NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4115 8.2893 120.3486 55.3675 33.0602 174.7194 2 N 4.6646 8.5796 124.0616 51.4595 38.9328 173.0149 3 I 4.6065 8.7840 121.0641 59.6062 41.9875 176.2122 4 I 4.3763 8.3410 123.9803 59.5875 38.5570 175.1765 5 K 4.4447 8.6240 124.8153 54.4062 34.1309 176.1569 6 A 4.5722 8.4013 126.4405 50.7646 20.7038 174.9507 7 N 5.0608 8.1897 116.7312 51.9621 41.8654 175.5174 8 V 3.9158 8.0998 113.8205 62.4381 32.3816 176.3631 9 A 4.2524 8.1288 123.6044 52.1118 18.7465 177.8942 10 A 4.6079 8.1931 121.2772 51.2917 21.7264 174.1552 11 P 4.7879 0.0000 0.0000 64.8350 32.1859 178.8598 12 D 4.6465 8.0721 115.6057 54.2980 40.5507 175.7647 13 A 4.6148 7.6670 124.5464 51.8552 20.1746 178.2261 14 R 4.8472 9.5024 120.9870 55.1020 32.5573 175.8170 15 V 4.9608 8.9453 124.3953 60.0021 34.8967 173.9272 16 A 4.9181 8.4733 128.5085 50.1053 21.5593 175.2428 17 I 4.8026 8.7001 123.7038 59.5990 39.5288 174.6977 18 T 4.7630 8.6775 117.9032 59.9675 70.7888 173.4099 19 I 5.2021 8.2164 126.4551 58.2119 40.6812 174.4459 20 A 5.0401 8.4211 127.6892 51.2069 19.1889 177.9805 21 R 4.4415 9.3432 119.7608 58.5787 30.2077 177.0418 22 F 4.6039 8.1973 121.2675 59.9056 39.6772 174.3305 23 N 4.6649 9.8780 123.8776 54.5301 35.5642 176.1197 24 Q 4.1588 8.3444 120.4402 59.4375 28.0656 177.9165 25 F 3.7481 8.5041 121.5256 61.1654 39.4118 176.4660 26 I 4.1995 8.3059 118.7963 63.8180 37.2392 177.7996 27 N 4.3759 8.2870 116.6097 56.2624 38.2661 176.9256 28 D 4.5151 8.8594 121.2036 57.6650 41.0259 178.8309 29 S 4.0677 7.9628 112.9325 61.0461 62.4126 175.4461 30 L 4.0674 7.8113 123.2667 58.6288 41.6535 178.3411 31 L 3.8640 8.4250 120.4781 57.6903 41.9768 178.5909 32 D 4.5010 8.5087 118.5915 57.3518 40.9004 179.7715 33 G 3.5877 8.1711 105.7404 47.7684 0.0000 175.4493 34 A 3.9269 7.7715 123.2978 54.7131 18.5375 179.2420 35 V 3.4554 7.8696 116.8479 66.3929 31.5211 177.2585 36 D 4.3147 8.1211 117.0450 57.6080 40.9906 177.9697 37 A 3.9462 8.2070 121.1165 55.7069 18.3940 179.0753 38 L 3.9063 8.3154 117.1925 59.1524 41.7836 179.7222 39 T 4.2169 8.2014 111.0654 63.9641 68.5939 176.2500 40 R 3.8563 8.1781 123.8974 58.2843 30.6584 178.0368 41 I 4.0696 7.9758 117.1561 63.5447 37.8233 177.0629 42 G 3.8219 7.9602 106.5878 45.0607 0.0000 174.0853 43 Q 3.8380 8.2490 117.5907 56.4031 26.8199 173.3113 44 V 3.9257 7.5076 118.8099 62.3728 32.2510 175.2489 45 K 4.2623 8.5649 128.8022 56.2242 32.5684 176.6259 46 D 4.7254 8.8081 124.3766 53.9760 39.0818 176.2099 47 D 4.8086 7.9909 117.0859 53.7676 40.1820 176.2710 48 N 4.7215 8.5685 117.7222 53.6383 39.3794 174.1044 49 I 4.8661 7.5917 120.2495 60.3165 38.4241 175.2025 50 T 4.7085 8.8230 117.2830 59.7040 71.8976 173.0067 51 V 4.5979 8.4103 123.7207 61.0823 34.0664 174.5895 52 V 4.2795 8.8138 128.6351 60.7629 33.5154 174.5916 53 W 4.6791 8.9459 129.1518 56.6856 29.4771 176.5012 54 V 4.4021 8.7064 119.2175 59.0783 33.7137 174.9123 55 P 4.3172 0.0000 0.0000 65.2013 31.4310 177.1311 56 G 4.4524 7.9799 108.3456 42.7637 0.0000 173.9832 57 A 4.0565 8.4676 120.2687 54.7893 18.0862 179.1889 58 Y 4.1984 8.1543 117.1248 60.6986 39.2428 177.4331 59 E 4.1051 8.1994 119.1930 58.0904 29.5906 178.6194 60 L 3.8891 7.5101 119.3708 58.0985 41.6091 177.1223 61 P 4.1785 0.0000 0.0000 64.8524 31.1654 177.9879 62 L 3.8638 7.7067 117.9555 58.4501 42.2007 179.2632 63 A 3.9824 7.7897 120.0038 55.6077 18.3022 179.8306 64 T 3.8364 8.1652 108.4208 64.4951 68.7271 176.2518 65 E 3.8435 8.9480 122.7445 59.1665 29.5995 178.2796 66 A 4.0115 8.0067 120.6333 55.6058 18.1815 179.6129 67 L 4.0594 7.5469 114.8571 57.9073 41.9644 179.4744 68 A 4.2206 8.3793 120.9657 55.1502 18.1898 179.8267 69 K 3.9364 8.2166 116.2776 59.6171 32.1510 178.9450 70 S 4.1980 8.1723 113.0334 59.5234 62.2263 175.9763 71 G 3.9610 8.5444 110.3821 46.3167 0.0000 176.1565 72 K 3.8395 7.6206 120.1130 56.4224 31.8233 182.2080 73 Y 5.0918 6.9802 113.8084 56.7376 40.6020 175.4691 74 D 4.7285 9.0572 122.0044 55.7822 41.8080 176.4057 75 A 4.5228 7.3067 117.7673 51.2931 22.4815 175.0736 76 V 4.7426 8.2914 119.9937 61.0338 34.6459 174.4857 77 V 4.3781 8.7961 128.2262 61.4708 33.3724 174.1093 78 A 4.9875 8.5345 130.0896 49.6033 20.9932 175.1801 79 L 5.2877 8.0582 123.2684 52.5001 44.5458 176.3063 80 G 4.1958 7.7481 108.4057 45.9346 0.0000 171.8629 81 T 5.0734 8.5317 116.0406 61.5301 72.0095 174.4296 82 V 4.2196 9.0696 125.0206 61.3440 34.0733 173.8697 83 I 4.6694 8.1809 128.5802 59.6823 38.6075 175.9839 84 R 3.6772 8.3889 127.6743 56.5303 30.3362 176.3307 85 G 4.4369 8.3275 115.8915 44.2361 0.0000 172.8802 86 G 3.6450 8.7807 107.5951 47.4615 0.0000 173.4070 87 T 4.5283 7.5809 108.3681 59.6664 71.4629 173.5567 88 A 4.4439 8.3738 121.3530 52.8073 18.7226 178.7337 89 H 4.2729 8.3577 120.1555 60.3100 29.7148 176.8943 90 F 4.0378 8.4772 121.9779 61.5354 39.0151 176.5989 91 E 3.5717 7.9893 118.4388 59.5690 29.3736 178.4008 92 Y 4.3414 7.4075 115.8082 60.7246 38.2440 177.5161 93 V 3.6883 7.6746 119.2845 65.8248 31.5746 177.7375 94 A 4.0747 7.8076 120.1775 55.2078 18.0760 179.7592 95 G 3.6033 8.1765 104.4706 47.8423 0.0000 176.0708 96 G 3.8588 8.5988 108.1544 45.7574 0.0000 174.7602 97 A 4.2955 7.7424 122.6876 54.2911 19.7395 179.1207 98 S 4.1519 8.2990 111.9284 61.8630 62.3732 176.2526 99 N 4.4431 8.5377 119.4371 55.9996 38.3327 177.2976 100 G 3.7512 7.6966 105.9579 48.1250 0.0000 175.3638 101 L 3.9911 8.0721 121.4705 57.2272 41.5635 179.6160 102 A 3.9727 7.7351 119.0916 55.1827 18.5889 179.2889 103 S 4.1117 8.3137 111.6873 61.4973 62.4297 176.1666 104 V 3.5416 7.8295 120.6589 66.2839 31.1287 177.7699 105 A 4.3315 7.8566 121.2688 54.8041 18.0025 179.4236 106 Q 3.8874 7.8774 116.7591 59.1597 29.1410 177.8160 107 D 4.5312 7.8995 118.9218 56.9946 41.3997 178.2974 108 S 4.3533 8.3547 112.8057 58.6243 63.4722 175.5373 109 G 3.8863 8.1211 109.5068 45.8368 0.0000 173.7635 110 V 3.9656 7.4338 121.0173 61.5911 32.9570 173.6164 111 P 4.5001 0.0000 0.0000 62.7036 32.4951 175.1513 112 V 4.8121 8.3889 123.5878 61.0226 33.9790 174.2714 113 A 4.4165 8.8549 130.4235 51.0860 20.3252 176.2837 114 F 4.8425 9.0047 126.6125 56.1543 38.4690 175.9172 115 G 3.9834 8.0993 118.3035 45.0212 0.0000 170.9175 116 V 4.6167 6.1377 117.6572 60.5690 33.9041 175.9817 117 L 4.2898 8.7335 129.3161 55.0615 42.8076 176.5962 118 T 5.4238 8.7199 112.6125 58.8123 68.8476 172.6114 119 T 4.5762 8.1402 121.0072 61.0815 72.0458 175.1124 120 E 4.1286 9.8188 120.7216 57.2666 30.5068 177.2550 121 S 4.7237 7.5938 111.9379 55.5443 67.6657 174.7998 122 I 3.6744 8.2230 123.1587 64.3140 36.6979 177.9173 123 E 3.9234 8.2744 119.8268 59.8534 29.0831 179.0636 124 Q 4.1685 7.8883 115.9344 58.7273 29.0152 178.2566 125 A 4.1619 7.8178 121.8151 55.4182 18.0562 179.6855 126 I 3.7477 7.8959 118.1877 64.7263 37.1158 178.5417 127 E 4.5687 8.0115 120.5608 58.0976 29.2310 178.4398 128 R 4.5401 7.9855 115.7691 55.6650 30.6151 176.6429 129 A 4.8281 7.2098 121.3530 52.6945 19.5218 177.1841 130 G 4.4573 8.1448 107.9118 48.1160 0.0000 175.4656 131 T 4.6330 7.5057 115.0784 60.1584 68.7573 175.7025 132 K 3.7854 9.2437 117.0852 59.3297 31.7470 177.7865 133 A 4.5727 7.7927 119.3510 52.0516 19.9909 178.9240 134 G 3.7336 8.1419 110.4412 47.3771 0.0000 173.9683 135 N 5.2374 8.2503 118.1227 50.9562 41.1070 175.5041 136 K 4.0115 8.9941 129.1850 59.2107 32.0513 179.0482 137 G 4.0800 8.2188 107.3391 47.4288 0.0000 175.6186 138 A 4.0500 7.8690 123.3332 54.2321 18.4572 179.2519 139 E 3.8535 8.3314 117.9900 59.3599 29.7796 178.8652 140 A 4.0570 8.6871 122.4026 54.3852 18.3945 179.3743 141 A 3.8938 8.2858 119.6731 55.3621 18.3893 179.9187 142 L 3.9277 8.0625 117.6816 58.1904 41.2293 179.9406 143 T 3.8557 8.1415 109.2769 64.3358 68.5168 176.4035 144 A 3.9642 7.8345 123.9982 55.0804 18.4571 179.1868 145 L 3.8729 7.8091 117.1761 58.1424 41.8124 179.2664 146 E 4.1851 8.3214 120.4481 59.0294 29.4120 178.8322 147 M 4.0411 7.9132 117.8528 58.4389 31.9492 178.4413 148 I 3.6955 7.7129 119.8935 64.8169 37.2702 178.1854 149 N 4.3181 7.9769 116.3996 56.2222 38.1731 177.4556 150 V 3.5827 7.9574 118.9326 66.2240 31.7821 177.8773 151 L 4.0776 8.3474 118.7359 57.7768 41.3737 179.1452 152 K 3.8437 8.1755 118.6450 59.5909 32.0359 177.1234 153 A 4.4635 8.0338 120.1350 51.7659 19.2610 177.2522 154 I 3.8800 7.7780 120.8167 63.2040 37.7417 173.9635 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 8.29 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.58 4.66 0.00 2.95 2.79 0.00 0.00 6.06 6.93 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 3 I 8.78 4.61 1.87 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 1.41 0.67 0.91 0.00 0.00 4 I 8.34 4.38 1.87 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 1.41 0.61 0.91 0.00 0.00 5 K 8.62 4.44 0.00 1.70 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.40 4.57 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 7 N 8.19 5.06 0.00 2.73 2.64 0.00 0.00 6.85 7.71 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 8 V 8.10 3.92 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 0.86 0.00 0.00 0.93 0.00 0.00 9 A 8.13 4.25 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 10 A 8.19 4.61 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 11 P 0.00 4.79 0.00 2.23 2.37 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 12 D 8.07 4.65 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.67 4.61 1.29 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 14 R 9.50 4.85 0.00 1.42 1.79 0.00 3.21 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.95 4.96 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 0.90 0.00 0.00 0.95 0.00 0.00 16 A 8.47 4.92 0.28 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 17 I 8.70 4.80 1.68 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.74 0.69 0.00 0.00 18 T 8.68 4.76 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 1.09 0.00 0.00 19 I 8.22 5.20 0.77 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 0.80 0.08 0.41 0.00 0.00 20 A 8.42 5.04 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 21 R 9.34 4.44 0.00 2.09 2.53 0.00 2.87 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.64 0.00 22 F 8.20 4.60 0.00 3.17 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 23 N 9.88 4.66 0.00 2.97 2.99 0.00 0.00 6.88 8.23 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 24 Q 8.34 4.16 0.00 2.52 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.50 3.75 0.00 3.14 3.20 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 0.00 26 I 8.31 4.20 2.13 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.77 0.95 0.00 0.00 27 N 8.29 4.38 0.00 2.87 2.92 0.00 0.00 7.07 8.08 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 28 D 8.86 4.52 0.00 2.66 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 29 S 7.96 4.07 0.00 3.81 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 30 L 7.81 4.07 0.00 1.92 1.63 0.97 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.42 3.86 0.00 1.79 1.77 0.77 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.51 4.50 0.00 2.86 2.71 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 33 G 8.17 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.77 3.93 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 35 V 7.87 3.46 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 0.98 0.00 0.00 0.95 0.00 0.00 36 D 8.12 4.31 0.00 2.83 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 37 A 8.21 3.95 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 38 L 8.32 3.91 0.00 1.87 1.73 0.89 0.53 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 39 T 8.20 4.22 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 40 R 8.18 3.86 0.00 1.81 2.24 0.00 3.24 0.00 0.00 3.60 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 41 I 7.98 4.07 2.09 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 1.23 0.97 0.91 0.00 0.00 42 G 7.96 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 43 Q 8.25 3.84 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 44 V 7.51 3.93 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 0.93 0.00 0.00 1.05 0.00 0.00 45 K 8.56 4.26 0.00 1.80 1.67 0.00 1.92 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.81 4.73 0.00 2.83 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 47 D 7.99 4.81 0.00 2.78 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 48 N 8.57 4.72 0.00 2.86 2.99 0.00 0.00 6.92 7.35 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 49 I 7.59 4.87 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 0.52 0.89 0.00 0.00 50 T 8.82 4.71 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 1.50 0.00 0.00 51 V 8.41 4.60 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 0.47 0.00 0.00 0.83 0.00 0.00 52 V 8.81 4.28 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 0.93 0.00 0.00 0.86 0.00 0.00 53 W 8.95 4.68 0.00 3.22 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 54 V 8.71 4.40 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 0.77 0.00 0.00 1.01 0.00 0.00 55 P 0.00 4.32 0.00 2.19 2.32 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.05 0.00 56 G 7.98 4.45 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 0.00 0.00 0.00 57 A 8.47 4.06 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 58 Y 8.15 4.20 0.00 2.93 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 59 E 8.20 4.11 0.00 2.02 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 2.63 2.58 0.00 60 L 7.51 3.89 0.00 1.78 1.70 0.86 0.77 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 61 P 0.00 4.18 0.00 2.03 1.86 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 62 L 7.71 3.86 0.00 1.63 1.67 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.79 3.98 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 64 T 8.17 3.84 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 1.21 0.00 0.00 65 E 8.95 3.84 0.00 2.00 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 0.00 2.31 2.33 0.00 66 A 8.01 4.01 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 67 L 7.55 4.06 0.00 1.74 1.65 0.62 1.09 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 68 A 8.38 4.22 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 69 K 8.22 3.94 0.00 1.87 1.90 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.65 1.60 7.81 70 S 8.17 4.20 0.00 3.91 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.54 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 0.00 0.00 0.00 72 K 7.62 3.84 0.00 1.80 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.29 7.81 73 Y 6.98 5.09 0.00 2.96 2.95 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 74 D 9.06 4.73 0.00 2.56 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 75 A 7.31 4.52 1.20 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 0.00 0.00 0.00 76 V 8.29 4.74 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 0.94 0.00 0.00 0.85 0.00 0.00 77 V 8.80 4.38 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 0.89 0.00 0.00 0.88 0.00 0.00 78 A 8.53 4.99 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 79 L 8.06 5.29 0.00 1.51 1.40 0.80 0.85 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 80 G 7.75 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 0.00 0.00 0.00 0.00 81 T 8.53 5.07 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 1.19 0.00 0.00 82 V 9.07 4.22 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 0.89 0.00 0.00 0.87 0.00 0.00 83 I 8.18 4.67 1.85 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 1.24 0.69 0.87 0.00 0.00 84 R 8.39 3.68 0.00 0.67 1.39 0.00 3.06 0.00 0.00 2.98 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.18 0.00 85 G 8.33 4.44 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 0.00 86 G 8.78 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 87 T 7.58 4.53 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 88 A 8.37 4.44 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 89 H 8.36 4.27 0.00 3.30 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.48 4.04 0.00 3.10 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 91 E 7.99 3.57 0.00 1.93 1.12 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 2.01 2.18 0.00 92 Y 7.41 4.34 0.00 2.98 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 93 V 7.67 3.69 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.76 0.00 0.00 94 A 7.81 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.18 3.60 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 0.00 0.00 0.00 96 G 8.60 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 0.00 0.00 0.00 97 A 7.74 4.30 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.30 4.15 0.00 3.72 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 99 N 8.54 4.44 0.00 2.79 2.83 0.00 0.00 6.95 8.42 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 0.00 100 G 7.70 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 0.00 0.00 0.00 101 L 8.07 3.99 0.00 1.89 1.82 1.02 0.92 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 0.00 102 A 7.74 3.97 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 0.00 103 S 8.31 4.11 0.00 3.97 4.03 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 0.00 0.00 0.00 104 V 7.83 3.54 2.23 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 1.04 0.00 0.00 0.94 0.00 0.00 105 A 7.86 4.33 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 0.00 106 Q 7.88 3.89 0.00 2.06 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 7.90 4.53 0.00 2.69 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 0.00 108 S 8.35 4.35 0.00 4.02 4.03 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 0.00 0.00 0.00 109 G 8.12 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 0.00 110 V 7.43 3.97 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 0.96 0.00 0.00 1.02 0.00 0.00 111 P 0.00 4.50 0.00 2.12 1.97 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 112 V 8.39 4.81 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 0.81 0.00 0.00 1.00 0.00 0.00 113 A 8.85 4.42 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 0.00 114 F 9.00 4.84 0.00 3.00 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 0.00 115 G 8.10 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 0.00 116 V 6.14 4.62 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 0.69 0.00 0.00 0.02 0.00 0.00 117 L 8.73 4.29 0.00 1.62 1.58 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.72 5.42 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 1.25 0.00 0.00 119 T 8.14 4.58 4.40 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 1.27 0.00 0.00 120 E 9.82 4.13 0.00 1.95 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 2.30 2.30 0.00 121 S 7.59 4.72 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 0.00 122 I 8.22 3.67 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.74 0.87 0.00 0.00 123 E 8.27 3.92 0.00 2.06 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 2.50 0.00 124 Q 7.89 4.17 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 125 A 7.82 4.16 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 0.00 126 I 7.90 3.75 2.01 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 1.89 1.18 0.99 0.00 0.00 127 E 8.01 4.57 0.00 2.19 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 2.34 2.40 0.00 128 R 7.99 4.54 0.00 1.87 1.94 0.00 3.12 0.00 0.00 3.19 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.21 4.83 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 0.00 130 G 8.14 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 0.00 0.00 0.00 0.00 131 T 7.51 4.63 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 1.27 0.00 0.00 132 K 9.24 3.79 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.49 7.81 133 A 7.79 4.57 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 0.00 134 G 8.14 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 0.00 135 N 8.25 5.24 0.00 2.70 2.65 0.00 0.00 6.93 6.87 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 0.00 136 K 8.99 4.01 0.00 1.81 1.82 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.47 7.81 137 G 8.22 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 0.00 0.00 0.00 138 A 7.87 4.05 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 0.00 139 E 8.33 3.85 0.00 2.05 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 2.31 2.33 0.00 140 A 8.69 4.06 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 0.00 141 A 8.29 3.89 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 0.00 142 L 8.06 3.93 0.00 1.99 1.72 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.14 3.86 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 1.29 0.00 0.00 144 A 7.83 3.96 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 0.00 145 L 7.81 3.87 0.00 1.86 1.88 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.32 4.19 0.00 2.01 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 2.32 2.23 0.00 147 M 7.91 4.04 0.00 2.10 2.37 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 2.63 2.89 0.00 148 I 7.71 3.70 2.05 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 1.69 0.92 0.92 0.00 0.00 149 N 7.98 4.32 0.00 2.94 2.86 0.00 0.00 6.72 8.72 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 0.00 150 V 7.96 3.58 2.23 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 0.83 0.00 0.00 0.94 0.00 0.00 151 L 8.35 4.08 0.00 1.94 1.69 0.93 0.67 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 0.00 152 K 8.18 3.84 0.00 1.83 2.08 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 A 8.03 4.46 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 0.00 154 I 7.78 3.88 1.87 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 1.16 0.73 0.91 0.00 0.00