NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.2953 8.3149 121.7970 55.8318 33.2205 175.6429 7 L 4.2088 8.4120 126.3727 53.6583 42.3083 174.4184 8 H 5.0193 8.9999 116.1975 54.4503 32.4108 172.4046 9 K 4.7068 8.5946 119.3175 55.6916 33.2901 175.9458 10 E 5.0323 9.1946 123.8265 53.6521 33.1154 173.9302 11 P 5.0243 0.0000 0.0000 63.3034 32.4235 174.9099 12 A 4.9154 8.4187 121.6214 51.4297 23.0216 175.5026 13 T 4.6475 8.5895 115.1407 61.2804 72.0239 173.9876 14 L 4.1172 8.7168 128.0327 55.9433 42.3993 175.3227 15 I 4.4902 8.4661 125.8001 61.5983 38.5344 175.6118 16 K 4.5820 7.4656 118.2807 55.8450 35.5805 173.8849 17 A 4.4882 8.6684 125.5927 52.2854 19.3314 177.0170 18 I 4.2533 8.5226 123.2140 62.6453 38.9728 175.2418 19 D 4.7497 7.5489 117.2323 52.7413 44.9094 175.8534 20 G 3.8005 8.9124 108.3323 48.7070 0.0000 174.0529 21 D 5.0600 8.0869 117.2040 52.8085 41.2995 175.3169 22 T 5.1567 7.8863 114.8022 62.5146 72.3972 173.4234 23 V 4.7792 8.8221 118.5029 59.4373 36.5683 174.2708 24 K 4.9400 9.1559 126.0376 55.3894 33.6556 175.3566 25 L 5.3725 9.1731 126.7503 53.1059 46.4431 175.1132 26 M 4.8607 9.3547 122.6276 55.0026 33.7307 174.3441 27 Y 5.0460 8.8796 127.1983 56.2724 42.3887 175.3050 28 K 3.7275 9.6398 126.4403 57.3328 29.8222 176.1104 29 G 4.0230 8.7192 105.9349 45.1268 0.0000 173.9230 30 Q 4.7109 7.9200 117.4536 53.2229 31.4050 173.0307 31 P 4.9542 0.0000 0.0000 63.2691 32.1666 175.6849 32 M 4.9106 9.1629 122.3015 54.1803 37.2392 174.0658 33 T 4.6261 8.4924 118.9586 62.9968 70.4584 173.5349 34 F 5.1142 9.7536 125.5462 55.6515 41.9572 174.4057 35 R 5.0250 8.8252 123.8830 54.5269 31.9783 175.1876 36 L 4.3986 8.6643 127.4680 54.3116 42.4347 177.2854 37 L 3.8788 8.4514 124.7509 56.1098 42.2302 178.1400 38 L 3.8932 8.8665 120.9333 54.7995 39.2753 174.0005 39 V 4.9604 7.2359 110.3658 59.5161 35.5526 174.8714 40 D 4.9277 8.8587 123.3271 52.8958 43.2462 175.2692 41 C 4.7558 8.7479 121.7028 57.7243 29.5357 172.4881 42 P 4.4228 0.0000 0.0000 62.6362 31.8385 175.5507 43 E 4.3801 10.3881 123.2923 55.6193 30.6522 176.9874 44 T 4.3043 7.9901 113.8879 61.9905 70.2807 175.1064 45 K 4.4879 7.5719 120.1621 54.8239 32.2223 173.6196 46 H 4.5512 8.4959 124.1641 55.4738 31.0518 173.3882 47 P 4.1844 0.0000 0.0000 65.1077 30.6950 175.9484 48 K 4.2474 6.4822 113.6096 57.3231 33.9989 177.5017 49 K 3.9784 7.8315 124.1947 57.3517 34.4693 176.9904 50 G 3.9767 7.8082 106.4387 44.5876 0.0000 175.8334 51 V 4.1492 8.4984 129.0072 61.6690 30.9615 174.0651 52 E 4.3111 9.1567 127.4818 54.9521 31.2582 176.0456 53 K 3.9711 8.2942 123.2811 58.3284 32.5419 176.7299 54 Y 4.3209 8.1829 123.3412 59.3982 36.1079 171.0846 55 G 3.6719 8.0147 107.4183 47.5400 0.0000 174.1499 56 P 4.3110 0.0000 0.0000 64.8083 31.4713 178.7549 57 E 4.0133 8.1772 116.9785 59.2453 29.5525 178.8237 58 A 4.0191 8.6002 121.2307 55.3913 18.5261 179.7047 59 S 4.1818 8.3740 111.4000 61.3785 62.4005 176.2243 60 A 4.0748 8.2929 123.7879 54.7128 18.0592 179.4777 61 F 3.9081 8.3986 119.3861 61.9184 39.4854 177.4939 62 T 3.9561 8.2432 115.3891 66.4548 68.1737 176.5721 63 K 3.9196 8.0152 121.2879 59.5612 32.3011 179.1326 64 K 3.9744 8.1753 118.9258 59.5521 31.6821 179.1127 65 M 3.8816 7.7514 117.7277 58.4873 32.0763 178.2151 66 V 3.8906 8.0993 112.4590 63.5062 31.7303 178.3926 67 E 3.9755 8.4398 118.2587 59.0159 29.4065 177.4441 68 N 4.5832 8.0861 113.4814 53.2400 38.9956 175.1285 69 A 4.5781 7.2839 121.4080 51.4158 19.6477 178.0328 70 K 4.2026 8.9312 120.0952 58.4225 32.7096 178.2930 71 K 4.6662 8.6060 117.7293 54.4311 36.1849 175.3515 72 I 5.0050 8.4169 124.4478 59.3093 40.6690 173.8777 73 E 5.1859 9.1966 127.4920 54.6785 33.8200 174.9763 74 V 4.6048 9.0252 115.9752 59.5304 34.8954 174.7389 75 E 5.0446 8.8916 124.9456 54.2770 31.9033 175.0508 76 F 4.6633 8.7459 125.6487 57.7445 40.0139 175.7575 77 D 4.9743 8.5469 121.0278 53.5158 43.2031 175.8284 78 K 4.4715 8.9212 117.3143 57.2747 34.0356 177.7375 79 G 4.1786 8.5474 111.7057 45.1053 0.0000 173.9818 80 Q 4.1368 8.5996 122.3240 56.3714 29.4675 176.6343 81 R 4.5319 8.4125 117.7192 56.4645 31.2508 176.0311 82 T 5.0610 7.4751 107.0095 59.6985 72.0484 173.1578 83 D 4.8543 8.3431 122.9830 51.5287 41.7742 177.0399 84 K 3.8801 8.3972 117.0593 59.5105 32.4943 176.9939 85 Y 4.3209 8.0961 115.6448 57.6700 38.1723 176.1382 86 G 3.9085 8.2881 108.2928 45.4689 0.0000 173.7609 87 R 4.3398 8.3981 119.4887 54.9604 31.5824 176.5150 88 G 3.5544 8.2611 110.8110 46.3285 0.0000 172.4752 89 L 5.2728 8.9441 124.1219 53.1603 43.0467 175.6402 90 A 4.5422 8.3831 124.8997 50.7146 23.4771 174.1421 91 Y 4.6973 8.7338 117.6659 57.3164 39.7142 174.9630 92 I 4.7019 8.5889 124.4680 59.6376 40.2614 174.0709 93 Y 5.1269 9.1249 124.1007 56.0433 41.0159 174.4288 94 A 4.8737 9.0690 126.0793 50.3424 21.4119 176.4170 95 D 4.2274 9.8423 125.9222 55.6987 38.9559 175.3309 96 G 3.9546 8.2135 104.5496 45.4607 0.0000 172.9540 97 K 4.5852 7.9982 120.4498 54.4851 34.0163 175.3118 98 M 3.9760 8.5796 123.5457 55.0683 33.1842 176.9622 99 V 3.6307 8.6083 127.2135 66.1588 31.2446 177.6611 100 N 4.2928 8.0308 115.7514 56.3871 38.4076 176.8389 101 E 3.8607 8.0307 119.8235 59.1064 29.8908 178.2229 102 A 4.0501 7.9950 120.8909 55.3953 18.4158 179.5909 103 L 3.4752 7.9075 117.2528 57.8051 41.6698 180.0294 104 V 3.7542 7.3645 117.3844 65.9639 31.2915 177.9982 105 R 3.9405 8.3967 117.7368 59.1507 29.9148 177.4785 106 Q 4.3625 7.7304 115.1350 54.7269 29.1134 175.7564 107 G 3.9420 8.0060 108.6333 46.9441 0.0000 174.8777 108 L 4.4865 7.6964 116.7895 53.9472 42.4749 176.3734 109 A 4.6888 7.5292 119.0417 50.7866 22.2606 176.0740 110 K 4.8242 8.6277 119.3367 54.7000 35.0171 176.2113 111 V 4.2924 9.3247 123.4455 62.7218 31.9286 175.9779 112 A 4.9501 8.7885 130.3594 51.0459 19.5514 176.2198 113 Y 3.9900 8.4490 120.3868 57.6627 39.3083 175.0789 114 V 3.8277 7.0973 126.4028 61.2878 33.1480 174.6391 115 Y 4.6818 7.8747 123.4952 55.7756 39.2875 175.4870 116 K 4.4147 8.5717 124.7439 56.1427 32.7287 175.1448 117 P 4.7857 0.0000 0.0000 63.0844 31.7213 176.9216 118 N 4.9251 8.1573 119.3082 52.2511 36.9567 175.2330 119 N 5.0854 7.7989 114.4026 53.2690 38.9311 177.6543 120 T 3.8244 8.4960 118.0261 67.7805 68.8241 175.0291 121 H 4.7931 7.8954 116.6134 55.8354 29.0723 176.8485 122 E 3.9837 8.2876 123.7360 59.6344 29.3162 178.9871 123 Q 3.9750 7.9890 117.5121 59.0977 28.8988 177.6928 124 H 4.1949 8.2530 118.7866 59.5230 29.8935 177.0993 125 L 3.9207 7.8283 120.1886 57.8420 41.3655 179.7568 126 R 4.0582 8.1107 118.0912 59.0304 29.8014 179.2793 127 K 3.9525 8.1729 118.4445 59.6285 32.0094 179.6455 128 S 4.1438 8.2026 115.5134 61.3601 62.6823 176.3245 129 E 3.9022 8.8013 122.4056 59.1232 29.2595 178.7343 130 A 3.7729 8.1344 121.0725 54.9012 18.3463 179.4735 131 Q 3.7789 7.8340 118.0621 59.3013 29.1301 178.2253 132 A 4.1302 8.1265 121.8662 54.9100 18.3416 179.8801 133 K 3.3032 7.5422 117.1346 59.3238 31.8395 179.3993 134 K 3.8653 7.8386 118.7344 59.2136 32.1726 177.6856 135 E 4.2751 8.4179 116.0768 55.0800 30.4334 176.1174 136 K 4.0586 7.7561 117.8642 57.2984 30.5371 175.2337 137 L 4.5009 8.2891 118.0943 54.9111 45.0523 178.0167 138 N 3.6810 9.3275 119.6539 54.1521 37.7753 176.7324 139 I 3.0824 5.4200 128.0364 64.2787 37.6402 176.7581 140 W 4.8618 7.8750 118.5985 56.4750 29.0978 176.4774 141 S 4.4298 7.9510 119.6218 58.4949 62.6900 173.9361 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 6 K 8.31 4.30 0.00 1.74 1.83 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.58 7.81 7 L 8.41 4.21 0.00 1.82 1.69 1.08 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 8 H 9.00 5.02 0.00 3.12 3.26 0.00 5.71 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.59 4.71 0.00 1.59 1.72 0.00 1.40 0.00 0.00 1.04 0.00 0.00 2.32 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.26 7.81 10 E 9.19 5.03 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 11 P 0.00 5.02 0.00 2.10 2.07 0.00 3.85 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 2.02 2.00 0.00 12 A 8.42 4.92 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 13 T 8.59 4.65 4.28 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 1.23 0.00 0.00 14 L 8.72 4.12 0.00 1.63 1.57 0.91 1.01 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 15 I 8.47 4.49 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.85 0.94 0.00 0.00 16 K 7.47 4.58 0.00 1.79 1.86 0.00 1.51 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.44 7.81 17 A 8.67 4.49 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 18 I 8.52 4.25 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.69 0.91 0.00 0.00 19 D 7.55 4.75 0.00 2.65 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 20 G 8.91 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.09 5.06 0.00 2.77 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 22 T 7.89 5.16 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 23 V 8.82 4.78 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 0.78 0.00 0.00 0.94 0.00 0.00 24 K 9.16 4.94 0.00 1.84 1.72 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 25 L 9.17 5.37 0.00 1.81 1.60 0.89 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.35 4.86 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 27 Y 8.88 5.05 0.00 3.25 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 28 K 9.64 3.73 0.00 1.51 1.64 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.84 0.21 7.81 29 G 8.72 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.92 4.71 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.94 0.00 0.00 0.00 0.00 0.00 2.61 2.41 0.00 31 P 0.00 4.95 0.00 2.01 2.08 0.00 3.70 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 2.06 2.16 0.00 32 M 9.16 4.91 0.00 1.68 2.07 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.50 0.00 33 T 8.49 4.63 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 1.23 0.00 0.00 34 F 9.75 5.11 0.00 2.99 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 35 R 8.83 5.03 0.00 1.93 1.80 0.00 3.34 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 36 L 8.66 4.40 0.00 1.56 1.58 0.98 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.45 3.88 0.00 0.93 1.21 0.45 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.87 3.89 0.00 2.01 1.92 1.14 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.24 4.96 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 0.81 0.00 0.00 0.93 0.00 0.00 40 D 8.86 4.93 0.00 2.58 2.56 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 41 C 8.75 4.76 0.00 3.03 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 42 P 0.00 4.42 0.00 2.28 2.00 0.00 3.56 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 43 E 10.39 4.38 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 2.40 2.35 0.00 44 T 7.99 4.30 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 1.25 0.00 0.00 45 K 7.57 4.49 0.00 1.81 1.81 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.35 7.81 46 H 8.50 4.55 0.00 3.22 3.42 0.00 5.80 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 47 P 0.00 4.18 0.00 1.83 2.02 0.00 3.46 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.03 0.00 48 K 6.48 4.25 0.00 1.83 1.70 0.00 1.76 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.26 1.36 7.81 49 K 7.83 3.98 0.00 1.70 1.70 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.43 7.81 50 G 7.81 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 0.00 0.00 0.00 51 V 8.50 4.15 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 0.80 0.00 0.00 0.97 0.00 0.00 52 E 9.16 4.31 0.00 1.91 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 0.00 2.24 2.50 0.00 53 K 8.29 3.97 0.00 1.68 1.65 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.74 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.94 1.28 7.81 54 Y 8.18 4.32 0.00 3.18 3.04 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 0.00 0.00 0.00 0.00 55 G 8.01 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 56 P 0.00 4.31 0.00 2.16 2.11 0.00 3.56 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 57 E 8.18 4.01 0.00 2.34 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 2.50 2.49 0.00 58 A 8.60 4.02 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 59 S 8.37 4.18 0.00 3.93 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 60 A 8.29 4.07 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.40 3.91 0.00 3.24 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 62 T 8.24 3.96 4.30 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 1.24 0.00 0.00 63 K 8.02 3.92 0.00 1.90 2.05 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.61 7.81 64 K 8.18 3.97 0.00 1.63 1.74 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.64 1.54 7.81 65 M 7.75 3.88 0.00 1.89 1.77 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 66 V 8.10 3.89 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 0.79 0.00 0.00 1.01 0.00 0.00 67 E 8.44 3.98 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 68 N 8.09 4.58 0.00 2.82 2.81 0.00 0.00 6.98 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 69 A 7.28 4.58 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 70 K 8.93 4.20 0.00 1.86 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.67 7.81 71 K 8.61 4.67 0.00 1.66 1.65 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.35 7.81 72 I 8.42 5.00 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.51 0.94 0.00 0.00 73 E 9.20 5.19 0.00 1.96 1.85 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 2.22 2.26 0.00 74 V 9.03 4.60 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 -0.06 0.00 0.00 0.67 0.00 0.00 75 E 8.89 5.04 0.00 2.35 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 0.00 2.41 2.53 0.00 76 F 8.75 4.66 0.00 3.05 2.94 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 77 D 8.55 4.97 0.00 2.72 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 78 K 8.92 4.47 0.00 1.89 1.96 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.41 7.81 79 G 8.55 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 80 Q 8.60 4.14 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 81 R 8.41 4.53 0.00 1.59 1.36 0.00 2.78 0.00 0.00 2.55 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 82 T 7.48 5.06 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 83 D 8.34 4.85 0.00 2.97 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 84 K 8.40 3.88 0.00 1.58 1.78 0.00 1.28 0.00 0.00 1.53 0.00 0.00 2.49 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.96 0.21 7.81 85 Y 8.10 4.32 0.00 3.15 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 86 G 8.29 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 87 R 8.40 4.34 0.00 2.04 1.88 0.00 3.14 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 88 G 8.26 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.94 5.27 0.00 1.54 1.63 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.38 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.73 4.70 0.00 2.94 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.59 4.70 1.75 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.84 0.80 0.00 0.00 93 Y 9.12 5.13 0.00 2.88 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 94 A 9.07 4.87 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 9.84 4.23 0.00 2.72 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 96 G 8.21 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.00 4.59 0.00 1.94 1.76 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.38 7.81 98 M 8.58 3.98 0.00 1.91 1.69 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.43 0.00 99 V 8.61 3.63 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 1.02 0.00 0.00 0.93 0.00 0.00 100 N 8.03 4.29 0.00 2.87 2.90 0.00 0.00 6.78 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.03 3.86 0.00 1.87 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 2.22 1.95 0.00 102 A 7.99 4.05 1.60 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 0.00 103 L 7.91 3.48 0.00 1.84 1.61 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.36 3.75 2.19 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 1.09 0.00 0.00 0.97 0.00 0.00 105 R 8.40 3.94 0.00 1.98 2.09 0.00 3.35 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 106 Q 7.73 4.36 0.00 1.62 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.49 0.00 0.00 0.00 0.00 0.00 2.40 2.22 0.00 107 G 8.01 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 0.00 108 L 7.70 4.49 0.00 1.31 1.49 0.47 0.46 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 0.00 109 A 7.53 4.69 1.13 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 0.00 0.00 110 K 8.63 4.82 0.00 1.75 1.83 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.56 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.18 7.81 111 V 9.32 4.29 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 0.76 0.00 0.00 0.99 0.00 0.00 112 A 8.79 4.95 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 0.00 113 Y 8.45 3.99 0.00 2.79 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 0.00 114 V 7.10 3.83 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 0.78 0.00 0.00 0.85 0.00 0.00 115 Y 7.87 4.68 0.00 3.02 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.57 4.41 0.00 1.77 1.77 0.00 1.75 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.42 7.81 117 P 0.00 4.79 0.00 2.20 2.15 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 118 N 8.16 4.93 0.00 2.92 2.87 0.00 0.00 6.64 8.70 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 0.00 119 N 7.80 5.09 0.00 2.98 2.94 0.00 0.00 6.11 7.22 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 0.00 120 T 8.50 3.82 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 1.10 0.00 0.00 121 H 7.90 4.79 0.00 2.82 3.09 0.00 5.63 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.29 3.98 0.00 2.16 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 2.30 2.35 0.00 123 Q 7.99 3.98 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.65 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 124 H 8.25 4.19 0.00 3.22 3.28 0.00 5.87 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 0.00 125 L 7.83 3.92 0.00 1.93 1.70 0.99 0.61 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 0.00 126 R 8.11 4.06 0.00 2.08 1.95 0.00 3.11 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 127 K 8.17 3.95 0.00 2.02 1.86 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.45 1.54 7.81 128 S 8.20 4.14 0.00 3.82 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 0.00 129 E 8.80 3.90 0.00 2.08 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 2.11 2.50 0.00 130 A 8.13 3.77 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 0.00 131 Q 7.83 3.78 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 132 A 8.13 4.13 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 0.00 133 K 7.54 3.30 0.00 1.56 1.44 0.00 1.15 0.00 0.00 0.74 0.00 0.00 2.57 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 0.21 7.81 134 K 7.84 3.87 0.00 1.82 1.94 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.49 7.81 135 E 8.42 4.28 0.00 1.94 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 2.30 2.44 0.00 136 K 7.76 4.06 0.00 1.91 1.90 0.00 1.72 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 1.51 1.40 7.81 137 L 8.29 4.50 0.00 1.76 1.65 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.33 3.68 0.00 2.63 1.61 0.00 0.00 7.13 7.49 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 0.00 139 I 5.42 3.08 0.89 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.15 -0.19 0.00 0.00 140 W 7.88 4.86 0.00 3.38 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 0.00 141 S 7.95 4.43 0.00 4.04 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