NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1542 8.0549 114.0585 61.1185 33.0330 174.9186 2 L 4.0132 8.1910 123.0225 51.9780 42.7640 175.8646 3 S 4.4864 8.4961 117.2694 57.9343 66.1909 174.8398 4 E 4.2762 8.7363 121.6860 59.0883 29.3497 178.4686 5 G 3.7258 8.1559 105.5199 48.1476 0.0000 175.3578 6 E 3.9533 7.7835 119.8238 58.6533 29.3651 179.5298 7 W 4.2503 7.9654 119.1178 59.5312 29.0223 178.2778 8 Q 4.0726 8.3245 119.6859 59.2479 28.6550 178.1852 9 L 4.0328 7.8846 119.9405 58.0496 41.6528 179.8992 10 V 3.7593 7.6697 117.3452 66.1726 31.4969 178.0527 11 L 4.3678 8.3893 118.4779 57.5756 41.3021 178.8366 12 H 4.2285 8.4412 118.3749 58.9821 30.0643 177.2894 13 V 3.8090 7.9850 120.8122 64.2983 31.4024 178.2659 14 W 3.8676 8.8155 129.2772 59.8829 30.3444 177.3317 15 A 4.1654 8.3074 119.4927 53.7388 18.1011 178.2645 16 K 4.3555 7.8179 115.8071 56.4360 34.2360 178.5077 17 V 2.8726 7.0536 118.4043 65.4792 31.0269 177.3054 18 E 3.9053 7.9716 118.1200 58.3476 29.4517 178.2819 19 A 4.3086 7.3445 120.1388 53.8398 19.5810 177.1263 20 D 4.5831 7.5541 117.2440 51.2899 41.8591 175.7414 21 V 3.5983 8.1069 124.0602 65.4244 31.8552 176.9158 22 A 4.2856 8.0340 120.0571 54.5150 18.4771 179.7462 23 G 3.7152 8.2095 105.8397 47.7151 0.0000 175.7688 24 H 4.1722 8.0696 118.7232 58.4727 28.7125 178.0438 25 G 3.6543 8.4273 107.9491 47.9662 0.0000 175.5031 26 Q 3.9035 7.9963 121.8749 58.8685 28.9964 177.8063 27 D 4.3223 8.0100 120.0051 57.3246 40.7673 178.9238 28 I 3.6477 7.7844 120.2084 64.4788 37.1845 178.5997 29 L 3.5618 7.7007 119.7655 57.2977 41.2597 179.6813 30 I 3.6549 7.4344 119.5458 64.2569 37.0947 178.0040 31 R 3.8175 8.0309 119.9274 59.6340 29.7075 178.0658 32 L 3.9151 7.9520 120.0102 58.3235 42.1367 179.0206 33 F 4.5850 8.4444 118.0012 60.3863 38.5509 177.8858 34 K 4.0670 8.3358 117.9771 59.3564 32.0793 179.2951 35 S 4.3426 7.9460 114.5745 60.2265 63.8145 174.1780 36 H 4.6396 8.2296 119.0803 52.1159 29.3492 171.9359 37 P 4.7954 0.0000 0.0000 64.5525 31.3290 177.4473 38 E 4.0423 8.3437 116.2021 59.2994 29.2466 179.0432 39 T 3.8220 8.2075 111.3342 64.3432 68.9361 176.3428 40 L 3.9242 8.2986 123.7141 57.6689 41.8219 178.3405 41 E 4.1808 7.6859 117.1103 58.6289 29.3801 178.8159 42 K 4.4151 8.0848 118.1389 57.2696 32.5006 176.5970 43 F 4.6775 8.4812 118.5803 55.5365 39.0492 175.9416 44 D 4.4731 8.7421 127.5492 57.2201 40.8482 179.6302 45 R 4.0320 7.8860 114.1632 58.0785 29.9042 177.0338 46 F 5.0201 7.7509 115.7270 56.9566 39.7548 177.3823 47 K 3.9931 7.6744 120.3098 59.5270 31.9413 178.1831 48 H 4.3537 8.1767 113.1365 57.7362 28.7646 175.7392 49 L 4.2422 7.3628 121.0733 54.6112 41.7292 176.8730 50 K 4.5499 10.3601 121.5712 55.0989 34.5693 176.5841 51 T 4.7264 7.5852 108.2555 58.9628 73.1283 174.2737 52 E 3.8966 8.5690 121.2967 59.2020 29.6736 178.4997 53 A 3.9550 7.9814 120.4389 55.2756 18.5481 179.0897 54 E 3.8969 8.1981 116.8943 59.9108 29.3204 179.6086 55 M 3.9355 7.6647 117.2406 58.4396 32.1848 178.9137 56 K 4.0415 8.1668 116.7848 58.7392 32.1763 178.6609 57 A 4.3699 7.4326 120.1385 52.9313 18.9981 177.4982 58 S 4.0200 7.5607 112.6228 58.8874 62.5638 174.6833 59 E 4.0590 8.8355 128.6598 58.7301 29.4754 178.0726 60 D 4.4508 8.0941 118.0924 57.2394 41.4372 177.3228 61 L 3.6569 8.1539 121.2362 58.3216 41.9852 179.0126 62 K 3.8574 7.8488 118.9620 59.1134 31.8890 178.3824 63 K 4.1124 7.8114 119.8778 59.3137 32.2470 178.4801 64 H 4.3594 8.6840 116.9110 58.4309 28.6348 177.7858 65 G 3.7172 8.4052 107.9403 48.0820 0.0000 175.7554 66 V 3.6633 7.7720 121.0963 65.8067 31.4102 178.3120 67 T 3.8820 7.7150 115.1989 66.7273 68.3143 176.8467 68 V 3.7000 7.9425 120.1028 66.0464 31.4729 177.9162 69 L 4.3323 8.0612 118.5319 57.7355 41.4037 179.4147 70 T 3.9850 8.2113 115.3119 66.3485 68.6772 176.3991 71 A 4.1528 8.1449 122.8225 55.0835 18.5066 179.3371 72 L 3.8523 8.3609 119.4477 58.3019 42.1740 179.3875 73 G 3.4091 8.4198 105.4427 47.7592 0.0000 175.5230 74 A 4.0500 7.6578 121.6682 54.8189 18.7135 179.5545 75 I 3.8166 7.4314 118.0683 64.4364 37.2711 178.4045 76 L 3.9556 7.7580 119.8520 57.5525 41.1928 179.2656 77 K 4.0573 7.6166 116.2426 57.6002 32.2910 177.2839 78 K 4.0525 7.4176 120.4532 55.3229 31.8568 175.0931 79 K 2.0000 7.2163 116.8394 55.5357 28.6973 175.3074 80 G 3.8457 7.6510 108.2560 46.6150 0.0000 171.7479 81 H 4.7910 7.4345 116.7591 53.4909 27.8236 173.1174 82 H 5.4464 8.0071 121.4529 54.3513 29.5438 176.4375 83 E 4.0675 8.3548 121.2449 59.8820 29.1400 178.2759 84 A 3.9836 7.9102 121.0110 55.0435 18.8653 178.7384 85 E 4.1802 8.1029 115.8766 58.2075 29.8771 178.5870 86 L 4.0434 7.6699 120.4879 57.4602 42.3071 178.5450 87 K 3.9570 7.8650 119.6599 58.9155 32.0809 177.0384 88 P 4.2509 0.0000 0.0000 65.6067 31.1656 177.8763 89 L 4.0060 8.0389 119.5099 58.2177 41.9827 178.8933 90 A 4.1505 8.1319 120.3145 55.1067 18.2212 179.6850 91 Q 3.8140 8.2249 117.1752 58.9902 28.6923 178.9417 92 S 3.9460 8.3926 115.7677 61.6381 63.1541 176.2111 93 H 4.1497 8.6420 119.7098 57.9193 28.2614 177.7505 94 A 2.9585 7.6645 122.3868 54.7152 18.1911 178.9818 95 T 3.8239 7.6004 106.1546 63.1587 69.9517 176.8532 96 K 4.0436 7.7584 121.3869 58.8992 32.2689 178.2918 97 H 4.5276 7.6132 113.2347 55.8822 29.7279 175.4643 98 K 3.8107 7.0555 117.7012 57.1631 29.8406 175.4066 99 I 4.1606 8.2188 120.0424 59.4024 38.3014 175.2411 100 P 4.5440 0.0000 0.0000 62.2112 32.1921 177.5494 101 I 3.4296 8.1048 120.4267 64.0955 36.8897 178.4398 102 K 3.6033 7.8730 120.2635 59.6908 31.8257 178.0673 103 Y 4.3006 7.7848 116.6000 60.4879 37.8992 177.8212 104 L 4.2184 7.8221 120.1784 57.0068 41.8015 178.7194 105 E 3.9022 8.0370 119.1270 59.3056 29.5752 178.2916 106 F 4.4352 7.6663 117.8205 61.1912 39.0638 177.9892 107 I 3.7958 8.2272 117.3569 63.7562 37.7466 178.0937 108 S 4.1522 8.0469 116.2960 61.4456 62.5963 175.7939 109 E 3.9748 8.4108 121.0999 59.6154 29.3105 178.9853 110 A 4.0210 8.3598 120.4526 55.7429 18.5686 179.8348 111 I 3.7205 7.9320 117.9690 64.5005 37.1828 178.8971 112 I 3.8725 8.0709 120.6555 64.9542 36.9835 177.5097 113 H 3.9933 8.4350 118.7660 60.0270 29.7598 176.9879 114 V 3.5130 8.1771 119.5656 65.9070 31.1774 178.2295 115 L 3.8386 7.5058 117.7986 57.6754 41.0868 178.5085 116 H 4.6718 8.2762 118.3887 59.0326 29.5985 177.1080 117 S 4.0273 7.9776 114.5552 60.6224 62.2654 175.4154 118 R 4.4311 7.4008 116.8383 55.9536 31.6927 176.4283 119 H 4.7876 7.7789 116.9629 53.7781 30.6527 173.0220 120 P 4.9449 0.0000 0.0000 61.1916 29.3665 174.7383 121 G 4.0701 7.4263 114.6876 46.4163 0.0000 172.1115 122 D 4.8240 8.4850 116.2804 53.7610 42.9431 175.6291 123 F 5.0631 7.9534 120.1502 57.6324 39.0028 175.3772 124 G 3.8860 7.4642 110.0396 44.3816 0.0000 171.2047 125 A 3.8493 8.4166 120.4784 54.9419 18.4063 179.9743 126 D 4.1519 7.8615 117.0034 57.4948 41.1497 178.6121 127 A 3.9685 7.7724 120.7663 55.1013 18.4206 179.2819 128 Q 3.2281 7.8786 118.4888 58.7219 29.0075 178.8440 129 G 3.4204 7.8087 106.7239 47.5118 0.0000 175.3490 130 A 3.8100 7.7694 123.7557 55.1945 18.3702 179.4430 131 M 4.0029 8.0217 116.4036 58.6299 32.3381 177.6193 132 N 4.2608 8.2003 117.2529 56.9750 39.1017 176.9896 133 K 4.2038 8.0785 120.5908 58.8225 32.0811 179.2860 134 A 3.9731 8.2254 121.5382 55.1055 18.2840 179.7415 135 L 4.0851 8.0551 117.6063 57.8403 41.4587 179.4981 136 E 4.0213 8.3925 118.7008 59.2751 29.4076 179.0145 137 L 4.0600 8.0695 120.3815 58.0766 42.1603 178.5950 138 F 3.9573 8.3208 120.5421 61.5347 39.1891 177.4664 139 R 3.6170 8.0861 117.3673 58.8580 29.8876 178.6922 140 K 3.7795 8.3383 119.8867 59.9626 32.0404 178.5677 141 D 4.3554 8.1602 118.7643 57.0468 40.5891 178.9542 142 I 3.5605 7.4210 120.2932 64.2945 37.0558 178.3155 143 A 3.7060 8.0921 121.6727 54.6972 18.1311 179.3566 144 A 3.9263 8.0654 119.4711 55.4283 18.4780 179.8661 145 K 3.8875 7.7781 116.7737 59.9382 32.0951 178.8811 146 Y 4.0951 8.4379 117.0652 61.1395 37.8447 178.7189 147 K 3.8894 8.5821 120.6643 59.5908 32.0235 177.9529 148 E 3.9231 7.8675 117.8678 59.6375 29.6793 178.8002 149 L 4.2537 7.8908 116.5540 56.1079 41.6682 178.1920 150 G 3.8759 8.0922 107.0833 45.5215 0.0000 173.2877 151 Y 4.5950 7.8844 115.9855 57.1807 38.4403 176.2759 152 Q 4.4686 8.3984 117.3581 55.8673 29.5049 176.2415 153 G 4.1841 8.6261 106.7207 45.8890 0.0000 173.5447 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 V 8.05 4.15 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 0.93 0.00 0.00 0.97 0.00 0.00 2 L 8.19 4.01 0.00 0.78 0.83 0.52 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.50 4.49 0.00 4.09 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 4 E 8.74 4.28 0.00 2.19 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 2.43 2.51 0.00 5 G 8.16 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 0.00 0.00 0.00 6 E 7.78 3.95 0.00 1.79 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 2.22 2.25 0.00 7 W 7.97 4.25 0.00 3.42 3.21 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 8 Q 8.32 4.07 0.00 2.44 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 9 L 7.88 4.03 0.00 1.96 1.76 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.67 3.76 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 1.22 0.00 0.00 0.89 0.00 0.00 11 L 8.39 4.37 0.00 1.87 1.81 0.96 0.87 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 12 H 8.44 4.23 0.00 3.27 3.48 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.98 3.81 2.27 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 1.03 0.00 0.00 0.86 0.00 0.00 14 W 8.82 3.87 0.00 3.56 3.15 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 15 A 8.31 4.17 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 16 K 7.82 4.36 0.00 1.73 1.77 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.30 7.81 17 V 7.05 2.87 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 -0.06 0.00 0.00 0.02 0.00 0.00 18 E 7.97 3.91 0.00 2.08 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 2.33 2.30 0.00 19 A 7.34 4.31 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 20 D 7.55 4.58 0.00 2.77 2.45 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 21 V 8.11 3.60 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 1.00 0.00 0.00 0.94 0.00 0.00 22 A 8.03 4.29 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 23 G 8.21 3.72 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 0.00 0.00 0.00 24 H 8.07 4.17 0.00 3.28 3.17 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.43 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 0.00 0.00 0.00 26 Q 8.00 3.90 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 27 D 8.01 4.32 0.00 2.83 2.65 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 28 I 7.78 3.65 1.95 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 1.51 0.62 0.88 0.00 0.00 29 L 7.70 3.56 0.00 1.38 0.91 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.43 3.65 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 0.89 0.00 0.00 31 R 8.03 3.82 0.00 2.05 2.00 0.00 3.14 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.88 0.00 32 L 7.95 3.92 0.00 1.63 1.41 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.44 4.58 0.00 3.12 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 34 K 8.34 4.07 0.00 1.76 1.83 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.61 7.81 35 S 7.95 4.34 0.00 3.74 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 36 H 8.23 4.64 0.00 2.91 3.24 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.80 0.00 2.15 2.09 0.00 3.82 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 2.08 1.98 0.00 38 E 8.34 4.04 0.00 2.27 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 0.00 2.37 2.56 0.00 39 T 8.21 3.82 4.41 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 0.00 0.00 0.00 0.76 0.00 0.00 40 L 8.30 3.92 0.00 1.57 1.69 -0.71 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.69 4.18 0.00 2.32 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 0.00 2.51 2.56 0.00 42 K 8.08 4.42 0.00 1.98 1.64 0.00 1.91 0.00 0.00 1.77 0.00 0.00 3.19 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.75 1.90 7.81 43 F 8.48 4.68 0.00 2.96 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 44 D 8.74 4.47 0.00 2.69 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 45 R 7.89 4.03 0.00 1.74 1.88 0.00 2.21 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 0.77 0.50 0.00 46 F 7.75 5.02 0.00 2.78 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.67 3.99 0.00 1.93 1.89 0.00 1.73 0.00 0.00 1.91 0.00 0.00 3.08 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.71 1.56 7.81 48 H 8.18 4.35 0.00 3.26 3.43 0.00 5.53 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.36 4.24 0.00 1.58 1.50 0.65 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 50 K 10.36 4.55 0.00 1.55 1.76 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.34 1.49 7.81 51 T 7.59 4.73 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 1.20 0.00 0.00 52 E 8.57 3.90 0.00 2.04 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 2.35 2.35 0.00 53 A 7.98 3.95 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 54 E 8.20 3.90 0.00 2.22 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 0.00 2.33 2.35 0.00 55 M 7.66 3.94 0.00 1.94 2.23 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.47 0.00 56 K 8.17 4.04 0.00 1.67 1.84 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.65 7.81 57 A 7.43 4.37 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 58 S 7.56 4.02 0.00 3.87 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 59 E 8.84 4.06 0.00 2.14 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 2.40 2.45 0.00 60 D 8.09 4.45 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 61 L 8.15 3.66 0.00 1.20 1.63 0.51 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.85 3.86 0.00 1.79 1.97 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.44 7.81 63 K 7.81 4.11 0.00 2.23 1.87 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.51 7.81 64 H 8.68 4.36 0.00 3.76 3.64 0.00 5.88 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.41 3.72 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 0.00 0.00 0.00 66 V 7.77 3.66 2.24 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 1.14 0.00 0.00 0.99 0.00 0.00 67 T 7.72 3.88 4.48 0.00 0.00 0.00 0.00 0.00 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 68 V 7.94 3.70 2.16 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 1.18 0.00 0.00 1.18 0.00 0.00 69 L 8.06 4.33 0.00 1.88 1.81 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.21 3.99 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 1.26 0.00 0.00 71 A 8.14 4.15 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.36 3.85 0.00 1.76 1.81 0.33 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.42 3.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.66 4.05 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 75 I 7.43 3.82 1.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.02 0.87 0.00 0.00 76 L 7.76 3.96 0.00 1.39 1.53 -0.19 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.62 4.06 0.00 1.69 1.80 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.65 7.81 78 K 7.42 4.05 0.00 1.98 1.64 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.68 7.81 79 K 7.22 2.00 0.00 1.10 0.74 0.00 1.50 0.00 0.00 1.35 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.30 0.50 7.81 80 G 7.65 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.43 4.79 0.00 3.14 3.26 0.00 5.70 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 8.01 5.45 0.00 3.21 3.39 0.00 5.64 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.35 4.07 0.00 2.19 2.27 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 2.36 2.32 0.00 84 A 7.91 3.98 1.32 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 0.00 0.00 85 E 8.10 4.18 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 2.37 2.42 0.00 86 L 7.67 4.04 0.00 1.81 1.63 0.67 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.87 3.96 0.00 1.95 1.79 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.45 7.81 88 P 0.00 4.25 0.00 2.32 2.30 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 89 L 8.04 4.01 0.00 1.83 1.92 1.02 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.13 4.15 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 91 Q 8.22 3.81 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.55 0.00 92 S 8.39 3.95 0.00 3.86 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 93 H 8.64 4.15 0.00 3.48 3.53 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.66 2.96 0.02 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 95 T 7.60 3.82 4.13 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 0.00 0.00 1.01 0.00 0.00 96 K 7.76 4.04 0.00 1.59 1.55 0.00 1.51 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.35 7.81 97 H 7.61 4.53 0.00 3.04 3.20 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.06 3.81 0.00 1.86 1.85 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.36 1.54 7.81 99 I 8.22 4.16 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.93 1.07 0.00 0.00 100 P 0.00 4.54 0.00 1.89 1.99 0.00 3.05 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 0.49 1.38 0.00 101 I 8.10 3.43 1.67 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.30 0.71 0.00 0.00 102 K 7.87 3.60 0.00 1.69 1.60 0.00 1.54 0.00 0.00 1.89 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.22 0.69 7.81 103 Y 7.78 4.30 0.00 3.18 3.10 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 0.00 104 L 7.82 4.22 0.00 1.83 1.92 0.79 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.04 3.90 0.00 1.93 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 2.45 2.43 0.00 106 F 7.67 4.44 0.00 3.27 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 0.00 107 I 8.23 3.80 1.97 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 1.54 1.58 1.06 0.00 0.00 108 S 8.05 4.15 0.00 4.09 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 0.00 109 E 8.41 3.97 0.00 2.46 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 2.43 2.58 0.00 110 A 8.36 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.93 3.72 2.08 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 1.60 1.16 1.05 0.00 0.00 112 I 8.07 3.87 2.00 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 1.67 1.06 1.10 0.00 0.00 113 H 8.44 3.99 0.00 3.33 3.56 0.00 5.78 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.18 3.51 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 0.93 0.00 0.00 0.97 0.00 0.00 115 L 7.51 3.84 0.00 1.25 0.36 0.71 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.28 4.67 0.00 3.58 3.47 0.00 5.79 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 0.00 117 S 7.98 4.03 0.00 3.93 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 0.00 118 R 7.40 4.43 0.00 1.86 1.68 0.00 3.09 0.00 0.00 2.95 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.63 0.00 119 H 7.78 4.79 0.00 3.29 3.23 0.00 5.62 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.94 0.00 2.16 2.00 0.00 3.77 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 121 G 7.43 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 0.00 122 D 8.49 4.82 0.00 2.70 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 0.00 123 F 7.95 5.06 0.00 2.98 3.15 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 0.00 124 G 7.46 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 0.00 125 A 8.42 3.85 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 0.00 126 D 7.86 4.15 0.00 2.72 2.66 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 0.00 127 A 7.77 3.97 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 0.00 128 Q 7.88 3.23 0.00 1.70 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.19 2.07 0.00 129 G 7.81 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 0.00 0.00 0.00 130 A 7.77 3.81 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 0.00 131 M 8.02 4.00 0.00 2.36 2.42 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.92 0.00 132 N 8.20 4.26 0.00 3.03 2.78 0.00 0.00 7.24 5.98 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 0.00 133 K 8.08 4.20 0.00 1.98 1.64 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.33 7.81 134 A 8.23 3.97 1.27 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 0.00 135 L 8.06 4.09 0.00 1.76 1.76 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.39 4.02 0.00 2.03 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 2.30 2.54 0.00 137 L 8.07 4.06 0.00 1.85 2.01 0.97 0.90 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 0.00 138 F 8.32 3.96 0.00 3.28 3.23 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 0.00 139 R 8.09 3.62 0.00 2.23 1.91 0.00 3.20 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 140 K 8.34 3.78 0.00 1.98 1.93 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.48 7.81 141 D 8.16 4.36 0.00 2.68 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 0.00 142 I 7.42 3.56 1.55 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 0.96 -0.12 0.53 0.00 0.00 143 A 8.09 3.71 1.26 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 0.00 0.00 144 A 8.07 3.93 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 0.00 145 K 7.78 3.89 0.00 2.05 1.93 0.00 1.59 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.55 7.81 146 Y 8.44 4.10 0.00 3.02 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 0.00 147 K 8.58 3.89 0.00 1.94 1.99 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.49 7.81 148 E 7.87 3.92 0.00 2.05 2.27 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 2.34 2.38 0.00 149 L 7.89 4.25 0.00 1.89 1.93 0.80 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.09 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 0.00 151 Y 7.88 4.60 0.00 2.80 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 0.00 152 Q 8.40 4.47 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 153 G 8.63 4.18 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 0.00