0.00 0.00 6.74 8.16 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 50 H 8.27 4.93 0.00 3.07 3.21 0.00 5.84 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.20 4.79 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 52 Y 8.47 4.76 0.00 2.74 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 53 T 7.76 4.19 4.07 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 1.09 0.00 0.00 54 P 0.00 4.08 0.00 2.21 2.05 0.00 3.45 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.84 0.00 55 D 8.52 4.17 0.00 2.49 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 0.00 0.00 0.00 56 F 8.48 4.93 0.00 3.15 2.91 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 0.00 0.00 0.00 57 L 8.41 4.79 0.00 1.16 1.43 -0.14 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.56 4.41 0.00 1.91 1.66 0.93 0.85 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 59 P 0.00 4.21 0.00 2.03 2.12 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 2.03 2.08 0.00 60 N 8.09 4.53 0.00 2.96 3.04 0.00 0.00 6.51 6.92 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 61 G 8.18 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.68 4.12 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.71 0.76 0.00 0.00 63 F 9.24 5.11 0.00 3.14 2.97 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 0.00 0.00 0.00 64 V 9.30 5.04 2.38 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 1.27 0.00 0.00 1.17 0.00 0.00 65 K 9.26 4.97 0.00 1.99 1.68 0.00 1.75 0.00 0.00 1.54 0.00 0.00 3.08 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.54 1.41 7.81 66 T 9.23 5.01 4.31 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 1.44 0.00 0.00 67 K 8.99 4.35 0.00 1.26 1.72 0.00 2.01 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.45 0.00 0.00 0.00 0.00 1.20 1.09 7.81 68 G 9.29 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 69 L 8.93 4.47 0.00 1.74 1.72 1.09 0.96 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 70 W 9.03 5.20 0.00 2.91 1.93 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 E 8.09 4.19 0.00 1.96 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 2.45 2.32 0.00 72 S 8.42 3.76 0.00 3.75 3.75 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 73 D 7.87 4.22 0.00 2.65 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 74 D 7.75 4.27 0.00 2.57 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 75 R 7.31 3.18 0.00 1.34 1.20 0.00 2.21 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 0.50 0.50 0.00 76 K 7.96 3.92 0.00 1.82 1.78 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.53 7.81 77 K 8.08 3.84 0.00 1.82 1.71 0.00 1.61 0.00 0.00 1.52 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.54 7.81 78 H 8.48 3.89 0.00 3.54 3.58 0.00 5.78 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 79 L 7.91 4.08 0.00 1.87 1.70 0.85 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.11 3.95 0.00 1.81 1.68 0.87 0.79 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 81 I 7.86 3.69 1.80 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.89 0.83 0.00 0.00 82 R 7.81 3.93 0.00 1.94 2.00 0.00 3.35 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 83 E 8.16 4.05 0.00 2.07 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 0.00 2.31 2.48 0.00 84 Q 8.19 4.22 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.04 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 85 H 8.16 4.92 0.00 3.22 3.11 0.00 5.62 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.37 0.00 2.17 2.18 0.00 3.74 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 1.98 1.98 0.00 87 E 8.03 4.16 0.00 1.98 2.03 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 2.31 2.33 0.00 88 L 7.68 4.17 0.00 1.77 1.55 0.69 0.67 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 89 D 8.64 4.81 0.00 2.67 2.54 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 90 I 8.19 5.01 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.74 1.09 0.00 0.00 91 R 9.28 4.85 0.00 1.28 1.28 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.29 0.00 92 I 8.62 4.92 1.27 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.75 -0.57 0.00 0.00 93 V 8.58 4.77 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 1.04 0.00 0.00 0.94 0.00 0.00 94 F 9.14 5.34 0.00 3.19 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 95 S 9.00 4.28 0.00 3.90 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 96 S 8.01 4.52 0.00 3.82 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 97 S 9.87 3.87 0.00 3.69 4.31 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 98 R 7.33 4.01 0.00 1.80 1.94 0.00 3.32 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 99 T 7.04 3.60 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 0.82 0.00 0.00 100 K 8.03 4.37 0.00 1.57 1.58 0.00 1.77 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.30 1.36 7.81 101 L 8.26 4.25 0.00 1.22 1.80 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 6.83 4.62 0.00 3.12 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 0.00 103 K 8.87 3.93 0.00 1.76 1.88 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.56 7.81 104 G 8.91 4.01 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 0.00 105 S 7.56 3.99 0.00 2.72 3.12 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 0.00 106 P 0.00 4.47 0.00 2.18 2.10 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 107 T 7.74 4.65 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 1.30 0.00 0.00 108 S 8.84 4.86 0.00 4.07 3.89 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 0.00 109 Y 8.32 4.54 0.00 2.47 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 0.00 0.00 0.00 0.00 110 G 7.93 2.91 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 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.32 4.06 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 112 F 8.52 4.14 0.00 3.26 3.41 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 0.00 113 C 8.60 4.37 0.00 2.93 3.46 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 0.00 114 E 8.41 4.10 0.00 2.29 2.08 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 2.52 2.71 0.00 115 K 8.10 3.93 0.00 1.65 1.87 0.00 1.69 0.00 0.00 1.51 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.89 1.28 7.81 116 H 7.71 4.74 0.00 2.94 3.20 0.00 6.02 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 7.79 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 0.00 118 I 8.10 4.47 2.08 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.77 1.00 0.00 0.00 119 K 8.69 4.57 0.00 1.47 1.53 0.00 1.42 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.41 7.81 120 F 8.68 5.86 0.00 3.35 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 0.00 121 A 9.33 4.56 0.72 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 0.00 0.00 122 D 8.31 5.32 0.00 2.58 2.62 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 0.00 123 K 9.62 4.35 0.00 1.87 1.98 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.54 7.81 124 L 7.13 4.76 0.00 1.43 1.36 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 125 I 7.93 3.47 1.71 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.32 0.89 0.00 0.00 126 P 0.00 4.02 0.00 1.21 1.64 0.00 2.20 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.36 0.00 127 A 8.47 3.96 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.12 3.98 0.00 2.04 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 2.33 2.47 0.00 129 W 8.04 4.64 0.00 3.44 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 0.00 130 I 7.94 3.80 2.04 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.51 0.91 0.00 0.00 131 K 7.83 4.24 0.00 1.79 1.87 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.48 7.81 132 E 7.53 4.13 0.00 2.06 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 2.38 2.64 0.00 133 P 0.00 4.28 0.00 2.17 2.07 0.00 3.79 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 134 K 8.65 4.24 0.00 1.79 1.78 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.46 7.81 135 K 8.87 4.81 0.00 1.72 1.71 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.33 7.81 136 E 8.74 4.25 0.00 1.78 1.78 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 2.23 1.88 0.00 137 V 8.19 4.10 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 0.17 0.00 0.00 0.76 0.00 0.00 138 P 0.00 4.65 0.00 2.23 2.17 0.00 3.64 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 139 F 7.88 4.34 0.00 3.27 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 0.00 140 D 8.22 4.69 0.00 2.82 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 0.00 141 R 8.03 4.54 0.00 1.84 2.01 0.00 3.26 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 142 L 7.57 4.81 0.00 1.74 1.69 0.76 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 143 K 8.09 4.69 0.00 1.70 1.67 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.41 7.81 144 R 8.61 4.13 0.00 1.78 1.83 0.00 3.21 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 145 K 8.57 4.20 0.00 1.82 1.57 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.36 1.01 7.81