NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3208 8.2649 123.5800 51.9907 19.8168 176.4557 3 R 4.0387 8.3293 116.7803 55.9108 30.3998 175.0414 4 R 4.3876 7.6329 118.1555 55.9404 32.6193 174.1670 5 R 4.4018 7.3269 119.2960 54.2766 31.2354 176.4715 6 R 3.4230 9.2340 124.8826 58.3342 31.0711 176.9209 7 A 3.7262 9.6018 118.1558 53.4786 15.8482 176.5406 8 E 3.9012 7.6651 123.1754 54.9299 31.0669 178.3168 9 V 3.6822 8.1001 120.3866 62.8407 32.2353 176.9217 10 R 4.3810 8.2621 125.5453 55.8892 31.1733 175.1381 11 Q 4.5819 8.3273 118.2345 54.5596 31.9929 174.4821 12 L 4.6647 8.3583 123.9846 54.0216 42.5481 176.6921 13 Q 4.2463 8.8900 120.9503 54.7217 27.6099 172.8018 14 P 4.0620 0.0000 0.0000 59.8115 34.6989 175.1691 15 D 4.3976 8.7937 118.9081 55.4090 41.4037 176.9246 16 L 4.7454 8.2122 125.4665 54.8751 42.1474 176.7597 17 V 4.3282 7.5383 118.3457 63.8262 36.0665 172.7536 18 Y 4.5190 8.4661 112.9845 58.9649 41.2217 174.5821 19 G 4.0354 7.9449 108.3508 46.6814 0.0000 173.3163 20 D 4.9994 7.9760 119.1120 51.8636 43.4852 176.1827 21 V 3.6519 8.7233 120.5563 64.6753 31.5706 177.8773 22 L 4.0193 8.2798 119.3067 59.3725 41.7281 178.2337 23 V 4.0061 8.5257 116.2713 66.2315 30.6173 178.1774 24 T 3.6720 7.6229 113.6656 67.1135 68.9073 175.0683 25 A 3.9386 8.4549 122.1532 55.9111 18.1803 179.0791 26 F 4.4224 9.1531 117.1615 61.5572 39.6591 177.8441 27 I 2.9058 7.6313 119.3279 64.2257 36.4964 177.4040 28 N 4.0928 7.8926 116.8496 56.9941 38.8224 176.6741 29 K 4.0274 8.0077 119.2971 59.6690 32.2105 179.0075 30 I 3.7281 7.6026 119.8545 63.7979 37.2685 175.3248 31 M 3.4674 6.9879 120.0991 52.7839 34.6483 176.9220 32 R 4.1745 8.2440 117.5123 59.1532 30.2201 174.0322 33 D 4.6996 8.7658 123.8441 54.2163 38.0711 176.8845 34 G 4.0147 8.2020 104.4827 46.0962 0.0000 175.8747 35 K 4.3095 7.4003 119.2867 55.1829 30.9552 178.6144 36 K 3.7158 8.0602 122.3669 59.5234 33.4486 177.4593 37 N 4.2279 8.4557 113.3139 55.4751 36.4262 175.9994 38 L 3.8016 8.8766 122.2303 57.9283 42.8123 177.2856 39 A 3.8304 8.1450 120.2437 55.1376 18.2296 179.1189 40 A 3.2982 8.1421 118.7510 55.7207 18.3197 179.3167 41 R 3.9028 8.0506 115.4995 60.4282 30.0514 178.8695 42 I 4.2231 8.3284 120.1492 63.8900 37.3544 178.0096 43 F 4.1335 8.2137 121.5732 62.1644 38.9655 176.5616 44 Y 4.4467 8.3150 116.1613 61.4117 37.8541 178.3125 45 D 4.4248 8.8258 119.4973 57.9300 41.0153 179.1901 46 A 3.9653 8.3701 121.2510 55.3395 18.4134 179.0886 47 C 3.6794 8.0857 114.3813 63.0029 28.1954 176.6819 48 K 3.8603 8.2213 119.9240 59.8333 31.5975 179.0096 49 I 3.7042 7.7999 119.6783 65.3387 37.0595 177.6309 50 I 3.6440 7.9554 119.7924 64.3386 36.8564 177.9350 51 Q 4.4883 8.5333 119.6156 57.4424 28.9468 179.3942 52 E 4.1242 8.9066 118.7322 57.3390 29.3853 177.9750 53 K 4.1820 5.6600 116.9414 59.6463 33.2280 176.8893 54 T 4.4693 8.3496 113.0345 60.7038 67.8086 175.3551 55 G 4.3377 7.8902 114.4975 47.6457 0.0000 172.1120 56 Q 4.0362 7.3959 117.5329 53.9475 30.3549 177.0505 57 E 4.7162 8.7748 120.1782 53.8659 32.0063 175.5573 58 P 4.1462 0.0000 0.0000 66.6816 30.9163 177.7174 59 L 3.8781 8.1824 118.8033 58.3700 41.7300 178.5872 60 K 3.9226 8.0131 118.2749 59.6362 32.2420 179.1597 61 V 3.5754 8.0396 118.4917 65.7683 31.3970 177.6003 62 F 4.1673 8.5499 120.7842 61.3841 39.1417 176.9880 63 K 3.9126 8.3598 118.0015 59.7541 31.8633 179.0635 64 Q 3.9143 8.4252 119.5557 59.1016 28.8975 177.9773 65 A 4.0101 8.2678 122.1746 55.2864 18.2693 179.3289 66 V 3.3727 7.8188 116.6801 66.1918 31.3086 177.4713 67 E 3.8863 8.2900 118.7052 59.8271 29.5433 178.6459 68 N 4.4987 8.1663 115.0320 55.9031 38.7454 177.4035 69 V 3.6264 7.8414 119.2773 64.5728 32.1434 176.8667 70 K 4.2362 7.7225 117.1471 56.1847 33.2177 177.2921 71 P 4.9582 0.0000 0.0000 62.6915 31.1065 175.3463 72 R 4.5037 8.4453 114.3987 56.4921 34.8428 174.7523 73 M 5.4835 7.8392 117.2482 53.1425 35.3347 172.9724 74 E 4.7281 9.1505 126.1321 55.0111 34.0074 173.4920 75 V 4.4796 7.9574 118.1862 61.4156 35.0500 174.5758 76 R 4.8244 7.5175 123.8897 54.6025 35.0998 173.7495 77 S 5.4725 8.8984 114.1733 57.3370 64.8064 173.6391 78 R 4.5949 9.2642 122.0600 54.6298 33.5071 174.0554 79 R 5.1077 8.2402 123.0018 55.3366 31.5779 174.1667 80 V 4.2908 8.4445 123.7652 63.7177 36.2941 176.5633 81 G 3.8677 8.3650 106.2892 45.5222 0.0000 173.2273 82 G 3.5582 9.1898 104.4920 44.6343 0.0000 173.0674 83 A 4.5714 6.7054 119.7232 51.7966 22.5862 176.1655 84 N 6.2600 8.8912 115.8613 50.9502 40.1596 173.6771 85 Y 4.3650 8.4117 116.8123 56.2888 42.6341 174.8663 86 Q 4.6283 8.0124 121.9495 55.2602 28.9187 174.8506 87 V 4.5020 8.1610 125.0807 60.2578 34.0525 173.5714 88 P 4.9501 0.0000 0.0000 62.5749 33.1523 174.6042 89 M 4.3490 8.9448 115.7929 55.5250 34.1197 174.6310 90 E 3.2275 8.8608 113.2172 57.6315 30.2578 176.0947 91 V 3.4888 9.1980 123.1518 68.5371 32.8131 170.2922 92 S 3.8600 7.2370 116.1062 53.4255 67.4873 170.6309 93 P 3.7194 0.0000 0.0000 66.7644 30.7026 180.2997 94 R 3.3649 7.6333 115.0152 57.6581 32.7519 176.7806 95 R 3.8157 8.0939 117.1656 59.6033 30.3064 178.7458 96 Q 3.7414 8.4066 119.3871 59.5262 29.4361 178.4813 97 Q 4.1535 9.1186 121.7865 56.8653 28.6398 178.8941 98 S 3.9781 7.8175 115.2958 61.4451 63.4538 176.7152 99 L 3.9414 8.1572 121.5921 57.1106 41.3500 179.0103 100 A 4.5279 7.9967 121.0303 55.8908 18.2245 178.8696 101 L 3.8414 8.3975 118.8778 58.2221 41.9905 178.6459 102 R 3.9227 8.8640 118.0632 60.5895 30.0781 178.4712 103 W 4.4712 8.8459 125.8328 60.7589 31.0214 177.4739 104 L 3.7417 9.1784 117.8634 58.3125 41.2424 180.3332 105 V 3.6353 8.3882 117.3799 67.0101 31.9776 177.7813 106 Q 4.0052 8.9691 117.7754 58.5378 28.2095 178.8535 107 A 3.9023 8.3898 124.2057 56.2308 19.0157 178.8169 108 A 4.1701 8.6454 120.4012 54.4011 18.0580 179.5296 109 N 4.0623 8.8001 116.3867 56.1240 38.9802 177.5251 110 Q 4.1309 8.4001 118.8930 59.1887 29.1646 176.2818 111 R 3.8067 7.4232 117.2770 52.2044 33.5547 176.8137 112 P 4.8359 0.0000 0.0000 60.9749 30.2657 180.4274 113 E 3.4260 8.8874 118.2241 57.4930 30.1205 174.2147 114 R 4.5489 8.3587 113.2470 55.4164 32.5505 176.2116 115 R 4.6034 7.7185 117.2056 53.8087 32.9254 175.5638 116 A 3.9355 8.7703 125.8644 55.6097 18.2401 179.1506 117 A 3.9398 8.0877 117.8198 55.5161 18.2964 179.4441 118 V 3.4516 7.7964 115.8916 66.3554 31.3036 177.7224 119 R 4.4868 7.7763 119.3139 58.9965 29.8300 178.1254 120 I 3.7353 8.0363 119.3485 64.4754 37.1657 177.5854 121 A 4.1074 9.0497 120.8704 53.9432 17.7450 180.2318 122 H 3.9057 7.3050 115.4136 57.8324 29.4428 175.8506 123 E 3.9168 8.8741 122.1919 58.3710 29.2667 178.3580 124 L 3.7636 8.5345 120.1565 59.4529 42.3573 178.6402 125 M 4.1691 8.6744 119.2573 56.9133 31.6292 177.8381 126 D 5.1723 8.9405 121.6099 57.6946 41.1927 179.2207 127 A 3.9178 8.0766 120.6793 54.7476 18.5396 178.8363 128 A 4.2045 8.1515 118.8862 56.0540 18.7971 178.5784 129 E 3.9510 8.9793 118.3687 55.3763 30.2681 176.5509 130 G 4.7316 7.8797 126.0130 44.2925 0.0000 172.6244 131 K 4.5930 7.1594 122.2750 55.3125 34.5666 174.6716 132 G 4.2870 8.1830 114.0070 44.2458 0.0000 173.3792 133 G 3.9054 8.2798 110.0601 48.3965 0.0000 176.2372 134 A 3.8714 8.4446 119.9829 52.8926 17.3713 179.9133 135 V 3.1357 8.8516 125.1171 65.3404 32.0206 175.7963 136 K 4.4763 7.3023 120.6120 57.7373 32.6374 178.2359 137 K 3.8236 8.4111 118.7221 59.5466 32.4468 178.2586 138 K 3.3355 6.6447 117.8499 59.0170 31.5721 177.6399 139 E 4.7646 7.6680 122.3116 59.5317 30.0793 178.0469 140 D 4.3199 8.3298 118.6596 57.6873 40.7339 178.6144 141 V 3.6861 8.6757 118.3754 66.6227 31.7932 177.6668 142 E 3.8093 8.9047 114.8731 60.8638 28.9393 178.9355 143 R 4.6859 7.1377 126.0333 59.4037 29.9852 178.2919 144 M 3.9646 8.1805 119.4292 58.1439 31.9212 176.9952 145 A 4.0343 7.8226 121.1850 52.9292 19.6180 175.7921 146 E 4.2800 8.8861 120.6306 56.4842 29.4240 176.1708 147 A 3.9588 7.3980 119.1317 55.6086 18.8660 178.5063 148 N 4.8355 7.8589 111.7938 52.6922 38.4730 175.1479 149 R 3.9514 8.9592 121.3781 57.2476 29.9151 180.2951 150 A 3.4136 8.2942 118.7492 54.6704 21.2715 179.8910 151 Y 4.2077 7.8331 111.1872 61.6411 38.4600 179.3723 152 A 3.9998 10.0022 122.5868 55.6095 18.4147 179.0672 153 H 4.2653 7.4932 107.9273 57.5901 28.3566 175.4077 154 Y 4.6860 8.1592 117.3897 57.9471 38.2302 176.6047 155 R 4.1025 8.6704 121.5614 55.6109 30.7062 175.5866 156 W 4.4783 8.4854 126.6451 57.8934 30.7025 174.3245 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 A 8.26 4.32 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 3 R 8.33 4.04 0.00 1.89 1.98 0.00 3.41 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 4 R 7.63 4.39 0.00 1.84 1.96 0.00 3.01 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.45 0.00 5 R 7.33 4.40 0.00 1.82 1.82 0.00 3.52 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 6 R 9.23 3.42 0.00 1.78 1.95 0.00 3.35 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 7 A 9.60 3.73 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 8 E 7.67 3.90 0.00 2.07 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 2.29 2.41 0.00 9 V 8.10 3.68 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 0.82 0.00 0.00 0.93 0.00 0.00 10 R 8.26 4.38 0.00 1.84 1.90 0.00 3.20 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 11 Q 8.33 4.58 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 12 L 8.36 4.66 0.00 1.75 1.62 0.95 0.63 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 13 Q 8.89 4.25 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.66 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 14 P 0.00 4.06 0.00 2.11 2.09 0.00 3.79 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 2.06 2.19 0.00 15 D 8.79 4.40 0.00 2.80 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 16 L 8.21 4.75 0.00 1.78 1.74 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.54 4.33 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 0.83 0.00 0.00 0.69 0.00 0.00 18 Y 8.47 4.52 0.00 3.33 2.97 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 19 G 7.94 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 0.00 0.00 0.00 20 D 7.98 5.00 0.00 3.00 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 21 V 8.72 3.65 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.00 0.00 0.00 22 L 8.28 4.02 0.00 1.96 2.37 0.96 0.91 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 23 V 8.53 4.01 2.48 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 1.01 0.00 0.00 1.08 0.00 0.00 24 T 7.62 3.67 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 1.18 0.00 0.00 25 A 8.45 3.94 1.46 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 0.00 0.00 0.00 26 F 9.15 4.42 0.00 3.28 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 27 I 7.63 2.91 1.37 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.40 0.00 0.00 28 N 7.89 4.09 0.00 3.00 2.76 0.00 0.00 7.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.01 4.03 0.00 1.92 1.99 0.00 1.86 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.54 7.81 30 I 7.60 3.73 1.73 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 1.06 -0.36 0.84 0.00 0.00 31 M 6.99 3.47 0.00 2.10 1.79 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 32 R 8.24 4.17 0.00 1.89 1.87 0.00 3.05 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 33 D 8.77 4.70 0.00 2.84 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 34 G 8.20 4.01 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 0.00 0.00 0.00 35 K 7.40 4.31 0.00 2.06 1.78 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.36 7.81 36 K 8.06 3.72 0.00 1.72 1.80 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.35 7.81 37 N 8.46 4.23 0.00 3.03 2.83 0.00 0.00 5.87 6.67 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 38 L 8.88 3.80 0.00 1.76 1.72 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.14 3.83 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 40 A 8.14 3.30 1.10 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 0.00 0.00 41 R 8.05 3.90 0.00 2.06 2.01 0.00 3.17 0.00 0.00 3.19 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 42 I 8.33 4.22 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 2.06 0.96 0.00 0.00 43 F 8.21 4.13 0.00 2.89 2.81 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 44 Y 8.32 4.45 0.00 3.31 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.83 4.42 0.00 2.81 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 46 A 8.37 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 C 8.09 3.68 0.00 2.93 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 48 K 8.22 3.86 0.00 2.13 1.89 0.00 1.82 0.00 0.00 1.67 0.00 0.00 3.12 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.69 7.81 49 I 7.80 3.70 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.35 0.94 0.00 0.00 50 I 7.96 3.64 2.02 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 1.50 0.73 0.94 0.00 0.00 51 Q 8.53 4.49 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.74 0.00 0.00 0.00 0.00 0.00 2.66 2.41 0.00 52 E 8.91 4.12 0.00 2.20 1.71 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 2.33 2.50 0.00 53 K 5.66 4.18 0.00 1.99 1.88 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.60 7.81 54 T 8.35 4.47 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 1.24 0.00 0.00 55 G 7.89 4.34 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 0.00 56 Q 7.40 4.04 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.78 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 57 E 8.77 4.72 0.00 2.07 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 2.23 0.00 58 P 0.00 4.15 0.00 1.97 2.15 0.00 3.84 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 2.13 2.02 0.00 59 L 8.18 3.88 0.00 2.10 1.80 1.15 0.71 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 60 K 8.01 3.92 0.00 1.90 1.83 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.53 7.81 61 V 8.04 3.58 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 1.03 0.00 0.00 1.01 0.00 0.00 62 F 8.55 4.17 0.00 3.09 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 63 K 8.36 3.91 0.00 2.05 1.91 0.00 1.87 0.00 0.00 1.67 0.00 0.00 3.15 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.87 1.70 7.81 64 Q 8.43 3.91 0.00 2.31 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.61 0.00 65 A 8.27 4.01 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 66 V 7.82 3.37 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 1.04 0.00 0.00 0.71 0.00 0.00 67 E 8.29 3.89 0.00 1.96 2.14 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 2.33 2.42 0.00 68 N 8.17 4.50 0.00 2.80 2.81 0.00 0.00 7.05 8.39 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 69 V 7.84 3.63 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 0.89 0.00 0.00 0.90 0.00 0.00 70 K 7.72 4.24 0.00 1.82 1.81 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.69 7.81 71 P 0.00 4.96 0.00 2.20 2.02 0.00 3.96 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 1.99 1.83 0.00 72 R 8.45 4.50 0.00 1.89 2.03 0.00 3.01 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 73 M 7.84 5.48 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 74 E 9.15 4.73 0.00 1.94 1.67 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 0.00 2.11 2.31 0.00 75 V 7.96 4.48 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 0.60 0.00 0.00 0.82 0.00 0.00 76 R 7.52 4.82 0.00 2.08 2.16 0.00 3.05 0.00 0.00 4.01 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 77 S 8.90 5.47 0.00 3.98 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 R 9.26 4.59 0.00 1.55 1.83 0.00 2.78 0.00 0.00 2.58 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.32 0.00 79 R 8.24 5.11 0.00 1.62 1.78 0.00 3.47 0.00 0.00 3.82 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.34 0.00 80 V 8.44 4.29 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.62 0.00 0.00 81 G 8.37 3.87 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 0.00 0.00 0.00 82 G 9.19 3.56 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 0.00 0.00 0.00 83 A 6.71 4.57 1.48 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 0.00 0.00 0.00 84 N 8.89 6.26 0.00 2.83 2.84 0.00 0.00 6.17 7.55 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 85 Y 8.41 4.37 0.00 2.56 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 86 Q 8.01 4.63 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 87 V 8.16 4.50 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 1.43 0.00 0.00 1.42 0.00 0.00 88 P 0.00 4.95 0.00 2.02 1.94 0.00 3.95 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.90 0.00 89 M 8.94 4.35 0.00 2.07 2.28 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.66 0.00 90 E 8.86 3.23 0.00 2.12 1.83 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 2.42 2.43 0.00 91 V 9.20 3.49 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 0.70 0.00 0.00 0.97 0.00 0.00 92 S 7.24 3.86 0.00 4.13 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 93 P 0.00 3.72 0.00 2.29 2.18 0.00 3.72 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 2.08 0.00 94 R 7.63 3.36 0.00 1.98 1.97 0.00 3.24 0.00 0.00 3.27 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 95 R 8.09 3.82 0.00 1.89 2.04 0.00 3.22 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 96 Q 8.41 3.74 0.00 2.50 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 97 Q 9.12 4.15 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.27 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 98 S 7.82 3.98 0.00 3.89 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.16 3.94 0.00 1.45 1.17 0.62 0.64 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 0.00 100 A 8.00 4.53 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.40 3.84 0.00 1.72 1.92 1.07 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.86 3.92 0.00 1.94 2.07 0.00 3.17 0.00 0.00 3.11 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 103 W 8.85 4.47 0.00 3.73 3.04 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 0.00 104 L 9.18 3.74 0.00 1.84 1.52 0.76 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.39 3.64 2.41 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 1.28 0.00 0.00 1.36 0.00 0.00 106 Q 8.97 4.01 0.00 2.57 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.38 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 107 A 8.39 3.90 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 0.00 108 A 8.65 4.17 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 0.00 109 N 8.80 4.06 0.00 2.83 2.94 0.00 0.00 7.22 7.25 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 0.00 110 Q 8.40 4.13 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 111 R 7.42 3.81 0.00 1.95 1.86 0.00 3.31 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 112 P 0.00 4.84 0.00 2.20 1.15 0.00 3.94 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 113 E 8.89 3.43 0.00 2.18 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 2.25 2.45 0.00 114 R 8.36 4.55 0.00 1.77 1.96 0.00 3.17 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 115 R 7.72 4.60 0.00 1.81 1.81 0.00 3.17 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 116 A 8.77 3.94 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 0.00 117 A 8.09 3.94 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 0.00 118 V 7.80 3.45 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 1.02 0.00 0.00 0.94 0.00 0.00 119 R 7.78 4.49 0.00 1.90 2.01 0.00 3.17 0.00 0.00 3.47 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 120 I 8.04 3.74 2.04 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 1.68 0.84 1.08 0.00 0.00 121 A 9.05 4.11 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 0.00 122 H 7.30 3.91 0.00 3.31 3.29 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.87 3.92 0.00 2.09 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 2.24 2.29 0.00 124 L 8.53 3.76 0.00 1.93 1.65 1.03 1.35 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 0.00 125 M 8.67 4.17 0.00 2.07 1.99 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 2.86 2.59 0.00 126 D 8.94 5.17 0.00 2.73 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.08 3.92 1.21 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 0.00 0.00 128 A 8.15 4.20 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.98 3.95 0.00 1.97 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 2.28 2.45 0.00 130 G 7.88 4.73 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 0.00 131 K 7.16 4.59 0.00 1.88 1.79 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.63 1.14 7.81 132 G 8.18 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.28 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 0.00 134 A 8.44 3.87 1.04 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 0.00 0.00 135 V 8.85 3.14 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 0.87 0.00 0.00 0.88 0.00 0.00 136 K 7.30 4.48 0.00 2.16 1.55 0.00 1.93 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.45 7.81 137 K 8.41 3.82 0.00 1.13 1.86 0.00 1.55 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.48 7.81 138 K 6.64 3.34 0.00 0.79 1.62 0.00 1.72 0.00 0.00 1.62 0.00 0.00 3.38 0.00 0.00 3.51 0.00 0.00 0.00 0.00 1.65 1.88 7.81 139 E 7.67 4.76 0.00 2.07 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 2.23 0.00 140 D 8.33 4.32 0.00 3.06 2.67 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 0.00 0.00 0.00 0.00 141 V 8.68 3.69 2.32 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 1.12 0.00 0.00 1.45 0.00 0.00 142 E 8.90 3.81 0.00 2.30 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 2.41 2.61 0.00 143 R 7.14 4.69 0.00 1.95 2.10 0.00 3.43 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 144 M 8.18 3.96 0.00 2.01 2.39 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.82 0.00 145 A 7.82 4.03 1.21 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 0.00 0.00 146 E 8.89 4.28 0.00 2.12 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 2.21 2.21 0.00 147 A 7.40 3.96 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 0.00 148 N 7.86 4.84 0.00 2.83 3.33 0.00 0.00 6.83 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 R 8.96 3.95 0.00 1.99 1.55 0.00 3.42 0.00 0.00 3.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 150 A 8.29 3.41 1.10 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 0.00 0.00 151 Y 7.83 4.21 0.00 3.38 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 A 10.00 4.00 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 0.00 153 H 7.49 4.27 0.00 3.25 3.41 0.00 5.57 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 0.00 154 Y 8.16 4.69 0.00 3.28 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 0.00 155 R 8.67 4.10 0.00 2.05 2.09 0.00 3.52 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 156 W 8.49 4.48 0.00 3.38 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