NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3530 8.4444 120.2290 56.0284 31.9587 175.9378 3 S 4.3785 7.5778 112.5188 55.2687 65.6991 172.5185 4 K 3.9022 8.8211 129.2311 59.5589 33.1005 178.0322 5 R 3.9732 7.9234 113.9404 58.0845 29.5460 177.0623 6 N 4.8252 8.0028 115.3229 52.9242 38.8594 174.4315 7 K 4.4889 7.7478 120.4303 54.2756 33.3397 174.5756 8 P 5.1714 0.0000 0.0000 62.9639 32.1065 175.4455 9 G 4.0516 8.0461 107.9908 45.7173 0.0000 171.7239 10 K 5.1077 8.3688 118.9852 54.4580 34.1643 176.6836 11 A 4.6578 8.6643 125.5249 52.4705 20.0906 176.4437 12 T 4.7874 9.0360 114.7324 60.6486 71.8722 173.1966 13 G 4.2162 9.0381 109.6850 45.0524 0.0000 173.3087 14 K 4.0920 9.4203 119.7270 55.8882 33.2477 178.0681 15 G 4.2408 8.3482 106.9187 44.8752 0.0000 172.4245 16 K 4.6666 8.0065 116.1244 53.7711 36.3254 174.1727 17 P 4.5447 0.0000 0.0000 62.9599 31.7352 176.3963 18 V 4.5914 8.0524 114.5987 59.5323 35.9827 175.0609 19 G 4.4712 8.0399 109.4521 44.3189 0.0000 173.1001 20 D 4.4659 8.8655 117.9513 57.1980 41.1313 177.3510 21 K 4.6275 8.0209 116.4241 55.4785 31.9655 177.8401 22 W 4.5019 8.2215 130.3785 61.2901 30.4143 178.0576 23 L 3.5049 7.7940 117.3417 56.9151 41.0963 179.0302 24 D 4.4169 7.4510 116.3948 57.3726 40.7409 178.2254 25 D 4.5164 8.2482 119.0956 57.1022 40.7482 178.6036 26 A 4.4041 7.8315 121.0968 54.3532 18.0305 178.7215 27 G 3.9033 7.5526 104.6653 45.2988 0.0000 173.5290 28 K 4.7229 7.7208 118.9375 55.0325 36.7396 177.6195 29 D 4.1250 8.2133 120.5687 56.4778 39.5670 174.9456 30 S 4.4683 8.9285 123.8476 59.1699 62.7244 174.2227 31 G 3.9074 8.2880 107.3616 44.5629 0.0000 172.9897 32 A 4.6445 8.5173 120.4525 50.4394 19.9762 175.8234 33 P 4.8016 0.0000 0.0000 62.3891 32.9882 176.0556 34 I 4.0408 8.3115 121.6709 60.5384 38.2884 174.2423 35 P 4.4866 0.0000 0.0000 62.3536 32.0576 176.8442 36 D 4.8638 8.6398 124.5842 56.3218 39.1371 179.5662 37 R 3.8658 7.7648 118.6255 58.9836 30.0553 178.9832 38 I 3.7231 7.3963 118.9442 64.1859 37.1895 178.0775 39 A 4.0521 7.9963 121.6582 55.2838 17.9308 179.3274 40 D 4.3182 7.9760 116.6036 57.5612 40.9329 178.8986 41 K 4.1440 7.4396 116.8379 58.7460 32.4384 178.6575 42 L 4.5134 7.9529 118.1823 54.6860 42.2192 177.1137 43 R 4.2902 7.4712 118.0759 58.0442 30.3524 176.7725 44 D 4.6375 9.1277 121.0273 54.3630 39.7911 174.5315 45 K 4.0745 7.8178 119.8924 56.0941 33.2926 175.6148 46 E 4.6013 8.1969 124.7071 55.0763 31.0763 175.1055 47 F 4.8906 8.6216 124.8540 55.4977 42.0343 176.5238 48 K 4.1132 9.1183 123.6806 59.0931 32.8208 176.9971 49 S 4.9575 7.6048 110.6501 57.0594 67.1211 175.4177 50 F 4.1839 9.2776 124.8442 61.4158 39.0053 176.7496 51 D 4.3740 8.3159 117.4349 57.4255 41.1467 177.8441 52 D 4.4536 8.2111 119.0745 57.1607 40.8467 178.4266 53 F 2.8753 8.0091 120.7969 60.7851 39.3711 176.9850 54 R 3.4590 7.7830 118.5905 59.2607 29.8018 178.1811 55 K 4.2501 8.3151 120.3201 59.0220 32.1441 178.5309 56 A 3.9274 7.6982 120.6961 54.8642 18.1670 179.6399 57 V 3.0481 7.0091 116.6821 65.9920 31.4636 178.4615 58 W 4.4631 7.5464 117.9512 59.6572 28.6319 178.4269 59 E 4.0186 8.2398 118.0462 59.6174 29.0839 179.0067 60 E 4.0786 8.3229 118.5817 59.1247 29.5639 179.4790 61 V 3.6170 8.0744 118.9041 66.1047 31.4294 178.1754 62 S 4.2307 8.1752 112.7048 61.1319 62.7510 175.8228 63 K 4.4602 7.6120 119.3546 55.6127 32.5430 175.8852 64 D 4.6835 7.5212 120.4772 51.9355 40.9355 175.1178 65 P 4.5865 0.0000 0.0000 65.7512 31.0797 178.1512 66 E 4.0405 8.2221 118.0350 58.7463 29.5180 178.6468 67 L 4.3022 7.9274 118.7652 57.5347 42.1886 179.2692 68 S 4.2588 8.6668 114.6321 61.0206 62.6681 176.4335 69 K 4.1189 7.6919 120.9811 59.1706 32.2584 177.2267 70 N 4.8116 7.6445 116.1395 52.9302 38.7113 174.4048 71 L 4.7499 7.6381 119.0508 52.7884 43.8087 176.8328 72 N 4.7202 8.4051 120.3701 51.6772 39.7878 174.2882 73 P 4.2456 0.0000 0.0000 66.0828 31.3965 179.1547 74 S 4.1615 7.9835 113.2366 61.7476 62.8956 176.3591 75 N 4.5073 8.1636 118.6861 56.0270 38.3190 177.3984 76 K 3.9960 8.4679 120.5102 59.6592 31.9306 179.4161 77 S 4.1099 7.9117 114.1914 61.4978 63.1022 176.4015 78 S 4.2948 7.9882 115.2912 61.7449 62.2515 176.8331 79 V 4.0657 8.1914 116.2898 63.5981 30.9913 178.6899 80 S 4.1570 7.8633 113.5968 60.8921 62.8370 175.7841 81 K 4.0809 7.4546 119.4428 55.8342 31.8338 177.6216 82 G 3.9867 7.9809 108.3523 45.8889 0.0000 173.3311 83 Y 4.5996 7.2301 117.0024 56.9538 38.8535 174.9718 84 S 2.7900 8.1433 117.2592 57.0209 63.3555 172.2175 85 P 4.5120 0.0000 0.0000 62.2491 32.7773 175.4265 86 F 4.5869 9.0547 120.8181 57.8496 39.4255 175.5837 87 T 4.1122 8.1269 113.4295 59.7072 70.3243 172.8460 88 P 4.3406 0.0000 0.0000 62.4498 32.2603 177.4283 89 K 3.7775 8.8924 122.6790 59.7682 32.0035 178.2138 90 N 4.5593 8.1104 113.0000 54.4280 37.5626 175.0527 91 Q 4.4461 8.1441 117.8440 55.8416 29.9121 175.4397 92 Q 4.5947 7.6585 117.4821 55.0514 29.8960 175.8154 93 V 4.2490 8.2375 119.6806 61.7872 34.5591 176.2456 94 G 3.7427 8.4445 118.6800 47.1176 0.0000 173.9465 95 G 3.7115 8.8668 112.8747 45.6804 0.0000 173.3140 96 R 4.3197 8.1320 120.9052 54.8880 29.5924 176.6858 97 K 4.5655 8.3089 120.8748 55.6662 33.9741 176.1834 98 V 4.5567 7.0434 110.9705 58.8423 35.1068 175.0258 99 Y 4.2299 8.1318 120.0738 58.4687 38.5356 175.8024 100 E 4.9168 9.4962 122.3374 54.5044 33.0325 175.1945 101 L 4.8935 8.8537 124.0741 54.7523 42.8851 175.6716 102 H 4.9725 9.3973 123.7034 54.6166 33.1410 171.9721 103 H 4.9322 8.5120 122.1960 54.7068 29.0508 174.4482 104 D 4.3279 8.9720 124.8259 56.9874 41.9058 176.5229 105 K 4.2640 8.7450 122.4009 54.1937 32.6347 174.1737 106 P 4.5327 0.0000 0.0000 62.5026 32.2316 177.5101 107 I 3.8317 8.5689 122.1498 63.8990 37.1153 178.4256 108 S 4.2365 7.9556 112.6672 60.1793 63.0370 174.5645 109 Q 4.4320 8.0825 119.0411 55.7092 28.8101 176.2068 110 G 3.9233 8.2176 106.1420 44.9114 0.0000 174.8063 111 G 4.0587 7.8844 108.6977 44.7712 0.0000 173.2052 112 E 4.2206 8.3804 121.5986 55.6756 30.3931 177.5329 113 V 3.2659 8.3729 123.3261 65.5507 31.6924 176.3586 114 Y 4.2752 7.7233 114.2715 57.3945 38.6391 174.2458 115 D 4.8533 7.8778 121.3463 53.5028 41.5342 176.9790 116 M 4.1602 9.2093 128.1458 58.1477 32.1656 178.4793 117 D 4.4690 8.3919 117.7182 56.2608 41.1955 176.4102 118 N 4.7394 8.3715 117.2898 53.1915 39.1102 173.5459 119 I 4.9868 7.3070 116.7640 60.0867 39.9207 175.2082 120 R 4.9608 9.1381 123.6077 54.5632 34.9488 174.1292 121 V 4.8332 9.0226 122.3353 61.9568 33.2865 174.9572 122 T 5.3928 9.0987 117.7832 59.9551 72.5900 173.4066 123 T 4.2633 8.4284 112.8767 60.7110 70.3766 173.9045 124 P 4.2147 0.0000 0.0000 65.7621 31.4444 178.6660 125 K 3.8380 7.9986 118.1357 59.7023 32.0093 178.7719 126 R 3.9008 7.8174 118.3231 59.5672 30.1118 177.9064 127 H 4.2028 8.6618 118.5388 59.2886 29.7439 177.2707 128 I 3.6753 7.9081 121.6065 64.6097 36.7466 178.1719 129 D 4.3691 7.7252 117.8043 57.3026 40.9043 178.5387 130 I 3.8252 8.0078 120.5558 64.8821 36.9732 178.1444 131 H 4.3363 7.9823 114.4303 57.7315 28.6349 176.9556 132 R 4.3687 7.5681 118.2290 55.2682 30.4403 176.5235 133 G 4.1412 7.8451 113.5284 45.9209 0.0000 173.5943 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 2 E 8.44 4.35 0.00 1.99 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 0.00 2.23 2.26 0.00 3 S 7.58 4.38 0.00 3.87 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.82 3.90 0.00 1.79 1.74 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.43 7.81 5 R 7.92 3.97 0.00 1.93 2.00 0.00 3.01 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 6 N 8.00 4.83 0.00 2.94 2.94 0.00 0.00 6.85 7.00 0.00 0.00 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 K 7.75 4.49 0.00 1.80 1.90 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.45 7.81 8 P 0.00 5.17 0.00 2.00 1.99 0.00 3.88 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 9 G 8.05 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 10 K 8.37 5.11 0.00 1.62 1.71 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.66 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.26 1.35 7.81 11 A 8.66 4.66 1.64 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 12 T 9.04 4.79 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 1.28 0.00 0.00 13 G 9.04 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 0.00 0.00 0.00 0.00 14 K 9.42 4.09 0.00 1.80 1.80 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.36 7.81 15 G 8.35 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 0.00 0.00 0.00 0.00 16 K 8.01 4.67 0.00 1.76 1.64 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.56 7.81 17 P 0.00 4.54 0.00 2.02 1.96 0.00 3.61 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 2.08 0.00 18 V 8.05 4.59 2.07 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 0.63 0.00 0.00 0.46 0.00 0.00 19 G 8.04 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.87 4.47 0.00 2.72 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 21 K 8.02 4.63 0.00 1.85 1.86 0.00 2.27 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.36 7.81 22 W 8.22 4.50 0.00 3.50 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 23 L 7.79 3.50 0.00 1.49 1.14 0.46 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.45 4.42 0.00 2.92 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 25 D 8.25 4.52 0.00 2.99 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 26 A 7.83 4.40 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 27 G 7.55 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 28 K 7.72 4.72 0.00 1.81 1.67 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.35 1.38 7.81 29 D 8.21 4.12 0.00 2.81 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 0.00 0.00 0.00 30 S 8.93 4.47 0.00 3.89 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 31 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 32 A 8.52 4.64 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 33 P 0.00 4.80 0.00 2.14 2.13 0.00 3.99 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 34 I 8.31 4.04 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.01 0.90 0.00 0.00 35 P 0.00 4.49 0.00 1.73 1.43 0.00 3.32 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.59 0.00 36 D 8.64 4.86 0.00 2.89 2.90 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 37 R 7.76 3.87 0.00 1.72 1.92 0.00 3.02 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 38 I 7.40 3.72 1.82 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.56 0.73 0.00 0.00 39 A 8.00 4.05 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 40 D 7.98 4.32 0.00 2.82 2.73 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 41 K 7.44 4.14 0.00 1.90 1.85 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.57 7.81 42 L 7.95 4.51 0.00 1.83 1.97 0.53 1.01 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 43 R 7.47 4.29 0.00 1.90 1.92 0.00 3.27 0.00 0.00 3.47 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 44 D 9.13 4.64 0.00 2.82 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 45 K 7.82 4.07 0.00 1.68 1.15 0.00 1.70 0.00 0.00 1.45 0.00 0.00 2.79 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.51 7.81 46 E 8.20 4.60 0.00 1.81 1.64 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 2.10 2.30 0.00 47 F 8.62 4.89 0.00 2.82 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 48 K 9.12 4.11 0.00 1.78 2.22 0.00 1.86 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.48 7.81 49 S 7.60 4.96 0.00 4.18 4.04 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 50 F 9.28 4.18 0.00 3.07 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 51 D 8.32 4.37 0.00 2.89 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 52 D 8.21 4.45 0.00 3.17 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 53 F 8.01 2.88 0.00 2.65 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.78 3.46 0.00 1.73 2.07 0.00 3.30 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.85 0.00 55 K 8.32 4.25 0.00 1.94 1.99 0.00 1.82 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.56 7.81 56 A 7.70 3.93 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 57 V 7.01 3.05 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 0.19 0.00 0.00 0.01 0.00 0.00 58 W 7.55 4.46 0.00 3.48 3.28 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 59 E 8.24 4.02 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 2.36 2.53 0.00 60 E 8.32 4.08 0.00 1.99 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 2.46 2.38 0.00 61 V 8.07 3.62 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 1.41 0.00 0.00 1.07 0.00 0.00 62 S 8.18 4.23 0.00 4.10 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 0.00 63 K 7.61 4.46 0.00 1.82 1.88 0.00 1.68 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.43 1.60 7.81 64 D 7.52 4.68 0.00 2.80 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 65 P 0.00 4.59 0.00 2.30 2.29 0.00 3.72 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 2.04 0.00 66 E 8.22 4.04 0.00 2.07 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 0.00 2.32 2.45 0.00 67 L 7.93 4.30 0.00 1.69 1.76 0.52 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.67 4.26 0.00 4.04 4.39 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 69 K 7.69 4.12 0.00 1.97 2.14 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.72 1.52 7.81 70 N 7.64 4.81 0.00 2.81 2.95 0.00 0.00 6.86 7.74 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 71 L 7.64 4.75 0.00 1.81 1.61 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.41 4.72 0.00 2.96 2.99 0.00 0.00 6.20 7.76 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 73 P 0.00 4.25 0.00 2.18 2.17 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 74 S 7.98 4.16 0.00 3.86 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 75 N 8.16 4.51 0.00 2.79 2.91 0.00 0.00 7.11 7.38 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 76 K 8.47 4.00 0.00 2.01 1.89 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.68 7.81 77 S 7.91 4.11 0.00 4.06 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 78 S 7.99 4.29 0.00 4.11 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 79 V 8.19 4.07 2.46 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 0.97 0.00 0.00 1.11 0.00 0.00 80 S 7.86 4.16 0.00 4.02 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 81 K 7.45 4.08 0.00 0.79 0.91 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.32 1.19 7.81 82 G 7.98 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 83 Y 7.23 4.60 0.00 3.02 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 84 S 8.14 2.79 0.00 3.59 3.45 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 85 P 0.00 4.51 0.00 2.13 2.00 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.41 0.00 86 F 9.05 4.59 0.00 2.93 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.13 4.11 3.78 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 0.10 0.00 0.00 88 P 0.00 4.34 0.00 2.18 2.03 0.00 3.56 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 2.15 2.12 0.00 89 K 8.89 3.78 0.00 1.76 1.81 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.43 7.81 90 N 8.11 4.56 0.00 2.84 2.92 0.00 0.00 5.89 7.39 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 91 Q 8.14 4.45 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 92 Q 7.66 4.59 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 93 V 8.24 4.25 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 1.03 0.00 0.00 0.93 0.00 0.00 94 G 8.44 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 0.00 0.00 0.00 95 G 8.87 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 8.13 4.32 0.00 2.00 2.00 0.00 3.04 0.00 0.00 3.14 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 97 K 8.31 4.57 0.00 1.86 1.99 0.00 1.66 0.00 0.00 2.01 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.59 1.43 7.81 98 V 7.04 4.56 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 -0.18 0.00 0.00 0.71 0.00 0.00 99 Y 8.13 4.23 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 0.00 100 E 9.50 4.92 0.00 1.88 1.91 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 2.25 2.45 0.00 101 L 8.85 4.89 0.00 1.96 1.93 0.95 1.08 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 0.00 102 H 9.40 4.97 0.00 2.91 3.06 0.00 5.76 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 H 8.51 4.93 0.00 2.89 3.25 0.00 5.96 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.97 4.33 0.00 2.63 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 0.00 105 K 8.74 4.26 0.00 1.77 1.76 0.00 1.68 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.38 7.81 106 P 0.00 4.53 0.00 2.19 1.95 0.00 3.64 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 107 I 8.57 3.83 1.69 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.77 0.76 0.00 0.00 108 S 7.96 4.24 0.00 3.95 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 0.00 109 Q 8.08 4.43 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.70 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 110 G 8.22 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 0.00 111 G 7.88 4.06 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 0.00 0.00 0.00 112 E 8.38 4.22 0.00 1.95 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 2.29 2.23 0.00 113 V 8.37 3.27 1.66 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 -0.09 0.00 0.00 0.69 0.00 0.00 114 Y 7.72 4.28 0.00 3.15 2.73 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 D 7.88 4.85 0.00 2.69 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 0.00 116 M 9.21 4.16 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.85 0.00 117 D 8.39 4.47 0.00 2.83 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 0.00 118 N 8.37 4.74 0.00 2.77 2.87 0.00 0.00 6.83 8.41 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 0.00 119 I 7.31 4.99 1.94 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 1.04 0.90 1.07 0.00 0.00 120 R 9.14 4.96 0.00 1.72 1.85 0.00 3.49 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.87 0.00 121 V 9.02 4.83 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 1.07 0.00 0.00 1.05 0.00 0.00 122 T 9.10 5.39 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 1.19 0.00 0.00 123 T 8.43 4.26 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 1.13 0.00 0.00 124 P 0.00 4.21 0.00 2.23 2.11 0.00 3.59 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.29 0.00 125 K 8.00 3.84 0.00 1.89 1.94 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 126 R 7.82 3.90 0.00 1.98 1.91 0.00 3.20 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 127 H 8.66 4.20 0.00 3.34 3.33 0.00 5.66 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 0.00 128 I 7.91 3.68 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.23 0.90 0.00 0.00 129 D 7.73 4.37 0.00 2.81 2.73 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 0.00 130 I 8.01 3.83 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.72 0.79 0.00 0.00 131 H 7.98 4.34 0.00 3.09 3.34 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 7.57 4.37 0.00 1.84 1.96 0.00 3.24 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 133 G 7.85 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 0.00 0.00 0.00