NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.0545 8.2548 109.1172 45.2959 0.0000 174.9405 17 I 3.7283 7.3239 119.9336 63.1083 37.6110 175.3023 18 T 3.8558 7.7842 116.6027 63.3839 69.9534 174.0755 19 G 3.5526 7.5071 112.4037 44.5748 0.0000 171.1922 20 T 4.6191 7.5708 117.0206 61.7717 69.9666 174.6559 21 W 4.9640 9.0465 125.5490 55.0164 33.4147 174.0206 22 Y 5.5198 9.4015 119.5958 56.5620 41.4721 174.9628 23 N 5.2500 8.4801 120.5677 50.5553 39.6465 174.5970 24 Q 4.2211 8.6088 116.4406 58.5600 29.1945 177.8625 25 L 4.1204 8.0122 117.4532 57.7254 41.8155 176.8696 26 G 4.0743 8.2050 107.2454 45.9815 0.0000 173.3367 27 S 5.0804 9.1825 115.6621 56.6127 66.5946 173.4524 28 T 4.8573 8.8799 119.2533 61.7091 71.4789 172.9548 29 F 4.8194 9.2667 128.8974 56.5510 41.6699 173.9928 30 I 4.4805 8.2598 128.7140 59.4540 38.8627 175.4585 31 V 4.5867 8.0297 126.0093 59.9803 35.5834 174.5428 32 T 4.6502 8.5990 117.6370 61.7275 71.9603 172.8309 33 A 4.5979 8.6274 129.4462 50.2886 19.8952 177.3304 34 G 3.8376 9.4534 112.0661 45.1682 0.0000 174.2246 35 A 4.1049 8.5001 123.0307 54.6719 18.5093 178.4106 36 D 4.4821 8.0589 113.1688 53.7466 39.9768 177.1479 37 G 3.2181 8.3539 108.6934 45.0083 0.0000 172.8653 38 A 4.9528 7.9954 121.3592 50.9043 20.8087 176.7899 39 L 5.3214 8.9327 120.6387 53.1446 44.9358 175.9435 40 T 4.9086 8.9565 112.9916 59.6150 72.6020 174.4934 41 G 3.9384 7.3258 109.0706 46.4427 0.0000 171.2788 42 T 5.1572 7.8351 109.9975 60.1654 72.8626 172.5013 43 Y 5.1338 9.3957 125.2293 55.9705 41.5635 174.3168 44 E 5.9190 9.3055 123.9260 54.0672 34.1957 174.5096 45 S 4.7846 8.6721 114.5199 57.4625 64.4781 175.1167 46 A 4.0598 8.7168 122.6851 55.3434 18.2127 179.3243 47 V 3.6173 7.2954 115.1397 64.0791 31.6924 177.2665 48 G 3.9383 7.9298 106.5801 45.3127 0.0000 173.2192 49 N 4.3457 7.8608 116.6538 52.2941 37.9284 175.6568 50 A 3.8821 8.5582 122.9920 55.5427 18.5258 179.8686 51 E 3.4800 7.6533 113.7096 58.3835 29.9692 177.6089 52 S 4.8762 7.9778 112.8356 57.9325 64.4470 173.1597 53 R 5.0543 7.4249 121.2181 55.6252 31.0602 175.1884 54 Y 4.8978 9.2331 123.5196 55.9257 42.2020 175.1284 55 V 4.3891 8.6125 122.7773 62.8906 32.5532 175.0987 56 L 5.2037 8.7483 126.4227 54.4369 44.0170 175.1693 57 T 4.9356 8.5845 114.2532 61.2797 71.5277 173.2663 58 G 4.3704 8.7462 112.2422 46.4386 0.0000 172.0214 59 R 5.5892 8.7849 117.4727 55.1038 34.9260 174.0425 60 Y 5.2657 8.5806 118.2051 55.5738 41.3671 174.4462 61 D 4.3412 9.0905 120.7217 53.9700 40.6999 176.8206 62 S 4.3215 8.1810 120.6954 59.1022 64.0066 174.5928 63 A 4.6786 8.0883 123.6476 50.3200 18.9395 173.6105 64 P 4.7003 0.0000 0.0000 60.8976 32.6787 177.0672 65 A 4.2289 8.3632 121.8701 52.8332 18.7424 177.3181 66 T 4.5870 8.3564 108.6652 61.6758 69.1002 174.5806 67 D 4.6706 8.3004 118.9855 53.8761 39.5342 177.0025 68 G 3.9594 8.2903 107.0039 45.6801 0.0000 174.3152 69 S 4.3380 7.7370 115.1249 57.9014 63.4273 174.1133 70 G 4.0854 8.2360 109.8251 45.8470 0.0000 172.6580 71 T 4.8260 8.6829 116.2813 61.4337 70.4348 174.7040 72 A 4.7878 8.6906 129.4219 52.2198 19.9860 175.9097 73 L 4.9629 8.8269 120.7195 55.5433 44.7104 173.8708 74 G 4.5673 9.0831 104.1943 45.6990 0.0000 172.4256 75 W 5.8088 8.3544 117.6237 55.6406 32.3676 173.4030 76 T 5.2685 9.3847 116.4392 61.8951 72.4531 173.5683 77 V 4.6109 8.6270 123.5455 61.1599 34.7441 173.7967 78 A 4.3869 8.3404 129.8789 49.5771 20.0565 178.0224 79 W 4.2892 8.3822 126.1766 55.7141 28.0931 176.3650 80 K 5.3584 7.8110 118.1007 54.8737 35.2088 174.6243 81 N 5.0620 9.1194 122.5342 51.9854 39.7361 174.1754 82 N 4.3827 8.8932 113.9993 55.1505 38.9617 175.0802 83 Y 4.5906 7.9103 115.0579 58.5064 40.2269 175.8574 84 R 4.8057 9.3096 117.1950 54.7188 34.4512 173.8619 85 N 5.1509 8.5796 117.3615 53.0506 40.9236 173.6218 86 A 4.4282 9.2056 128.6484 51.3778 19.8828 176.4014 87 H 4.1572 8.6818 114.7418 56.3564 26.8944 173.1686 88 S 5.2014 7.3857 111.8984 58.0085 66.7600 174.8802 89 A 4.9295 8.9934 120.9963 50.8560 22.8356 175.3401 90 T 4.9970 8.6068 117.4532 61.7219 72.3327 173.2407 91 T 4.9157 8.3175 114.8187 59.6199 72.0586 172.5961 92 W 4.8808 8.5475 124.7601 54.7495 31.8891 174.6807 93 S 4.9066 8.7489 119.2936 56.6195 64.9004 172.8352 94 G 4.5036 8.4254 113.3034 46.7219 0.0000 171.7365 95 Q 5.2767 8.3864 118.7483 54.9509 32.4376 173.5421 96 Y 4.6947 9.1226 123.0157 56.5977 40.8160 174.1933 97 V 4.1318 8.5360 126.8762 60.8505 33.9983 175.6020 98 G 3.9971 8.0560 115.6593 45.2327 0.0000 170.6835 99 G 4.0006 9.0338 104.6198 43.1393 0.0000 174.8045 100 A 3.7890 8.6083 122.0403 54.1466 18.7918 177.7332 101 E 4.7429 7.3430 112.7394 54.8500 29.5209 176.2883 102 A 4.4862 7.7509 119.4431 54.0399 19.7106 178.4793 103 R 5.2649 8.9971 117.7429 55.4129 35.7193 174.3225 104 I 4.8827 8.8002 122.1788 59.8625 40.0628 174.3861 105 N 5.2943 9.0110 126.1710 52.2168 40.3012 174.7777 106 T 5.2790 9.1990 113.3059 60.1975 73.3365 172.5992 107 Q 5.0083 9.0696 119.7978 53.8455 33.0492 174.6895 108 W 5.3320 8.3226 119.0888 54.5799 32.5220 173.9807 109 L 5.1341 8.7091 119.8068 52.9970 44.8673 175.3796 110 L 5.0158 9.2826 127.2083 53.8253 44.0698 174.9071 111 T 5.1082 8.8226 124.0352 62.0151 70.8391 173.9668 112 S 5.1422 8.7219 122.6279 56.5110 65.2691 174.3636 113 G 3.8856 8.8010 111.7285 46.5664 0.0000 173.0960 114 T 4.7949 8.3233 114.1823 59.6805 72.3172 173.2045 115 T 4.2031 8.0462 112.0237 60.6437 70.3669 175.4589 116 E 3.9512 8.9120 120.5416 59.7955 29.1273 179.6403 117 A 4.1907 8.1009 118.6302 54.3775 18.8180 178.1826 118 N 4.8388 7.8623 112.7434 53.2450 38.9791 176.6591 119 A 4.1087 8.1834 126.1087 54.2233 18.1752 180.1279 120 W 4.2986 8.4506 113.7019 58.4875 28.3568 176.5904 121 K 4.0276 6.5364 118.4030 56.0033 32.1493 177.1203 122 S 4.2742 7.6506 114.9827 60.5452 63.7994 173.2496 123 T 5.0314 7.5336 117.5367 61.7694 70.8948 173.3552 124 L 4.8024 9.0861 127.0215 53.2117 44.2273 175.9564 125 V 4.3757 7.8647 120.6059 60.3207 34.3904 175.1967 126 G 3.0223 6.6037 108.2198 45.8272 0.0000 171.0217 127 H 5.3870 7.9555 113.9350 54.3375 31.5438 172.7303 128 D 5.1009 9.3007 119.5230 52.9541 45.4334 174.5508 129 T 5.0523 8.3651 117.6618 61.9719 71.8009 172.7724 130 F 5.4606 9.4942 126.0101 56.2000 41.5978 175.1144 131 T 5.5013 9.4835 112.3058 60.0504 72.2718 174.7811 132 K 3.8188 8.8809 119.9944 57.1749 32.5918 177.3747 133 V 4.4990 7.4198 117.9583 60.2796 34.2790 175.1599 134 K 3.8344 8.2838 123.5781 56.7913 31.7586 176.8701 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 16 G 8.25 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.32 3.73 1.37 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 -0.24 0.58 0.00 0.00 18 T 7.78 3.86 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 1.15 0.00 0.00 19 G 7.51 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 20 T 7.57 4.62 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 0.68 0.00 0.00 21 W 9.05 4.96 0.00 3.34 3.31 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 22 Y 9.40 5.52 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 23 N 8.48 5.25 0.00 2.21 2.09 0.00 0.00 6.98 8.72 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 24 Q 8.61 4.22 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 7.13 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 25 L 8.01 4.12 0.00 1.72 1.78 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.21 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 0.00 0.00 0.00 0.00 27 S 9.18 5.08 0.00 4.02 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 28 T 8.88 4.86 4.20 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 1.01 0.00 0.00 29 F 9.27 4.82 0.00 2.53 2.79 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 0.00 0.00 0.00 30 I 8.26 4.48 1.66 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 1.07 0.45 0.71 0.00 0.00 31 V 8.03 4.59 0.67 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 0.29 0.00 0.00 0.69 0.00 0.00 32 T 8.60 4.65 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 1.14 0.00 0.00 33 A 8.63 4.60 0.68 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 34 G 9.45 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 35 A 8.50 4.10 1.31 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 0.00 0.00 36 D 8.06 4.48 0.00 2.78 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 37 G 8.35 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 0.00 0.00 0.00 38 A 8.00 4.95 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 39 L 8.93 5.32 0.00 1.76 1.54 1.09 0.24 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 40 T 8.96 4.91 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 1.21 0.00 0.00 41 G 7.33 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 42 T 7.84 5.16 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 1.19 0.00 0.00 43 Y 9.40 5.13 0.00 3.04 3.05 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 0.00 0.00 0.00 44 E 9.31 5.92 0.00 2.05 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 2.29 2.10 0.00 45 S 8.67 4.78 0.00 3.98 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.72 4.06 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 47 V 7.30 3.62 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 0.76 0.00 0.00 0.94 0.00 0.00 48 G 7.93 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 49 N 7.86 4.35 0.00 2.98 2.92 0.00 0.00 6.04 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 50 A 8.56 3.88 1.12 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 0.00 0.00 51 E 7.65 3.48 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.47 0.00 52 S 7.98 4.88 0.00 4.06 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 53 R 7.42 5.05 0.00 1.76 1.90 0.00 3.19 0.00 0.00 3.45 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 54 Y 9.23 4.90 0.00 3.08 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 55 V 8.61 4.39 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 0.81 0.00 0.00 0.96 0.00 0.00 56 L 8.75 5.20 0.00 2.00 1.78 0.87 0.70 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 57 T 8.58 4.94 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 1.26 0.00 0.00 58 G 8.75 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.78 5.59 0.00 1.76 1.79 0.00 3.32 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 1.60 1.74 0.00 60 Y 8.58 5.27 0.00 2.98 2.89 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 61 D 9.09 4.34 0.00 2.74 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 62 S 8.18 4.32 0.00 3.89 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.09 4.68 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.70 0.00 2.27 2.18 0.00 3.45 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 65 A 8.36 4.23 1.33 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 0.00 0.00 0.00 66 T 8.36 4.59 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 1.24 0.00 0.00 67 D 8.30 4.67 0.00 2.79 2.80 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 68 G 8.29 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 69 S 7.74 4.34 0.00 3.95 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 70 G 8.24 4.09 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 0.00 0.00 0.00 71 T 8.68 4.83 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 72 A 8.69 4.79 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.83 4.96 0.00 2.08 1.98 1.20 0.44 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 74 G 9.08 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.35 5.81 0.00 3.55 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 9.38 5.27 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 1.20 0.00 0.00 77 V 8.63 4.61 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.88 0.00 0.00 78 A 8.34 4.39 1.18 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 79 W 8.38 4.29 0.00 3.39 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 80 K 7.81 5.36 0.00 1.93 1.72 0.00 1.78 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.50 7.81 81 N 9.12 5.06 0.00 2.88 2.72 0.00 0.00 6.73 7.72 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 82 N 8.89 4.38 0.00 2.45 2.60 0.00 0.00 6.60 7.46 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 83 Y 7.91 4.59 0.00 2.77 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 84 R 9.31 4.81 0.00 2.00 1.91 0.00 3.42 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 85 N 8.58 5.15 0.00 2.66 2.60 0.00 0.00 6.88 7.96 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 86 A 9.21 4.43 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.68 4.16 0.00 3.30 3.29 0.00 5.66 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.39 5.20 0.00 4.04 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 89 A 8.99 4.93 1.14 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 0.00 0.00 90 T 8.61 5.00 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 -0.16 0.00 0.00 91 T 8.32 4.92 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 1.14 0.00 0.00 92 W 8.55 4.88 0.00 1.78 1.89 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 93 S 8.75 4.91 0.00 3.78 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 94 G 8.43 4.50 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 0.00 95 Q 8.39 5.28 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 96 Y 9.12 4.69 0.00 3.01 2.89 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 97 V 8.54 4.13 1.98 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 0.83 0.00 0.00 0.89 0.00 0.00 98 G 8.06 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 99 G 9.03 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 0.00 100 A 8.61 3.79 1.31 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 0.00 0.00 101 E 7.34 4.74 0.00 2.08 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 2.21 2.24 0.00 102 A 7.75 4.49 1.55 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 0.00 103 R 9.00 5.26 0.00 1.84 1.93 0.00 3.15 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.94 0.00 104 I 8.80 4.88 1.79 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.33 0.99 0.00 0.00 105 N 9.01 5.29 0.00 2.75 2.80 0.00 0.00 6.10 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 0.00 106 T 9.20 5.28 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 107 Q 9.07 5.01 0.00 1.92 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.69 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 108 W 8.32 5.33 0.00 2.57 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 0.00 109 L 8.71 5.13 0.00 1.50 1.53 0.86 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.28 5.02 0.00 1.64 1.74 0.98 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.82 5.11 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 1.19 0.00 0.00 112 S 8.72 5.14 0.00 3.69 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 0.00 113 G 8.80 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 0.00 0.00 0.00 114 T 8.32 4.79 4.20 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 1.24 0.00 0.00 115 T 8.05 4.20 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 1.22 0.00 0.00 116 E 8.91 3.95 0.00 2.02 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 2.42 2.35 0.00 117 A 8.10 4.19 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 0.00 118 N 7.86 4.84 0.00 2.67 2.73 0.00 0.00 6.76 9.14 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 0.00 119 A 8.18 4.11 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 0.00 120 W 8.45 4.30 0.00 3.61 3.26 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 0.00 121 K 6.54 4.03 0.00 1.05 0.74 0.00 1.08 0.00 0.00 1.51 0.00 0.00 2.63 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.30 0.80 7.81 122 S 7.65 4.27 0.00 4.11 4.11 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 0.00 123 T 7.53 5.03 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 1.18 0.00 0.00 124 L 9.09 4.80 0.00 1.75 1.71 0.95 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.86 4.38 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 0.53 0.00 0.00 0.68 0.00 0.00 126 G 6.60 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 0.00 0.00 0.00 0.00 127 H 7.96 5.39 0.00 3.17 3.12 0.00 5.67 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 0.00 128 D 9.30 5.10 0.00 3.04 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 0.00 0.00 0.00 129 T 8.37 5.05 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 1.32 0.00 0.00 130 F 9.49 5.46 0.00 3.07 3.32 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 0.00 131 T 9.48 5.50 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 132 K 8.88 3.82 0.00 1.61 1.63 0.00 1.51 0.00 0.00 1.34 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 0.45 7.81 133 V 7.42 4.50 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 0.81 0.00 0.00 0.94 0.00 0.00 134 K 8.28 3.83 0.00 1.54 1.45 0.00 1.58 0.00 0.00 1.46 0.00 0.00 2.61 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.30 0.64 7.81