NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3703 8.3001 120.3273 55.3318 33.0662 177.1663 2 A 4.3883 7.5103 120.0105 48.2621 20.3210 173.6910 3 R 4.6887 8.9057 117.3850 54.7768 33.5648 173.6461 4 E 4.6241 8.6357 119.8562 55.4615 31.4215 175.8464 5 V 4.3197 8.3053 123.2834 60.9336 33.8970 174.8261 6 K 4.7989 8.5949 128.3347 56.5310 33.2910 176.3075 7 L 5.1022 8.6422 122.9232 53.4525 46.8315 175.8827 8 T 4.6156 8.5473 112.2414 60.6492 70.6950 175.7385 9 K 3.8947 8.8077 121.9871 59.7355 32.1016 178.4778 10 A 4.9903 7.5166 121.9641 54.8009 18.4101 179.7145 11 G 3.6057 8.2627 104.3085 47.9014 0.0000 175.4478 12 Y 3.9719 8.2032 121.8681 60.6588 38.8973 177.6248 13 E 4.0646 8.6064 119.7240 59.3729 29.5086 179.4243 14 R 3.8542 8.0101 118.7940 59.4297 30.1282 178.6568 15 L 3.9374 7.6502 118.3722 57.8958 41.5596 179.3118 16 M 3.9015 7.7020 118.7144 58.3581 31.8708 178.6029 17 Q 3.9216 7.9623 119.6695 59.2315 29.2278 178.0927 18 Q 3.9476 8.0316 120.6639 58.8068 29.0423 177.8260 19 L 3.8893 8.1579 122.0924 57.8709 42.1052 178.4940 20 E 3.8869 8.2357 119.2449 59.3820 29.6308 178.8285 21 R 3.8959 7.9678 117.9491 59.5248 30.0949 178.8692 22 E 3.9660 8.2759 118.0991 59.4020 29.4401 179.6270 23 R 3.8921 8.0845 118.0144 59.3240 30.1660 178.8505 24 E 3.9625 8.1277 118.2313 59.6983 29.4244 179.7767 25 R 3.9624 8.1017 117.8711 59.0107 30.0358 178.9659 26 L 3.9478 8.1231 120.5797 58.1754 42.0188 178.5780 27 Q 3.9307 8.0202 117.9939 59.0625 28.6109 178.3473 28 E 3.8765 8.2862 119.5684 59.6902 29.6672 178.9877 29 A 3.9689 8.3154 120.7044 55.4939 18.3033 179.8347 30 T 3.8802 8.3252 114.6164 66.5831 68.7901 177.0837 31 K 3.9232 8.3968 121.9682 59.6040 32.1751 178.9402 32 I 3.7789 8.0774 120.4218 64.1334 36.8185 178.1333 33 L 3.9804 7.5765 120.0506 58.0524 42.1065 178.4545 34 Q 4.0983 8.2692 119.7004 59.3038 28.8767 178.1652 35 E 4.0489 8.1484 119.0314 58.9226 29.2883 178.6884 36 L 4.2424 7.6136 118.6748 55.8812 41.5835 178.2664 37 M 4.0503 7.6160 119.0221 57.1747 32.1497 178.2803 38 E 3.9309 7.9304 116.8533 57.7553 30.6089 178.3384 39 S 3.9019 8.1309 111.2575 60.4375 61.6400 175.6515 40 S 4.4967 8.9051 119.4971 56.3049 61.6951 171.3695 41 D 4.2999 8.4630 126.5868 56.1682 40.7392 175.8054 42 D 4.5591 7.9264 119.1673 55.0808 39.5072 176.0856 43 Y 4.4160 8.8062 119.4019 58.7990 37.9360 176.2884 44 D 4.7375 7.8151 119.0286 53.3543 39.7546 176.1553 45 D 4.7461 7.7017 120.1557 52.6881 41.0263 177.5784 46 S 4.4043 8.6763 117.0963 61.4662 62.6494 176.6566 47 G 3.6326 7.9730 108.4792 47.0253 0.0000 175.2338 48 L 3.9227 8.7309 123.0595 57.7362 42.0848 179.6071 49 E 4.0207 8.1780 117.6764 59.1297 29.6931 178.7885 50 A 3.9854 7.8772 120.2565 55.0604 18.3748 179.6120 51 A 3.9572 8.2839 119.5385 54.9080 18.5641 179.6323 52 K 3.8144 7.9196 118.2126 59.7717 32.2405 178.6242 53 Q 3.9445 8.1784 119.6929 59.1904 28.9723 177.8947 54 E 3.8932 8.0281 119.8074 59.1041 29.5991 178.5950 55 K 3.8435 8.2218 119.3513 59.5137 32.2735 178.1944 56 A 4.2167 7.7350 122.0569 54.5190 18.1986 179.2913 57 R 3.8078 8.3043 117.2012 59.9674 30.1241 178.6778 58 I 3.6862 7.7857 119.2508 64.4635 36.7763 178.2674 59 E 3.9424 8.5134 119.5610 59.2985 29.2305 179.3246 60 A 4.0531 8.1148 120.8679 55.2781 18.4720 179.9029 61 R 3.8571 8.1463 116.6542 59.2887 30.0781 179.5004 62 I 3.6471 7.8301 119.6073 64.6271 37.1271 178.1066 63 D 4.3867 8.4933 120.0716 57.5600 40.2945 179.0651 64 S 4.1121 8.2806 113.6799 61.2831 62.4109 176.2290 65 L 3.9909 7.8520 121.8326 57.6849 41.3348 179.3023 66 E 3.9971 8.3247 118.7530 59.1758 29.1351 178.8404 67 D 4.3271 7.7124 117.4138 57.3707 41.7408 178.0512 68 I 3.8770 7.6271 119.8973 64.4085 37.1963 178.4876 69 L 4.1252 8.1002 120.0533 57.5034 41.1896 179.4563 70 S 4.3573 8.0950 113.2146 60.3392 63.3060 174.8980 71 R 4.6293 7.6034 119.6716 55.5727 31.2919 175.9945 72 A 4.5833 7.7501 121.3303 52.5819 19.6003 178.1369 73 V 4.2198 8.7670 120.2344 60.9912 34.4145 174.4746 74 I 4.5128 8.2491 129.5291 61.0371 37.4379 176.4827 75 L 4.4513 8.6771 127.9580 53.8371 42.4663 176.9684 76 E 4.1160 8.6188 118.7650 56.0079 29.6907 175.8599 77 E 3.6564 8.2290 117.8827 59.7264 29.6799 177.8800 78 G 3.8189 8.0059 121.7133 45.6313 0.0000 172.5742 79 S 4.4399 8.2936 119.1900 56.9178 65.7958 175.5642 80 G 3.8171 8.3920 110.9317 45.4358 0.0000 172.2874 81 E 4.4604 8.3526 118.0399 55.6419 31.0517 176.0616 82 V 4.6540 8.0721 119.3528 61.2256 34.8916 174.6870 83 I 4.1303 8.7895 126.6163 60.9433 38.5886 175.8628 84 G 3.8265 8.8565 115.5463 44.1299 0.0000 170.8117 85 L 4.1278 8.3666 121.2458 56.4241 42.3775 178.1848 86 G 3.9737 9.2725 114.4757 45.2891 0.0000 173.4585 87 S 4.8587 7.7346 116.5955 57.4941 64.1769 173.4142 88 V 4.4608 8.4285 124.2479 61.9372 33.1952 174.4486 89 V 4.5198 9.9518 127.7521 61.1094 34.3839 173.7066 90 E 5.0152 8.9959 127.4402 54.7159 31.6269 175.0508 91 L 5.4367 9.5889 125.1750 52.8135 45.9711 175.0936 92 E 5.1264 8.9724 121.9558 54.5131 33.0408 174.2673 93 D 4.8364 9.5728 127.5092 53.7167 41.2610 175.4400 94 P 4.1718 0.0000 0.0000 65.7030 31.2604 177.8336 95 L 4.1778 7.6530 116.3712 57.1585 41.9174 178.7152 96 S 4.1456 8.8720 115.0372 59.2471 63.4402 175.2352 97 G 3.8889 8.8066 109.2184 46.1524 0.0000 172.9247 98 E 4.2195 7.8523 120.8921 55.8709 30.6881 175.6852 99 R 5.1180 8.5750 125.4271 54.6881 32.2922 175.4209 100 L 4.7222 9.1874 124.5267 53.3976 45.5240 175.0701 101 S 5.2723 8.6599 121.3382 56.8655 65.0410 173.4656 102 V 4.5015 9.1563 122.8488 61.4618 35.8447 173.0424 103 Q 4.9325 8.7818 125.6526 54.1565 31.8959 174.4230 104 V 4.3194 8.5074 127.3788 63.0425 33.0810 175.4735 105 V 4.5698 8.5302 119.7469 60.2614 36.6653 174.4627 106 S 4.5469 8.6219 116.3437 58.0393 63.4219 173.6046 107 P 4.1209 0.0000 0.0000 65.8851 31.1042 178.0692 108 A 4.1646 7.8741 117.4745 53.0854 18.9269 177.3516 109 E 4.3000 8.0174 114.1170 56.0938 30.3057 176.5530 110 A 4.1013 7.1118 122.4447 52.5807 18.8433 176.7332 111 N 4.7694 8.5595 120.3970 52.4697 42.2973 175.6299 112 V 3.6154 8.4463 125.7071 65.4602 31.9693 176.8315 113 L 4.2002 7.9214 118.3986 56.7130 41.9568 176.9800 114 D 4.6615 8.5285 118.4855 53.8849 42.9528 178.3594 115 T 3.7960 8.9195 108.2699 63.7864 67.1668 174.7343 116 P 4.3291 0.0000 0.0000 62.2891 32.3789 176.2574 117 M 3.9364 8.8129 124.0831 55.9895 33.3680 175.6830 118 K 4.8184 9.0247 122.4822 55.6886 34.0353 175.6758 119 I 4.6499 8.8663 126.2866 59.0250 39.8403 175.1654 120 S 4.2564 8.8365 121.1636 59.1339 62.8501 174.5871 121 D 4.2433 8.7822 126.6926 57.7570 40.6768 177.8985 122 A 4.4747 7.8302 118.8401 52.2922 18.7362 177.9021 123 S 4.5424 7.7080 114.9466 58.6106 65.5519 172.2704 124 P 4.1798 0.0000 0.0000 66.5128 30.9409 178.4067 125 M 4.1152 8.0995 116.3065 58.7571 32.0934 179.0624 126 G 3.6477 7.8814 105.2847 47.6303 0.0000 175.6810 127 K 3.9001 8.1842 120.9767 59.1649 32.3851 178.1278 128 A 4.1908 7.6176 119.7278 55.5837 18.4928 179.3969 129 L 4.2322 7.9966 117.0155 56.4344 41.6485 177.2241 130 L 3.9311 7.2157 120.0008 57.3980 41.9804 177.0796 131 G 3.9531 9.2609 115.1129 45.4534 0.0000 172.6523 132 H 4.8256 8.2766 117.2764 54.1580 30.9329 173.5930 133 R 4.9320 9.0265 116.9289 53.5846 32.3014 175.0817 134 V 3.9551 8.1778 117.9173 64.4791 31.9610 175.0155 135 G 4.1900 9.0785 115.0721 45.4142 0.0000 173.6806 136 D 4.8767 8.1156 119.0120 54.2631 42.2745 175.6686 137 V 4.8883 8.1719 119.6655 61.2327 34.1356 174.6747 138 L 4.9231 9.0837 126.8945 53.0740 45.9848 175.4632 139 S 5.0435 8.6922 118.1753 57.3842 64.3695 173.4468 140 L 4.8758 9.2180 125.1429 52.5274 44.4938 176.0971 141 D 4.6740 8.9350 123.7294 55.0395 41.6112 176.0780 142 T 4.7654 8.1860 118.9600 61.0385 72.4611 173.2100 143 P 4.2382 0.0000 0.0000 65.7885 31.4706 177.6668 144 K 4.2108 8.0894 113.9644 55.9978 32.0586 174.6262 145 G 3.1403 7.5580 106.2525 43.5714 0.0000 172.9284 146 R 4.0234 8.4117 127.6253 57.3676 30.4775 176.0409 147 R 4.3955 8.4947 125.4885 54.8985 32.7385 175.0189 148 E 4.9489 8.1116 120.8027 54.4972 31.8598 174.9172 149 F 5.2069 9.6194 125.1150 55.7085 43.1380 173.9395 150 R 4.9372 8.9195 122.1165 54.5818 32.4531 175.4226 151 V 4.0880 8.4036 126.5438 62.8772 31.2675 176.4257 152 V 3.7965 8.6937 129.4950 65.6744 32.2242 176.0135 153 A 4.3856 7.4893 117.9882 51.3346 22.2363 175.4688 154 I 5.0768 8.1832 121.1798 58.4161 36.3925 174.7931 155 H 4.1595 8.9429 122.8412 58.6215 29.7739 175.5454 156 G 3.8238 8.0533 109.4085 46.3816 0.0000 173.9118 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 4.37 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 2 A 7.51 4.39 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 3 R 8.91 4.69 0.00 1.88 1.87 0.00 3.04 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 4 E 8.64 4.62 0.00 1.88 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 2.28 2.30 0.00 5 V 8.31 4.32 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 1.01 0.00 0.00 0.95 0.00 0.00 6 K 8.59 4.80 0.00 1.78 1.73 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.54 1.49 7.81 7 L 8.64 5.10 0.00 1.70 1.58 1.13 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.55 4.62 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 1.24 0.00 0.00 9 K 8.81 3.89 0.00 1.85 1.88 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.70 1.51 7.81 10 A 7.52 4.99 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 11 G 8.26 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.20 3.97 0.00 3.20 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 13 E 8.61 4.06 0.00 2.19 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 2.43 2.74 0.00 14 R 8.01 3.85 0.00 1.98 2.02 0.00 3.44 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 15 L 7.65 3.94 0.00 1.47 1.53 0.86 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 16 M 7.70 3.90 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.12 0.00 17 Q 7.96 3.92 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 18 Q 8.03 3.95 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 19 L 8.16 3.89 0.00 1.75 1.78 0.89 0.65 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 20 E 8.24 3.89 0.00 2.10 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 0.00 2.30 2.39 0.00 21 R 7.97 3.90 0.00 2.03 1.95 0.00 3.16 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.93 0.00 22 E 8.28 3.97 0.00 2.11 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 2.55 2.46 0.00 23 R 8.08 3.89 0.00 2.03 1.97 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 24 E 8.13 3.96 0.00 2.17 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 2.45 2.49 0.00 25 R 8.10 3.96 0.00 2.00 1.97 0.00 3.11 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 26 L 8.12 3.95 0.00 1.83 1.84 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.02 3.93 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.50 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 28 E 8.29 3.88 0.00 2.08 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 2.31 2.39 0.00 29 A 8.32 3.97 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 30 T 8.33 3.88 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 1.21 0.00 0.00 31 K 8.40 3.92 0.00 1.79 1.93 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 32 I 8.08 3.78 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.73 0.90 0.00 0.00 33 L 7.58 3.98 0.00 1.70 1.82 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.27 4.10 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 35 E 8.15 4.05 0.00 2.22 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 2.31 2.33 0.00 36 L 7.61 4.24 0.00 1.88 1.68 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 37 M 7.62 4.05 0.00 1.94 2.17 0.00 0.00 0.00 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.47 0.00 38 E 7.93 3.93 0.00 2.08 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 2.38 2.32 0.00 39 S 8.13 3.90 0.00 3.93 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 40 S 8.91 4.50 0.00 3.81 3.79 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 41 D 8.46 4.30 0.00 2.58 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 42 D 7.93 4.56 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 43 Y 8.81 4.42 0.00 2.83 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 44 D 7.82 4.74 0.00 2.82 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 45 D 7.70 4.75 0.00 2.93 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 46 S 8.68 4.40 0.00 3.89 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 47 G 7.97 3.63 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 0.00 0.00 0.00 48 L 8.73 3.92 0.00 1.72 1.75 1.01 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.18 4.02 0.00 2.04 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 2.42 2.33 0.00 50 A 7.88 3.99 1.42 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 51 A 8.28 3.96 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 52 K 7.92 3.81 0.00 2.12 2.13 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.51 7.81 53 Q 8.18 3.94 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 54 E 8.03 3.89 0.00 2.26 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 2.30 2.36 0.00 55 K 8.22 3.84 0.00 1.86 1.93 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.18 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 56 A 7.74 4.22 1.41 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 57 R 8.30 3.81 0.00 1.95 2.12 0.00 3.25 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 58 I 7.79 3.69 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.57 0.94 0.00 0.00 59 E 8.51 3.94 0.00 2.17 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 2.32 2.32 0.00 60 A 8.11 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 61 R 8.15 3.86 0.00 1.94 1.96 0.00 3.25 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.79 0.00 62 I 7.83 3.65 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.10 0.89 0.00 0.00 63 D 8.49 4.39 0.00 2.70 2.72 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 64 S 8.28 4.11 0.00 3.91 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 65 L 7.85 3.99 0.00 1.83 1.63 0.87 0.90 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 66 E 8.32 4.00 0.00 2.01 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 2.30 2.52 0.00 67 D 7.71 4.33 0.00 2.75 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 I 7.63 3.88 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.02 0.91 0.00 0.00 69 L 8.10 4.13 0.00 1.86 1.71 0.84 -0.29 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 70 S 8.10 4.36 0.00 4.05 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 0.00 71 R 7.60 4.63 0.00 1.83 2.11 0.00 3.24 0.00 0.00 3.23 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.91 0.00 72 A 7.75 4.58 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.77 4.22 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 1.02 0.00 0.00 1.14 0.00 0.00 74 I 8.25 4.51 1.78 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.47 0.87 0.00 0.00 75 L 8.68 4.45 0.00 1.53 1.60 0.96 1.14 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 76 E 8.62 4.12 0.00 2.07 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 0.00 2.28 2.28 0.00 77 E 8.23 3.66 0.00 1.98 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 2.32 2.32 0.00 78 G 8.01 3.82 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 0.00 0.00 0.00 79 S 8.29 4.44 0.00 3.94 3.80 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 80 G 8.39 3.82 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 0.00 0.00 0.00 81 E 8.35 4.46 0.00 1.87 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 2.29 2.25 0.00 82 V 8.07 4.65 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 0.85 0.00 0.00 0.93 0.00 0.00 83 I 8.79 4.13 2.08 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 1.17 0.66 0.92 0.00 0.00 84 G 8.86 3.83 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 0.00 0.00 0.00 85 L 8.37 4.13 0.00 1.62 1.59 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 86 G 9.27 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 0.00 0.00 0.00 87 S 7.73 4.86 0.00 3.90 3.79 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 88 V 8.43 4.46 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.93 0.00 0.00 89 V 9.95 4.52 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 0.91 0.00 0.00 0.93 0.00 0.00 90 E 9.00 5.02 0.00 2.18 1.84 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 2.19 2.25 0.00 91 L 9.59 5.44 0.00 1.28 1.50 0.72 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.97 5.13 0.00 2.06 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 2.24 2.26 0.00 93 D 9.57 4.84 0.00 2.83 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.17 0.00 2.02 2.05 0.00 3.64 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.14 0.00 95 L 7.65 4.18 0.00 1.71 1.63 0.85 0.95 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 96 S 8.87 4.15 0.00 3.97 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 97 G 8.81 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 98 E 7.85 4.22 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 2.38 2.34 0.00 99 R 8.57 5.12 0.00 1.73 1.83 0.00 3.39 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 100 L 9.19 4.72 0.00 1.47 1.11 0.80 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.66 5.27 0.00 3.70 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 0.00 102 V 9.16 4.50 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 0.89 0.00 0.00 0.84 0.00 0.00 103 Q 8.78 4.93 0.00 2.11 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 104 V 8.51 4.32 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 0.89 0.00 0.00 0.92 0.00 0.00 105 V 8.53 4.57 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 0.60 0.00 0.00 0.98 0.00 0.00 106 S 8.62 4.55 0.00 3.88 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 0.00 107 P 0.00 4.12 0.00 2.17 2.13 0.00 3.58 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 108 A 7.87 4.16 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 0.00 109 E 8.02 4.30 0.00 1.96 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 2.28 2.24 0.00 110 A 7.11 4.10 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 0.00 111 N 8.56 4.77 0.00 2.66 2.74 0.00 0.00 6.43 8.94 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 0.00 112 V 8.45 3.62 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 0.85 0.00 0.00 0.92 0.00 0.00 113 L 7.92 4.20 0.00 1.80 1.70 0.92 1.03 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 0.00 114 D 8.53 4.66 0.00 2.58 2.60 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 0.00 115 T 8.92 3.80 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 0.00 116 P 0.00 4.33 0.00 1.93 2.02 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 117 M 8.81 3.94 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.79 0.00 118 K 9.02 4.82 0.00 1.77 1.72 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.55 7.81 119 I 8.87 4.65 1.85 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 1.09 0.95 0.90 0.00 0.00 120 S 8.84 4.26 0.00 3.90 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 0.00 121 D 8.78 4.24 0.00 2.76 2.72 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 0.00 122 A 7.83 4.47 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 0.00 123 S 7.71 4.54 0.00 4.08 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 0.00 124 P 0.00 4.18 0.00 2.18 2.11 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 125 M 8.10 4.12 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.62 0.00 126 G 7.88 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 0.00 127 K 8.18 3.90 0.00 1.86 1.86 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.60 7.81 128 A 7.62 4.19 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 0.00 129 L 8.00 4.23 0.00 1.73 1.74 0.89 0.56 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 0.00 130 L 7.22 3.93 0.00 1.89 1.74 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 131 G 9.26 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 0.00 0.00 0.00 132 H 8.28 4.83 0.00 3.40 3.29 0.00 5.56 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 9.03 4.93 0.00 1.95 2.08 0.00 2.81 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.55 0.00 134 V 8.18 3.96 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 0.87 0.00 0.00 0.95 0.00 0.00 135 G 9.08 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 0.00 0.00 0.00 0.00 136 D 8.12 4.88 0.00 2.71 2.42 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 0.00 137 V 8.17 4.89 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 0.84 0.00 0.00 0.99 0.00 0.00 138 L 9.08 4.92 0.00 1.62 1.52 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 139 S 8.69 5.04 0.00 3.76 3.79 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 0.00 140 L 9.22 4.88 0.00 1.87 1.68 0.88 1.21 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 0.00 141 D 8.94 4.67 0.00 2.69 2.64 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 0.00 142 T 8.19 4.77 4.46 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 0.00 0.00 0.00 1.28 0.00 0.00 143 P 0.00 4.24 0.00 2.05 2.12 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 144 K 8.09 4.21 0.00 1.75 1.84 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.38 7.81 145 G 7.56 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 0.00 0.00 0.00 146 R 8.41 4.02 0.00 1.83 1.90 0.00 3.23 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 147 R 8.49 4.40 0.00 1.49 1.24 0.00 3.15 0.00 0.00 2.95 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.76 0.00 148 E 8.11 4.95 0.00 1.80 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 0.00 2.16 2.31 0.00 149 F 9.62 5.21 0.00 3.01 2.85 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 0.00 150 R 8.92 4.94 0.00 1.88 1.82 0.00 3.12 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 151 V 8.40 4.09 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 0.94 0.00 0.00 1.00 0.00 0.00 152 V 8.69 3.80 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 0.80 0.00 0.00 1.03 0.00 0.00 153 A 7.49 4.39 1.24 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 0.00 154 I 8.18 5.08 1.88 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 1.37 1.49 0.98 0.00 0.00 155 H 8.94 4.16 0.00 3.08 3.39 0.00 5.85 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 0.00 156 G 8.05 3.82 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 0.00 0.00 0.00