NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2212 8.3049 118.1925 53.4530 33.0824 174.6792 2 L 3.2567 8.0338 116.4637 53.8230 38.5922 172.4765 3 T 3.9082 8.4881 115.2782 63.9968 69.6891 174.3266 4 D 4.4896 7.7278 122.0733 50.8876 43.4791 173.4084 5 P 4.2172 0.0000 0.0000 66.3569 31.2909 177.8016 6 I 3.5772 7.9611 119.2203 64.2520 37.0915 177.4884 7 A 3.9095 9.0848 121.1698 55.9693 18.0984 178.7837 8 D 4.1995 7.8752 115.6967 57.0786 41.3113 177.8344 9 M 3.7597 8.7589 118.6452 59.0209 32.3878 178.5387 10 L 3.8893 8.0758 118.8488 58.3465 41.7343 179.8991 11 T 3.8607 7.7203 115.2269 66.2938 68.2463 177.0614 12 R 3.8442 8.1707 120.5318 59.2953 30.1280 178.7132 13 I 3.6003 7.5980 119.4924 64.5681 37.1112 178.0847 14 R 3.7354 7.7313 118.9654 59.8260 29.6702 178.3570 15 N 4.3298 8.2590 114.5593 56.3555 38.5923 176.6622 16 A 4.1547 8.1980 123.3161 54.3752 18.7330 179.3121 17 T 3.1188 8.7766 107.9938 64.8638 68.3700 176.1217 18 R 3.7251 7.5363 119.8124 58.1690 30.1902 177.6759 19 V 3.8716 8.3079 111.2068 60.4301 32.5935 174.9908 20 Y 4.3752 7.0904 113.6077 59.6444 35.0600 169.4432 21 K 4.3931 8.2106 118.1806 55.2473 33.8841 176.5750 22 E 4.2055 9.0301 125.4258 59.0731 29.8869 175.6347 23 S 5.3631 7.1186 110.6800 59.9793 65.9949 170.9867 24 T 4.0735 7.1481 111.1305 62.9590 72.2749 171.7616 25 D 5.8500 8.6851 121.0859 51.9608 45.1684 175.4377 26 V 4.1676 8.7232 113.9564 61.8631 33.6679 169.2196 27 P 3.5222 0.0000 0.0000 58.3003 31.8285 175.7268 28 A 4.0411 9.1878 128.6445 52.2259 19.1419 177.0200 29 S 4.3281 8.4718 117.1626 55.8694 64.5737 174.3197 30 R 4.2149 9.0529 128.5112 59.6756 29.3553 177.4482 31 F 4.1323 8.1530 119.5011 60.5741 39.4806 177.4379 32 K 3.7265 8.3147 117.6072 59.2336 31.9593 177.9212 33 E 3.5573 8.2326 119.8605 58.5027 29.3240 178.1615 34 E 3.8460 7.9229 117.5285 59.8091 29.7496 180.0678 35 I 3.5455 6.9865 119.0760 64.3106 37.0442 178.5382 36 L 3.9243 7.9240 120.2592 57.9505 41.2177 179.0798 37 R 4.1678 7.9123 118.4650 59.2931 29.6817 178.1729 38 I 3.2694 8.3363 120.0998 63.9238 37.2947 178.5849 39 L 4.1452 7.7241 119.9225 57.7354 41.2772 178.9709 40 A 4.2968 7.9731 120.2474 54.6551 18.5733 179.3398 41 R 3.5727 8.7735 117.9588 59.0404 30.1703 176.8796 42 E 4.4189 7.9127 113.9664 55.4476 30.1982 175.6343 43 G 3.6823 8.9813 108.2391 46.4424 0.0000 173.4727 44 F 4.9673 8.6856 116.5817 57.8989 41.0893 176.8678 45 I 4.9573 7.7080 109.9133 58.7726 40.7127 176.9104 46 K 4.1350 9.2587 123.2257 58.4894 32.6841 178.1141 47 G 3.7573 6.4908 106.1541 46.1806 0.0000 170.9839 48 Y 5.8361 7.8816 118.3766 57.9112 40.4791 172.6516 49 E 4.7811 8.3043 115.0729 54.7587 32.3341 176.0721 50 R 5.1030 8.3507 121.5387 56.4161 27.0324 175.7688 51 V 4.0608 7.5246 114.9974 61.3831 34.2748 175.9332 52 D 4.8606 8.3243 120.3045 53.4107 44.3371 176.3669 53 V 3.6142 8.9209 125.5943 62.0373 30.9309 175.1508 54 D 4.3693 9.1061 129.9654 55.5360 37.6648 174.6807 55 G 3.8824 7.9698 102.2553 45.9091 0.0000 172.2211 56 K 4.4595 7.7167 120.4040 53.3689 33.1660 173.5086 57 P 4.7598 0.0000 0.0000 64.1497 32.0413 174.6851 58 Y 5.5204 8.6585 123.1409 56.1219 42.5519 174.1558 59 L 5.0164 8.3886 117.5343 53.7289 46.4445 175.7299 60 R 4.7323 8.8884 124.3021 55.0972 31.8463 174.9673 61 V 4.2776 8.1946 126.8498 61.5449 33.5229 174.3689 62 Y 4.9303 8.4560 127.4930 56.5442 37.8639 174.7722 63 L 4.4153 8.6457 124.5158 54.7785 42.5830 176.5516 64 K 4.6944 8.7108 124.7081 55.5314 33.2783 174.8598 65 Y 4.8382 8.9708 123.9907 56.2728 42.1508 174.5730 66 G 4.1563 8.6438 107.7429 44.1041 0.0000 171.9020 67 P 4.5494 0.0000 0.0000 62.2014 31.9809 176.1924 68 R 3.9398 8.5770 123.0122 56.8953 30.9839 174.2285 69 R 4.8044 8.5043 119.5465 54.7628 34.4706 174.1406 70 Q 4.5056 8.4986 118.4088 54.7663 31.7928 176.2686 71 G 3.9033 8.4170 106.9856 44.4310 0.0000 171.6511 72 P 4.2212 0.0000 0.0000 63.8584 31.8384 175.6679 73 D 4.3344 8.7388 117.6392 54.7077 39.0786 172.4068 74 P 4.4121 0.0000 0.0000 63.9247 32.0844 177.6292 75 R 3.9928 7.4514 118.6152 55.7243 30.4264 175.4527 76 P 4.4638 0.0000 0.0000 62.8129 32.2611 173.6099 77 E 4.7785 8.2984 118.9194 55.5909 31.5867 174.8476 78 Q 4.6419 8.0465 114.5064 54.6277 32.9686 174.9849 79 V 3.7591 8.3534 119.4675 65.0432 31.7804 175.9417 80 I 4.4893 7.3354 120.4312 59.8381 37.0869 175.0031 81 H 4.2343 8.7043 122.0101 58.1928 29.2969 175.5748 82 H 4.3641 7.9920 120.3727 53.9345 32.2505 171.5540 83 I 4.3861 7.8282 125.7703 58.9544 40.4223 174.4271 84 R 4.5235 8.2122 128.1780 54.8258 33.8226 173.6777 85 R 4.0632 8.5151 125.9730 56.3249 30.7238 174.1679 86 I 4.1983 8.2113 123.7841 62.6973 38.6805 175.4296 87 S 4.0551 8.2411 125.5048 59.0628 62.1580 173.9000 88 K 4.5496 8.6047 127.5708 53.9010 34.5063 176.1248 89 P 4.3109 0.0000 0.0000 65.9303 31.3601 178.7400 90 G 3.5993 8.1091 105.7516 47.5141 0.0000 173.0186 91 R 4.4159 7.3858 118.0658 53.8712 30.6760 174.4645 92 R 4.3462 8.3252 123.5608 55.7330 31.1281 176.4636 93 V 4.3514 8.3736 121.0273 61.5085 34.6156 174.0099 94 Y 4.9371 8.5961 124.6325 55.8525 39.0605 174.6191 95 V 3.3565 8.4213 117.6549 61.4374 32.7367 176.1073 96 G 3.8366 9.9363 115.8854 46.5393 0.0000 174.4405 97 V 4.3916 7.5524 118.2407 62.0662 39.2970 175.9743 98 K 4.2339 8.1022 117.8833 57.2185 32.6180 176.8995 99 E 4.4527 7.9029 118.0640 56.3429 30.2657 176.3215 100 I 3.7847 7.3538 120.4866 60.8753 37.5893 174.2674 101 P 4.6344 0.0000 0.0000 62.3922 32.8892 176.7684 102 R 4.5795 7.8326 114.8996 54.5686 30.5134 175.2511 103 V 3.5279 7.5915 117.1295 63.9919 32.2841 175.4889 104 R 3.4567 9.3887 126.6453 57.0129 28.3859 177.8819 105 R 4.1083 8.2380 118.1040 55.4316 30.9854 176.8737 106 G 4.6373 7.3105 115.2934 46.8127 0.0000 173.8824 107 L 4.1960 8.0050 116.8429 55.5566 41.5814 176.2459 108 G 4.5569 7.7351 105.1666 44.3399 0.0000 172.1706 109 I 5.0432 8.9300 119.3763 59.0440 41.6400 174.2879 110 A 4.9693 9.3575 129.9284 49.9709 20.2229 175.1297 111 I 4.2476 8.5051 122.5927 62.0017 38.5992 175.2856 112 L 4.9579 8.1640 123.0719 54.9738 44.0572 174.3572 113 S 5.0026 8.7136 117.5714 58.7431 64.5942 173.3474 114 T 4.9653 8.4009 112.0304 60.2589 72.0541 174.6843 115 S 4.2505 9.0209 116.6983 60.4430 62.6127 174.5585 116 K 4.4775 7.5631 119.5308 56.2625 32.2765 177.2339 117 G 3.8726 8.0684 110.0700 44.5129 0.0000 172.6913 118 V 3.9470 8.3324 118.7078 63.4552 31.3198 175.1820 119 L 5.2217 8.6750 133.0213 54.1978 45.3402 175.2926 120 T 4.6642 8.3782 110.7674 60.2762 72.3783 174.1543 121 D 4.4931 8.6888 120.6925 57.5289 38.8534 179.1041 122 R 4.1731 8.0228 118.7945 58.9370 30.2529 178.7875 123 E 3.9977 8.1157 117.6949 59.3398 29.4457 179.4987 124 A 3.9868 8.7679 121.8865 55.2976 18.4544 179.9076 125 R 3.9809 8.6846 116.2754 59.1837 30.1303 178.6137 126 K 4.1171 8.2363 120.1930 59.0852 32.3887 178.2414 127 L 4.1626 8.3574 120.5936 55.0620 42.6972 176.6958 128 G 3.6759 8.2189 106.3030 46.4115 0.0000 172.1682 129 V 4.5277 7.2170 109.5846 60.0638 36.2568 174.6603 130 G 4.6576 6.8787 107.8043 45.5343 0.0000 172.4439 131 G 4.1542 7.6734 103.2939 45.2069 0.0000 170.3700 132 E 4.2698 8.2980 120.8355 56.1003 30.6698 177.9601 133 L 4.3400 8.4366 130.2807 54.1171 40.3338 176.4330 134 I 3.6352 7.9089 121.5268 62.9773 37.6312 174.9258 135 C 5.0208 8.6378 113.7753 57.8471 33.7976 171.8374 136 E 5.1785 8.4216 117.4439 55.0017 32.0777 175.1035 137 V 4.7042 8.8856 120.5135 60.6218 35.9957 175.0864 138 W 4.1735 7.9749 121.6990 57.6323 28.8171 174.2626 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 4.22 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 2 L 8.03 3.26 0.00 1.81 1.69 0.88 0.57 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 3 T 8.49 3.91 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 1.20 0.00 0.00 4 D 7.73 4.49 0.00 2.70 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 5 P 0.00 4.22 0.00 2.28 2.25 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 6 I 7.96 3.58 2.06 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 1.79 0.56 0.89 0.00 0.00 7 A 9.08 3.91 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 8 D 7.88 4.20 0.00 2.78 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 9 M 8.76 3.76 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 10 L 8.08 3.89 0.00 1.62 1.58 0.81 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.72 3.86 4.34 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 1.16 0.00 0.00 12 R 8.17 3.84 0.00 2.02 1.94 0.00 3.12 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 13 I 7.60 3.60 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 1.55 0.89 0.82 0.00 0.00 14 R 7.73 3.74 0.00 1.92 2.01 0.00 3.00 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 15 N 8.26 4.33 0.00 2.77 2.83 0.00 0.00 7.11 6.89 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 16 A 8.20 4.15 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 17 T 8.78 3.12 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 1.14 0.00 0.00 18 R 7.54 3.73 0.00 1.92 1.85 0.00 3.20 0.00 0.00 3.09 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 19 V 8.31 3.87 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 1.04 0.00 0.00 20 Y 7.09 4.38 0.00 3.35 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 21 K 8.21 4.39 0.00 1.82 1.79 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 22 E 9.03 4.21 0.00 2.02 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 2.57 2.49 0.00 23 S 7.12 5.36 0.00 3.58 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 24 T 7.15 4.07 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 1.18 0.00 0.00 25 D 8.69 5.85 0.00 2.68 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 26 V 8.72 4.17 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 0.68 0.00 0.00 0.82 0.00 0.00 27 P 0.00 3.52 0.00 1.70 1.64 0.00 3.41 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.23 0.00 28 A 9.19 4.04 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 29 S 8.47 4.33 0.00 3.83 3.66 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 30 R 9.05 4.21 0.00 1.94 2.02 0.00 3.26 0.00 0.00 3.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 31 F 8.15 4.13 0.00 3.12 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 32 K 8.31 3.73 0.00 1.73 1.73 0.00 1.84 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.46 7.81 33 E 8.23 3.56 0.00 2.13 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 0.00 2.43 2.36 0.00 34 E 7.92 3.85 0.00 1.61 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 0.00 2.36 2.50 0.00 35 I 6.99 3.55 1.81 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.31 0.75 0.00 0.00 36 L 7.92 3.92 0.00 1.30 1.23 0.48 0.56 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 37 R 7.91 4.17 0.00 2.05 2.10 0.00 3.25 0.00 0.00 3.40 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.83 0.00 38 I 8.34 3.27 1.94 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 1.55 1.04 0.96 0.00 0.00 39 L 7.72 4.15 0.00 1.85 1.79 0.80 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.97 4.30 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 0.00 0.00 41 R 8.77 3.57 0.00 1.78 2.14 0.00 3.27 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 42 E 7.91 4.42 0.00 2.26 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 2.54 2.50 0.00 43 G 8.98 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 0.00 0.00 0.00 44 F 8.69 4.97 0.00 3.21 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 45 I 7.71 4.96 2.16 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.11 0.98 0.00 0.00 46 K 9.26 4.14 0.00 1.92 1.96 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.54 7.81 47 G 6.49 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 48 Y 7.88 5.84 0.00 3.18 2.98 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 49 E 8.30 4.78 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 2.64 2.49 0.00 50 R 8.35 5.10 0.00 1.80 2.04 0.00 3.33 0.00 0.00 3.95 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 51 V 7.52 4.06 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 1.00 0.00 0.00 52 D 8.32 4.86 0.00 2.49 2.55 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 53 V 8.92 3.61 1.04 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 0.62 0.00 0.00 0.08 0.00 0.00 54 D 9.11 4.37 0.00 2.83 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 55 G 7.97 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 56 K 7.72 4.46 0.00 2.23 1.99 0.00 1.85 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.64 7.81 57 P 0.00 4.76 0.00 2.14 2.28 0.00 3.71 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 58 Y 8.66 5.52 0.00 2.80 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 59 L 8.39 5.02 0.00 1.50 1.44 0.73 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.89 4.73 0.00 2.06 1.38 0.00 3.24 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.54 0.00 61 V 8.19 4.28 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 1.00 0.00 0.00 0.86 0.00 0.00 62 Y 8.46 4.93 0.00 3.10 2.98 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 63 L 8.65 4.42 0.00 2.12 1.55 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.71 4.69 0.00 1.86 2.01 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.43 1.55 7.81 65 Y 8.97 4.84 0.00 2.91 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 66 G 8.64 4.16 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 0.00 0.00 0.00 67 P 0.00 4.55 0.00 2.09 2.07 0.00 3.84 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 68 R 8.58 3.94 0.00 1.78 1.90 0.00 3.13 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 69 R 8.50 4.80 0.00 1.69 1.80 0.00 3.19 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 70 Q 8.50 4.51 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.91 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 71 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 72 P 0.00 4.22 0.00 2.06 2.02 0.00 3.84 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 2.04 2.09 0.00 73 D 8.74 4.33 0.00 2.84 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 74 P 0.00 4.41 0.00 2.23 2.27 0.00 3.77 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 2.06 1.98 0.00 75 R 7.45 3.99 0.00 2.02 1.74 0.00 3.77 0.00 0.00 3.46 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 76 P 0.00 4.46 0.00 2.26 2.13 0.00 3.06 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 77 E 8.30 4.78 0.00 2.00 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 2.28 2.40 0.00 78 Q 8.05 4.64 0.00 1.92 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 79 V 8.35 3.76 2.32 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 0.92 0.00 0.00 0.98 0.00 0.00 80 I 7.34 4.49 1.74 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.88 0.67 0.00 0.00 81 H 8.70 4.23 0.00 3.00 3.37 0.00 5.84 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.99 4.36 0.00 1.95 1.31 0.00 5.72 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 83 I 7.83 4.39 1.56 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 1.02 0.74 0.69 0.00 0.00 84 R 8.21 4.52 0.00 1.59 1.54 0.00 3.16 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 85 R 8.52 4.06 0.00 1.80 1.75 0.00 3.22 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.79 0.00 86 I 8.21 4.20 2.06 0.00 0.00 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 1.10 1.03 0.89 0.00 0.00 87 S 8.24 4.06 0.00 3.88 3.70 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 88 K 8.60 4.55 0.00 1.83 1.70 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.66 7.81 89 P 0.00 4.31 0.00 2.03 2.09 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 90 G 8.11 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 91 R 7.39 4.42 0.00 1.80 1.79 0.00 3.09 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 92 R 8.33 4.35 0.00 2.02 2.09 0.00 3.36 0.00 0.00 3.07 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 93 V 8.37 4.35 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 1.04 0.00 0.00 0.95 0.00 0.00 94 Y 8.60 4.94 0.00 2.86 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 95 V 8.42 3.36 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 1.05 0.00 0.00 96 G 9.94 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 97 V 7.55 4.39 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 0.74 0.00 0.00 1.02 0.00 0.00 98 K 8.10 4.23 0.00 1.89 1.98 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.47 7.81 99 E 7.90 4.45 0.00 1.99 2.04 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 2.25 2.32 0.00 100 I 7.35 3.78 1.92 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 1.32 0.59 0.93 0.00 0.00 101 P 0.00 4.63 0.00 2.06 2.02 0.00 3.63 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 2.04 2.11 0.00 102 R 7.83 4.58 0.00 1.84 1.80 0.00 3.21 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 103 V 7.59 3.53 2.30 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 1.33 0.00 0.00 1.06 0.00 0.00 104 R 9.39 3.46 0.00 1.21 1.69 0.00 2.53 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.22 0.00 105 R 8.24 4.11 0.00 1.87 1.97 0.00 3.43 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 106 G 7.31 4.64 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 0.00 0.00 0.00 107 L 8.00 4.20 0.00 1.58 1.74 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.74 4.56 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 0.00 109 I 8.93 5.04 2.04 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.99 1.13 0.00 0.00 110 A 9.36 4.97 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 0.00 111 I 8.51 4.25 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.87 0.90 0.00 0.00 112 L 8.16 4.96 0.00 2.01 1.71 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.71 5.00 0.00 3.92 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 0.00 114 T 8.40 4.97 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 1.25 0.00 0.00 115 S 9.02 4.25 0.00 3.87 3.97 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 0.00 116 K 7.56 4.48 0.00 1.75 1.79 0.00 1.93 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.51 7.81 117 G 8.07 3.87 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 0.00 0.00 0.00 118 V 8.33 3.95 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 0.71 0.00 0.00 0.85 0.00 0.00 119 L 8.68 5.22 0.00 1.63 1.51 0.97 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.38 4.66 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 1.38 0.00 0.00 121 D 8.69 4.49 0.00 2.98 2.98 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 0.00 122 R 8.02 4.17 0.00 1.89 2.06 0.00 3.15 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 123 E 8.12 4.00 0.00 2.06 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 2.35 2.36 0.00 124 A 8.77 3.99 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 0.00 125 R 8.68 3.98 0.00 1.90 2.03 0.00 3.18 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 126 K 8.24 4.12 0.00 1.90 1.94 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 127 L 8.36 4.16 0.00 1.66 1.73 0.93 1.26 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 0.00 128 G 8.22 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 0.00 0.00 0.00 129 V 7.22 4.53 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 0.99 0.00 0.00 130 G 6.88 4.66 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 0.00 0.00 0.00 131 G 7.67 4.15 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 0.00 0.00 0.00 132 E 8.30 4.27 0.00 1.78 1.81 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 2.20 1.80 0.00 133 L 8.44 4.34 0.00 1.73 1.49 0.92 0.93 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 0.00 134 I 7.91 3.64 1.96 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.19 0.89 0.00 0.00 135 C 8.64 5.02 0.00 3.12 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 0.00 136 E 8.42 5.18 0.00 2.24 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 2.23 2.24 0.00 137 V 8.89 4.70 1.77 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 0.10 0.00 0.00 0.71 0.00 0.00 138 W 7.97 4.17 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