NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.4607 8.3149 122.1445 54.8265 33.9778 175.9617 6 S 4.6646 7.9586 115.3566 58.8008 62.3321 171.9728 7 H 4.4292 8.5227 127.9953 57.2726 32.2785 171.3327 8 R 4.2681 7.5166 121.0599 55.4268 35.5356 174.7514 9 G 3.9969 7.8359 106.0986 44.7667 0.0000 172.0237 10 E 4.4774 7.5146 116.0022 54.0837 32.5680 174.4711 11 Y 4.8396 7.9989 115.9866 56.1951 41.6558 175.8223 12 S 4.5676 8.4680 117.7896 58.1931 64.2264 175.2337 13 V 3.9624 8.3276 115.9384 63.8053 31.7913 177.0605 14 C 5.3427 7.8801 114.6713 55.0952 41.0314 173.3572 15 D 5.1692 8.6309 121.7696 52.7914 42.7097 175.6023 16 S 5.3390 8.6694 116.8180 56.3982 66.3645 172.8437 17 E 4.7833 9.5867 119.0042 54.7847 32.7414 174.8956 18 S 5.0756 8.2589 116.9387 57.2074 65.7774 172.9344 19 L 4.2645 7.7761 120.0545 54.9865 43.9754 173.3389 20 W 5.1783 8.7564 120.0811 55.5344 30.7886 175.9256 21 V 4.5690 9.4882 125.7119 61.7148 32.6398 175.8460 22 T 4.6996 8.9879 117.6762 61.6915 69.9378 174.5569 23 D 4.9367 7.9881 120.2558 52.6557 40.0205 175.3965 24 K 4.1171 8.4197 121.5531 57.2000 32.5774 176.2353 25 S 4.9260 8.7897 119.9814 58.5355 65.8124 173.7704 26 S 5.0939 7.9647 112.6244 56.9472 66.1732 172.8671 27 A 4.6562 9.0528 122.2058 51.0819 23.5169 174.9006 28 I 4.8676 8.2189 119.8483 60.0238 39.0811 176.4990 29 D 5.0549 9.1143 128.4404 52.1266 41.1388 176.9139 30 I 3.6313 7.9870 118.5085 64.0827 37.8362 176.7932 31 R 4.2706 8.1985 117.4147 55.7126 29.6746 176.3584 32 G 4.0221 8.0209 104.9483 46.8441 0.0000 173.8665 33 H 4.8395 8.5385 116.5266 53.7653 30.5955 173.9519 34 Q 4.7648 8.4380 123.1081 56.1046 29.4770 175.3560 35 V 4.6475 9.0629 119.2022 59.8639 36.6261 174.4594 36 T 4.7922 8.7665 119.0949 62.5045 70.4297 174.3169 37 V 4.3467 8.9339 127.4574 61.0372 32.3180 175.6489 38 L 4.0927 8.2484 128.4172 55.1654 41.8409 178.1925 39 G 3.9241 8.8450 109.0390 48.6840 0.0000 172.5417 40 E 5.3270 7.8606 116.2446 55.1059 33.6736 174.5900 41 I 4.4425 8.6181 119.4657 59.0548 40.2989 175.7637 42 K 4.2151 8.8519 127.1297 57.0696 32.1440 176.9037 43 T 4.6768 8.3104 120.1516 60.9537 67.8799 172.8291 44 G 3.5832 8.0426 102.9756 47.8726 0.0000 172.4413 45 N 4.5411 7.0202 115.9687 52.2674 40.7500 172.6981 46 S 4.7385 8.0041 114.3823 54.9032 64.8615 171.7417 47 P 4.6549 0.0000 0.0000 63.0579 32.0945 175.9032 48 V 4.4267 8.3527 115.3679 59.7423 33.9257 175.5783 49 K 4.4324 8.6186 123.7066 56.4091 33.0240 176.1673 50 Q 4.2632 8.6618 126.3998 55.2567 29.6813 174.2303 51 Y 4.9698 7.2868 123.1610 56.0455 41.7032 173.6395 52 F 5.0489 9.5116 117.0962 55.8958 43.4234 173.8911 53 Y 4.7011 8.9472 123.2387 56.3699 39.5028 174.4182 54 E 4.8145 8.4673 126.5323 54.6431 33.3526 175.1024 55 T 4.9188 8.3101 117.0438 60.2832 70.4566 172.8891 56 R 4.7655 8.7997 123.7744 54.0182 33.8283 173.5479 57 C 4.7009 8.7112 117.1702 57.2468 40.1032 174.7326 58 K 4.0201 9.0540 124.5717 59.0272 32.0864 176.4702 59 E 4.6139 7.6792 113.5980 55.1698 32.7588 174.7667 60 A 4.6048 8.4499 119.3489 53.2756 20.0086 176.9302 61 R 5.2630 7.4067 113.2355 53.2427 30.6004 172.6779 62 P 4.5641 0.0000 0.0000 64.1150 32.0793 177.2800 63 V 4.4238 6.9450 110.7467 60.3636 34.3934 177.9659 64 K 4.4017 7.0780 117.1359 56.7733 33.7399 177.7353 65 N 4.6889 8.2055 118.4769 55.3129 40.6181 176.7452 66 G 4.1249 7.5420 109.7782 46.5737 0.0000 175.2480 67 C 4.5024 6.4274 120.4306 55.6938 41.4333 173.0308 68 R 4.0055 8.5881 124.0902 57.8758 30.0098 177.2432 69 G 3.9809 8.9040 112.7201 45.3585 0.0000 173.4505 70 I 4.0283 6.9040 119.9365 60.6205 38.0065 176.7291 71 D 4.7239 8.5769 124.1235 54.2520 38.7791 176.1541 72 D 5.2032 8.2145 122.3091 54.1649 40.2389 178.4059 73 K 3.9509 8.3192 121.0734 59.3815 32.5134 176.6416 74 H 4.7472 8.0021 112.9998 55.2165 31.3112 174.2128 75 W 5.3573 8.3196 118.5734 54.7041 33.0320 174.9189 76 N 5.0933 9.2503 121.7084 53.7338 39.3946 174.1161 77 S 5.4012 8.1499 113.9051 58.5780 66.8766 172.8168 78 Q 4.5883 8.2014 115.7367 55.3125 33.0526 173.9928 79 C 4.9773 8.9461 121.9624 56.2035 40.4224 173.1915 80 K 4.6929 9.0385 124.1616 54.3234 34.6084 175.9909 81 T 4.3935 8.6907 122.1051 64.1279 68.8750 173.6964 82 S 4.8308 8.9892 121.0172 56.7788 66.1553 173.3294 83 Q 5.0125 8.3678 119.6017 55.0372 31.4780 173.8789 84 T 4.4228 8.5853 114.5470 61.3502 71.7494 171.3069 85 Y 5.5285 8.3648 120.1818 56.7599 39.5673 175.8315 86 V 5.0739 9.2933 122.7161 61.2719 35.8027 174.4012 87 R 4.2944 8.4107 124.1770 55.7062 30.8901 175.8171 88 A 4.8742 8.9210 124.2879 49.8790 23.4994 174.8064 89 L 3.6882 7.3857 124.0835 54.8156 43.1045 176.0874 90 T 5.2407 8.6016 115.7426 60.7297 72.8902 172.4568 91 S 4.9048 8.7626 115.1244 56.7484 67.2866 172.2961 92 E 4.7173 8.5960 121.4767 54.9252 32.0415 175.6743 93 N 4.0541 9.6563 125.5041 54.6545 36.2621 174.0599 94 N 4.1936 8.2082 111.2669 54.1538 38.2638 173.7926 95 K 4.4980 8.4444 115.2243 56.8320 34.6333 176.2944 96 L 4.8558 7.4422 117.0572 52.6965 40.7453 176.6908 97 V 3.8731 7.9288 112.8078 61.0153 32.8129 177.1848 98 G 3.9203 8.1464 111.6121 46.3072 0.0000 171.0434 99 W 5.0628 8.6936 119.4909 55.7249 30.4430 176.6711 100 R 4.7583 8.8118 121.4784 54.3886 34.9911 174.0598 101 W 5.0558 8.7800 121.6707 56.1673 30.5680 175.5211 102 I 5.2767 9.5189 117.8439 59.1689 41.0411 174.4167 103 R 4.8508 8.3677 123.2142 55.3811 30.7822 176.0825 104 I 4.6822 8.6661 117.0243 58.7173 41.9707 174.2588 105 D 4.8543 8.6116 122.9620 54.9647 41.2071 176.7771 106 T 4.6975 8.7664 116.0251 61.6099 69.5942 172.7621 107 S 4.5717 7.5174 113.9390 58.1906 66.4351 174.0066 108 C 5.3328 8.6821 119.3675 54.9718 42.3150 173.2800 109 V 4.6669 8.8769 118.8741 59.6165 35.7474 173.5980 110 C 5.1392 8.7103 122.4293 55.5084 39.2958 172.4040 111 A 4.8088 8.8579 127.8403 50.1546 21.0411 175.4921 112 L 5.0211 8.4171 122.6571 53.9973 43.5846 176.2796 113 S 4.9078 9.0944 115.1752 56.8593 66.7818 173.2633 114 R 4.3667 8.7725 122.0198 55.8005 30.9898 176.2527 115 K 4.2596 7.8109 122.1673 56.7592 31.6401 176.9141 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 5 K 8.31 4.46 0.00 1.79 1.17 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 6 S 7.96 4.66 0.00 3.91 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 7 H 8.52 4.43 0.00 2.99 3.08 0.00 5.72 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 7.52 4.27 0.00 1.61 1.56 0.00 3.19 0.00 0.00 3.17 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 9 G 7.84 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 10 E 7.51 4.48 0.00 1.95 1.80 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 2.05 2.17 0.00 11 Y 8.00 4.84 0.00 2.94 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 12 S 8.47 4.57 0.00 3.95 3.86 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 13 V 8.33 3.96 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 0.72 0.00 0.00 0.91 0.00 0.00 14 C 7.88 5.34 0.00 2.79 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 15 D 8.63 5.17 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 16 S 8.67 5.34 0.00 3.85 3.77 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 17 E 9.59 4.78 0.00 1.89 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 2.27 2.19 0.00 18 S 8.26 5.08 0.00 3.64 3.16 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 19 L 7.78 4.26 0.00 1.64 1.63 0.91 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 20 W 8.76 5.18 0.00 3.27 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 21 V 9.49 4.57 2.31 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 1.16 0.00 0.00 1.04 0.00 0.00 22 T 8.99 4.70 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 1.12 0.00 0.00 23 D 7.99 4.94 0.00 2.79 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 24 K 8.42 4.12 0.00 1.82 1.98 0.00 1.15 0.00 0.00 1.47 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.40 7.81 25 S 8.79 4.93 0.00 3.91 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 26 S 7.96 5.09 0.00 3.94 3.81 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 0.00 0.00 0.00 27 A 9.05 4.66 1.16 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 28 I 8.22 4.87 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 1.41 1.10 0.98 0.00 0.00 29 D 9.11 5.05 0.00 3.01 2.88 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 30 I 7.99 3.63 1.39 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.35 0.88 0.00 0.00 31 R 8.20 4.27 0.00 1.83 1.86 0.00 3.54 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 32 G 8.02 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 33 H 8.54 4.84 0.00 3.19 3.29 0.00 5.63 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 34 Q 8.44 4.76 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 35 V 9.06 4.65 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 0.74 0.00 0.00 0.94 0.00 0.00 36 T 8.77 4.79 4.31 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 1.24 0.00 0.00 37 V 8.93 4.35 2.28 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 1.00 0.00 0.00 0.92 0.00 0.00 38 L 8.25 4.09 0.00 1.60 1.65 0.87 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.84 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 40 E 7.86 5.33 0.00 2.00 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 2.16 2.32 0.00 41 I 8.62 4.44 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.88 1.02 0.00 0.00 42 K 8.85 4.22 0.00 1.61 1.77 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.51 7.81 43 T 8.31 4.68 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 1.34 0.00 0.00 44 G 8.04 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 7.02 4.54 0.00 2.65 2.69 0.00 0.00 6.70 7.63 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 46 S 8.00 4.74 0.00 3.83 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 47 P 0.00 4.65 0.00 2.11 2.03 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 48 V 8.35 4.43 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 0.74 0.00 0.00 0.92 0.00 0.00 49 K 8.62 4.43 0.00 1.78 1.99 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.47 7.81 50 Q 8.66 4.26 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.65 0.00 0.00 0.00 0.00 0.00 2.00 1.92 0.00 51 Y 7.29 4.97 0.00 3.28 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 52 F 9.51 5.05 0.00 3.13 3.07 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 53 Y 8.95 4.70 0.00 2.66 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 54 E 8.47 4.81 0.00 1.76 1.65 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 2.17 2.24 0.00 55 T 8.31 4.92 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 1.04 0.00 0.00 56 R 8.80 4.77 0.00 1.80 1.91 0.00 2.79 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.00 57 C 8.71 4.70 0.00 2.86 3.25 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 58 K 9.05 4.02 0.00 1.82 1.86 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.58 1.52 7.81 59 E 7.68 4.61 0.00 2.04 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 2.24 2.19 0.00 60 A 8.45 4.60 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 61 R 7.41 5.26 0.00 1.75 1.83 0.00 3.51 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 62 P 0.00 4.56 0.00 2.02 2.14 0.00 3.85 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.09 0.00 63 V 6.95 4.42 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 0.70 0.00 0.00 0.92 0.00 0.00 64 K 7.08 4.40 0.00 1.80 1.59 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.09 7.81 65 N 8.21 4.69 0.00 2.72 2.92 0.00 0.00 6.70 7.65 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 66 G 7.54 4.12 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 0.00 67 C 6.43 4.50 0.00 2.94 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 68 R 8.59 4.01 0.00 1.83 1.85 0.00 3.20 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 69 G 8.90 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 70 I 6.90 4.03 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.36 1.03 0.00 0.00 71 D 8.58 4.72 0.00 2.88 2.93 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 72 D 8.21 5.20 0.00 2.86 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 73 K 8.32 3.95 0.00 1.70 1.60 0.00 1.15 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.31 7.81 74 H 8.00 4.75 0.00 2.74 2.77 0.00 5.81 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 W 8.32 5.36 0.00 3.31 3.07 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 76 N 9.25 5.09 0.00 2.83 2.79 0.00 0.00 6.30 7.19 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 77 S 8.15 5.40 0.00 3.83 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 Q 8.20 4.59 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.06 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 79 C 8.95 4.98 0.00 3.00 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 80 K 9.04 4.69 0.00 1.59 1.66 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.36 7.81 81 T 8.69 4.39 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 1.21 0.00 0.00 82 S 8.99 4.83 0.00 3.81 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 83 Q 8.37 5.01 0.00 1.78 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 84 T 8.59 4.42 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 1.26 0.00 0.00 85 Y 8.36 5.53 0.00 2.97 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 86 V 9.29 5.07 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 1.27 0.00 0.00 1.14 0.00 0.00 87 R 8.41 4.29 0.00 1.27 1.74 0.00 3.20 0.00 0.00 2.52 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 88 A 8.92 4.87 1.37 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 89 L 7.39 3.69 0.00 0.69 1.05 0.17 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.60 5.24 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 1.21 0.00 0.00 91 S 8.76 4.90 0.00 3.87 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 92 E 8.60 4.72 0.00 2.03 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 0.00 2.28 2.32 0.00 93 N 9.66 4.05 0.00 2.84 2.81 0.00 0.00 7.07 8.00 0.00 0.00 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 N 8.21 4.19 0.00 2.81 2.88 0.00 0.00 7.10 6.68 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 95 K 8.44 4.50 0.00 1.70 1.80 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.36 7.81 96 L 7.44 4.86 0.00 1.47 1.57 0.92 0.92 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 97 V 7.93 3.87 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 0.61 0.00 0.00 0.89 0.00 0.00 98 G 8.15 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 99 W 8.69 5.06 0.00 3.12 3.06 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 0.00 100 R 8.81 4.76 0.00 1.70 1.78 0.00 3.11 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 101 W 8.78 5.06 0.00 3.17 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 0.00 102 I 9.52 5.28 1.90 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.15 0.96 0.00 0.00 103 R 8.37 4.85 0.00 1.62 1.73 0.00 3.19 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.90 0.00 104 I 8.67 4.68 1.76 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 1.24 1.20 0.62 0.00 0.00 105 D 8.61 4.85 0.00 2.68 2.75 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 0.00 106 T 8.77 4.70 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 1.24 0.00 0.00 107 S 7.52 4.57 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 0.00 108 C 8.68 5.33 0.00 2.98 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 0.00 109 V 8.88 4.67 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 0.58 0.00 0.00 0.90 0.00 0.00 110 C 8.71 5.14 0.00 2.94 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 0.00 111 A 8.86 4.81 1.19 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 0.00 0.00 0.00 112 L 8.42 5.02 0.00 1.27 1.27 -0.14 0.55 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 0.00 113 S 9.09 4.91 0.00 3.91 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 0.00 114 R 8.77 4.37 0.00 1.88 1.82 0.00 3.10 0.00 0.00 2.95 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.92 0.00 115 K 7.81 4.26 0.00 1.66 1.67 0.00 1.97 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.48 7.81