NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6400 8.3049 120.6085 55.3866 33.3847 174.5144 2 E 4.0692 8.8735 127.5356 55.7534 30.3678 174.9633 3 H 4.6408 9.0711 122.8946 54.3481 29.7062 174.3909 4 V 4.3274 8.0256 122.0243 60.7969 34.6778 174.5250 5 A 4.5755 8.0181 129.7943 50.5838 19.8910 176.4362 6 F 3.3130 8.4974 124.2716 59.3045 39.7772 175.6922 7 G 3.6227 7.6463 115.2324 45.0353 0.0000 173.7396 8 S 4.1553 7.5238 116.4119 58.6148 63.3637 175.6257 9 E 4.0028 8.7565 123.1768 58.8455 29.6408 177.5020 10 D 4.9759 7.7078 118.0862 53.7350 41.8639 178.0730 11 I 3.5626 7.4637 122.6839 64.1527 37.5574 176.8392 12 E 4.0976 8.0723 116.9954 58.9382 29.3094 178.4962 13 N 4.5344 8.1969 118.0731 56.4676 38.1667 177.3958 14 T 3.8810 7.7713 116.5906 66.6873 68.6912 176.2335 15 L 4.1417 8.0645 119.2591 56.3407 41.4925 178.9975 16 A 4.2684 7.6165 119.9417 54.6047 18.3808 179.0364 17 K 4.1386 7.6298 114.8372 57.9497 33.4289 177.1488 18 M 4.4688 7.3631 120.5019 54.6179 33.2538 175.6741 19 D 4.8167 8.2679 122.3069 52.7354 43.4335 176.2350 20 D 4.5783 8.8081 119.6031 56.5552 39.1895 178.4639 21 G 3.7620 8.0334 106.4315 47.9294 0.0000 175.6664 22 Q 4.0843 8.0586 120.4196 58.2488 28.7451 178.5907 23 L 4.0226 7.8786 119.7882 57.6524 41.3970 178.7874 24 D 4.6593 7.8210 117.1421 55.8430 40.9806 177.0945 25 G 3.9237 7.6812 108.2522 45.0892 0.0000 173.8282 26 L 4.0689 7.3649 119.9267 54.1060 42.0835 177.5016 27 A 4.2599 7.9177 122.8311 52.7423 18.7837 176.9604 28 F 5.0968 6.7190 110.2803 54.8377 41.6872 174.8239 29 G 4.2701 9.6160 107.2440 45.9138 0.0000 172.6796 30 A 5.5792 9.3740 124.5762 50.2949 23.0573 175.0461 31 I 4.9987 9.0336 122.9990 59.4231 41.1964 174.1891 32 Q 4.6149 8.9751 127.8093 54.1788 31.1874 174.1666 33 L 5.3305 8.9719 126.2494 52.9267 45.6284 176.4814 34 D 5.0857 8.7999 122.0644 52.2685 41.0146 177.2381 35 G 3.8816 8.7424 106.8225 47.6452 0.0000 173.9187 36 D 4.7472 8.5453 118.2416 54.2056 41.6892 177.2116 37 G 4.1036 8.8247 108.6244 45.3770 0.0000 173.1709 38 N 4.9250 8.6188 117.8047 52.7916 39.4000 174.2735 39 I 4.3669 8.5260 123.6158 61.3468 37.6538 176.3853 40 L 4.4758 9.0401 127.7018 55.8992 43.3469 177.2379 41 Q 4.7252 7.7820 115.6037 54.5249 33.6052 174.1491 42 Y 5.0377 8.5316 123.5907 56.8088 41.6943 174.0418 43 N 5.0080 8.8117 125.0500 51.6350 39.7948 176.1818 44 A 4.0448 9.3353 120.9109 55.4044 18.4291 179.8446 45 A 3.9738 7.9416 118.7405 55.1222 18.5801 179.4940 46 Q 3.9995 8.3201 117.8291 59.4212 29.2481 178.6251 47 G 3.8993 8.1616 106.3192 47.9651 0.0000 175.3745 48 D 4.4758 7.9235 120.4603 57.1755 40.8471 178.5755 49 I 4.0073 7.5946 119.6976 63.9836 37.3846 177.6533 50 T 4.5184 8.2624 107.8793 61.2838 69.6334 175.8617 51 G 4.0049 8.3391 109.8142 45.3927 0.0000 174.1374 52 R 4.0649 7.5545 118.0979 55.7526 30.9744 175.6597 53 D 4.6456 8.3200 120.2844 52.5153 41.7172 175.0515 54 P 4.1159 0.0000 0.0000 65.7828 30.9793 178.9856 55 K 4.0280 8.0984 116.6753 59.1071 32.0661 178.9132 56 Q 4.0644 7.9841 116.4393 57.2543 29.1208 176.8978 57 V 4.0745 7.1473 110.4707 61.0686 32.8018 176.0005 58 I 3.9661 6.8112 122.4443 62.6770 37.2026 176.2208 59 G 3.9918 9.1936 114.5588 45.2086 0.0000 174.0020 60 K 4.2337 7.7943 119.0058 55.4326 33.2987 175.3607 61 N 4.9011 9.2756 120.4006 52.6576 39.6754 175.6240 62 F 3.8217 9.1602 129.1299 61.3319 39.5493 177.2565 63 F 3.8818 7.6021 117.0842 59.3318 39.0540 176.4173 64 K 4.1063 8.1182 120.6767 57.8031 32.7469 176.7424 65 D 4.5684 7.8528 116.6913 56.0339 41.9304 177.9051 66 V 3.6971 7.4478 116.2037 64.5559 32.6161 176.0074 67 A 4.3306 7.3418 121.4107 49.4689 18.4087 174.7562 68 P 4.1731 0.0000 0.0000 64.7345 32.0129 179.2750 69 C 4.2465 7.7305 112.8043 60.2729 29.8687 174.0763 70 T 4.2891 7.7499 110.2526 61.8573 68.8618 174.2962 71 D 5.1964 7.7632 123.4066 52.8589 39.6732 174.6453 72 S 4.7247 7.9372 116.0412 56.0254 64.1613 173.7532 73 P 4.2692 0.0000 0.0000 65.6375 31.2169 178.4781 74 E 3.9272 8.2406 115.8563 57.8427 29.3937 175.7095 75 F 4.5097 7.5014 118.4112 58.7547 42.4947 175.6105 76 Y 4.1801 9.0444 120.5081 61.0084 38.7244 179.2189 77 G 3.5297 8.3358 106.3850 47.7285 0.0000 175.8460 78 K 3.9833 7.5893 120.0788 59.0028 31.9989 179.3008 79 F 4.1298 8.3313 121.2915 61.1863 39.4392 177.3676 80 K 3.7187 8.3784 118.9464 59.8423 32.1967 178.7316 81 E 3.9210 8.1152 120.6840 58.8137 29.5153 179.0485 82 G 3.6274 7.9208 105.9287 46.7734 0.0000 175.8536 83 V 3.5871 7.5028 121.2234 64.9050 31.4644 177.7126 84 A 4.0688 7.5043 119.5235 55.1943 18.2517 179.3226 85 S 4.3326 8.3437 112.3317 58.6713 62.8436 176.0303 86 G 4.2069 7.9238 109.4240 45.6227 0.0000 173.1514 87 N 5.0595 7.6910 116.2626 50.8200 40.4714 173.2924 88 L 4.5930 8.2910 122.4097 54.3072 45.7938 173.7492 89 N 5.0435 8.7630 123.7276 53.6659 40.3384 172.7269 90 T 4.8654 9.1263 119.9947 60.5748 71.5870 171.7950 91 M 5.4156 8.6130 126.6781 53.9723 35.3874 174.0166 92 F 4.9881 8.6696 119.0383 56.2349 41.7847 172.8179 93 E 4.9922 8.8876 119.0730 56.1367 31.0546 174.8530 94 Y 4.8725 8.7437 121.6350 57.1751 43.1709 173.1393 95 T 4.9426 7.8321 119.4514 61.7748 71.1380 173.5851 96 F 5.3093 9.0796 126.3987 56.1527 40.5166 176.2660 97 D 5.0148 8.7930 121.5080 53.0798 40.4255 173.9981 98 Y 4.5361 8.2655 120.9655 57.8003 39.2049 174.8022 99 Q 3.3373 8.5094 126.1384 56.2474 26.4184 172.9805 100 M 4.7245 7.5585 111.8151 54.0687 33.9054 174.1785 101 T 3.9396 8.3172 116.8222 62.8552 69.0313 172.6663 102 P 4.5866 0.0000 0.0000 63.8506 32.0413 175.7252 103 T 4.6313 9.0781 121.0702 61.5229 71.7117 172.9921 104 K 4.6839 8.6111 127.7558 55.8509 33.9408 175.7393 105 V 4.4923 8.7065 119.3501 59.7108 37.0016 173.6615 106 K 4.8084 8.7555 123.7751 54.8536 34.1255 175.0725 107 V 4.9868 8.6815 127.2855 61.2590 34.6964 173.5802 108 H 5.2479 9.3759 127.0548 54.8628 32.6855 171.6452 109 M 5.1555 9.0509 126.3474 53.6313 34.4563 175.2869 110 K 5.2105 8.9014 123.6508 54.5375 36.3377 175.0818 111 K 4.3984 8.7499 128.6878 56.7787 32.7298 176.3935 112 A 4.5547 8.2963 129.2153 51.5042 19.1538 177.8382 113 L 4.0387 8.6972 120.6714 58.2434 42.1844 177.9409 114 S 4.1116 8.4077 115.1386 60.3982 64.5646 174.5819 115 G 3.6274 7.3589 108.8437 44.4571 0.0000 176.5866 116 D 4.8554 8.6254 125.5334 53.2667 39.1075 173.9392 117 S 4.9138 7.3192 113.9770 56.8360 67.4871 174.2631 118 Y 4.9195 8.4325 117.7498 56.2759 42.3374 174.2755 119 W 4.9466 9.2232 123.9935 55.2921 31.6277 175.4734 120 V 4.6017 8.8280 123.6032 61.2106 33.6155 174.0494 121 F 5.7599 9.1260 127.2886 55.9515 41.6760 175.1017 122 V 5.2840 9.2954 122.1712 61.3074 35.1216 174.1652 123 K 4.9435 8.6932 125.0344 55.1666 36.3009 175.7845 124 R 4.3826 8.4610 119.9300 56.2395 31.1428 177.3014 125 V 3.9368 7.7418 113.3621 61.6904 32.4367 175.7423 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 M 8.30 4.64 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.50 0.00 2 E 8.87 4.07 0.00 1.76 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 2.27 2.61 0.00 3 H 9.07 4.64 0.00 2.98 3.30 0.00 5.84 0.00 0.00 0.00 0.00 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.03 4.33 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 0.78 0.00 0.00 0.87 0.00 0.00 5 A 8.02 4.58 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.50 3.31 0.00 2.45 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 7 G 7.65 3.62 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 0.00 0.00 0.00 8 S 7.52 4.16 0.00 3.79 3.74 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 9 E 8.76 4.00 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 10 D 7.71 4.98 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 11 I 7.46 3.56 1.73 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.02 0.83 0.00 0.00 12 E 8.07 4.10 0.00 2.39 2.25 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 2.35 2.44 0.00 13 N 8.20 4.53 0.00 3.01 2.91 0.00 0.00 6.84 6.64 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 14 T 7.77 3.88 4.29 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 1.17 0.00 0.00 15 L 8.06 4.14 0.00 1.58 1.48 0.71 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.62 4.27 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 17 K 7.63 4.14 0.00 1.97 1.96 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.77 1.48 7.81 18 M 7.36 4.47 0.00 2.06 2.06 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 2.59 2.59 0.00 19 D 8.27 4.82 0.00 2.73 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.81 4.58 0.00 2.89 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 21 G 8.03 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.06 4.08 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 23 L 7.88 4.02 0.00 1.96 1.76 1.20 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.82 4.66 0.00 2.94 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 25 G 7.68 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 26 L 7.36 4.07 0.00 1.40 0.48 0.61 0.69 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 27 A 7.92 4.26 1.29 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 0.00 0.00 28 F 6.72 5.10 0.00 3.35 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 29 G 9.62 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 0.00 0.00 0.00 0.00 30 A 9.37 5.58 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 9.03 5.00 1.63 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.45 0.82 0.00 0.00 32 Q 8.98 4.61 0.00 1.42 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.72 0.00 0.00 0.00 0.00 0.00 1.76 1.16 0.00 33 L 8.97 5.33 0.00 1.70 1.59 0.25 0.73 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 34 D 8.80 5.09 0.00 2.97 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 G 8.74 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.55 4.75 0.00 2.89 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 37 G 8.82 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 0.00 0.00 0.00 38 N 8.62 4.92 0.00 3.10 2.75 0.00 0.00 7.03 7.64 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 39 I 8.53 4.37 2.03 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.75 1.04 0.00 0.00 40 L 9.04 4.48 0.00 1.46 1.65 0.84 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.78 4.73 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 42 Y 8.53 5.04 0.00 2.93 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 43 N 8.81 5.01 0.00 2.98 2.99 0.00 0.00 6.43 8.21 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 44 A 9.34 4.04 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 45 A 7.94 3.97 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 46 Q 8.32 4.00 0.00 2.09 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 1.44 2.03 0.00 47 G 8.16 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 48 D 7.92 4.48 0.00 2.89 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 49 I 7.59 4.01 2.12 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.65 1.06 0.00 0.00 50 T 8.26 4.52 4.36 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 1.41 0.00 0.00 51 G 8.34 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 0.00 0.00 0.00 52 R 7.55 4.06 0.00 1.89 1.69 0.00 3.31 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 53 D 8.32 4.65 0.00 2.68 2.50 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 54 P 0.00 4.12 0.00 2.29 2.58 0.00 3.69 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 55 K 8.10 4.03 0.00 1.97 1.84 0.00 1.56 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.46 7.81 56 Q 7.98 4.06 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 57 V 7.15 4.07 1.82 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 0.60 0.00 0.00 0.16 0.00 0.00 58 I 6.81 3.97 1.86 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.75 0.97 0.00 0.00 59 G 9.19 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 0.00 0.00 0.00 60 K 7.79 4.23 0.00 1.89 1.67 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.31 7.81 61 N 9.28 4.90 0.00 2.66 2.71 0.00 0.00 7.17 7.71 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 62 F 9.16 3.82 0.00 2.71 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.60 3.88 0.00 2.66 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 0.00 0.00 0.00 64 K 8.12 4.11 0.00 1.68 1.90 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.35 7.81 65 D 7.85 4.57 0.00 2.79 2.61 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 66 V 7.45 3.70 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 0.67 0.00 0.00 0.86 0.00 0.00 67 A 7.34 4.33 -0.10 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 0.00 0.00 68 P 0.00 4.17 0.00 1.84 1.94 0.00 3.11 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.69 0.00 69 C 7.73 4.25 0.00 3.25 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.75 4.29 3.02 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 0.49 0.00 0.00 71 D 7.76 5.20 0.00 2.76 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 72 S 7.94 4.72 0.00 4.02 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 73 P 0.00 4.27 0.00 2.23 2.08 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 74 E 8.24 3.93 0.00 2.23 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 0.00 2.40 2.39 0.00 75 F 7.50 4.51 0.00 2.70 2.99 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 76 Y 9.04 4.18 0.00 3.04 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 77 G 8.34 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.59 3.98 0.00 1.98 1.84 0.00 1.15 0.00 0.00 1.30 0.00 0.00 2.70 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.35 1.31 7.81 79 F 8.33 4.13 0.00 3.31 3.27 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 80 K 8.38 3.72 0.00 1.76 1.70 0.00 1.08 0.00 0.00 1.33 0.00 0.00 2.84 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.12 1.47 7.81 81 E 8.12 3.92 0.00 2.07 1.90 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 2.23 2.41 0.00 82 G 7.92 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 83 V 7.50 3.59 1.61 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 1.07 0.00 0.00 -0.62 0.00 0.00 84 A 7.50 4.07 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 85 S 8.34 4.33 0.00 3.88 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 86 G 7.92 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 N 7.69 5.06 0.00 2.92 2.88 0.00 0.00 6.39 6.55 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 88 L 8.29 4.59 0.00 1.81 1.67 0.96 0.59 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 89 N 8.76 5.04 0.00 2.78 2.73 0.00 0.00 6.90 7.70 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 90 T 9.13 4.87 4.33 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 1.41 0.00 0.00 91 M 8.61 5.42 0.00 2.03 1.80 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.55 0.00 92 F 8.67 4.99 0.00 3.13 3.09 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 0.00 0.00 0.00 93 E 8.89 4.99 0.00 1.96 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 0.00 2.26 2.33 0.00 94 Y 8.74 4.87 0.00 3.33 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 95 T 7.83 4.94 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 1.23 0.00 0.00 96 F 9.08 5.31 0.00 3.01 2.96 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 97 D 8.79 5.01 0.00 2.76 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 98 Y 8.27 4.54 0.00 2.82 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 99 Q 8.51 3.34 0.00 1.80 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.52 0.00 0.00 0.00 0.00 0.00 1.70 1.16 0.00 100 M 7.56 4.72 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 101 T 8.32 3.94 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 1.23 0.00 0.00 102 P 0.00 4.59 0.00 1.95 2.06 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 103 T 9.08 4.63 4.35 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 1.23 0.00 0.00 104 K 8.61 4.68 0.00 1.81 1.63 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.43 7.81 105 V 8.71 4.49 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.31 0.00 0.00 106 K 8.76 4.81 0.00 1.65 1.34 0.00 1.50 0.00 0.00 1.64 0.00 0.00 2.72 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.35 7.81 107 V 8.68 4.99 0.87 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 0.58 0.00 0.00 0.89 0.00 0.00 108 H 9.38 5.25 0.00 2.87 2.91 0.00 5.62 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 M 9.05 5.16 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 110 K 8.90 5.21 0.00 1.76 1.75 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.62 7.81 111 K 8.75 4.40 0.00 1.94 1.73 0.00 1.96 0.00 0.00 1.68 0.00 0.00 2.67 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.19 1.14 7.81 112 A 8.30 4.55 0.95 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 0.00 113 L 8.70 4.04 0.00 1.70 1.76 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.41 4.11 0.00 3.90 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 0.00 115 G 7.36 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 0.00 116 D 8.63 4.86 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 0.00 117 S 7.32 4.91 0.00 3.40 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 8.43 4.92 0.00 3.21 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 0.00 119 W 9.22 4.95 0.00 2.92 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 0.00 0.00 0.00 120 V 8.83 4.60 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 1.16 0.00 0.00 0.84 0.00 0.00 121 F 9.13 5.76 0.00 2.71 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.30 5.28 2.49 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 1.24 0.00 0.00 1.24 0.00 0.00 123 K 8.69 4.94 0.00 1.63 1.57 0.00 1.01 0.00 0.00 0.86 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.30 0.90 7.81 124 R 8.46 4.38 0.00 1.68 1.86 0.00 3.14 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 125 V 7.74 3.94 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 0.57 0.00 0.00 0.88 0.00 0.00