NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.5090 8.4293 116.2081 55.0972 30.3759 173.3222 2 C 4.0550 7.6595 114.0892 56.9152 30.1868 172.0440 3 D 4.5750 8.2967 118.7057 55.2018 40.0128 175.6549 4 L 4.0684 8.0934 120.7739 56.8225 42.2839 175.6504 5 P 4.5830 0.0000 0.0000 62.2292 32.3901 175.2226 6 C 4.3879 8.4504 112.7888 57.5444 30.8730 175.0807 7 G 3.9412 8.2963 107.5349 45.4639 0.0000 172.9058 8 V 4.3044 7.2872 119.1747 61.1063 32.6681 174.3338 9 Y 4.6695 7.9986 123.4156 56.7727 42.2863 174.1788 10 D 3.5549 7.8259 116.4014 51.7051 44.0258 174.8765 11 P 4.1713 0.0000 0.0000 64.2486 31.2139 178.1106 12 A 3.9596 8.4775 121.0361 55.0250 17.8961 179.6198 13 Q 3.7846 7.8407 116.1884 59.0624 28.6971 178.9848 14 A 4.0531 7.7647 121.1581 55.0732 18.4654 179.3721 15 R 3.8257 8.1896 117.4852 59.7646 30.1724 178.7627 16 I 3.7188 8.1502 119.9067 64.4635 37.0950 178.3418 17 E 3.9745 8.0107 118.9314 59.3811 29.3019 179.2713 18 A 4.0669 8.3114 120.9550 55.1115 18.2862 179.5753 19 E 3.9530 8.5225 117.7179 59.6331 29.4734 179.6913 20 S 4.1164 8.0084 115.2704 61.4215 62.8976 176.7157 21 V 3.5657 7.8519 120.9462 66.0380 31.2420 178.0699 22 K 4.1365 8.0943 118.9697 59.5029 32.0967 178.5747 23 A 4.0315 8.3572 121.4230 55.2524 18.1492 179.7523 24 I 3.7368 8.2596 118.7818 64.6108 37.3173 178.5726 25 Q 4.0169 8.1006 118.9224 59.1283 28.3031 178.8775 26 E 4.0469 8.1909 118.6515 59.3571 29.8861 179.2752 27 K 4.2225 8.1208 118.5949 59.6706 31.5953 179.3437 28 M 4.3983 8.5436 119.2762 58.3899 31.6347 178.6223 29 A 4.1069 7.9964 119.5539 54.2082 18.6307 178.4619 30 A 4.6835 7.5457 116.5429 51.4252 19.5351 176.8146 31 N 4.5470 7.7350 116.1150 52.7261 40.4937 173.0520 32 D 4.8335 8.5945 124.8917 53.1440 40.1095 176.6124 33 D 4.4212 8.3918 120.3574 54.5518 42.4941 176.2333 34 L 3.9421 8.7035 128.5525 59.0101 42.1302 178.9621 35 H 4.1166 8.3251 115.3135 58.8383 28.6598 177.4817 36 F 4.1964 8.5808 122.3950 61.3675 39.2666 177.2616 37 Q 3.9391 8.3816 117.7844 58.7869 28.3575 178.9433 38 I 3.6304 7.8679 120.8540 64.4598 37.1535 178.6107 39 R 3.8134 7.9649 118.5931 59.2589 29.8301 179.0006 40 A 3.7404 7.9146 120.7870 55.2776 18.2244 179.8871 41 T 3.7288 7.7906 114.1789 66.6542 68.4172 177.0470 42 V 3.5321 7.8968 120.3555 66.2236 31.5528 178.2143 43 I 3.9902 7.9790 121.1916 63.6149 36.8575 178.3172 44 K 3.9137 8.3858 121.0225 59.3090 31.9757 178.4066 45 E 3.8921 8.1452 119.6795 59.4091 29.6516 178.9297 46 Q 3.9669 7.7991 118.1055 59.1224 28.7674 179.0165 47 R 4.0476 8.1980 118.9181 59.0534 30.0403 178.9460 48 A 3.9877 8.2638 120.8960 55.0549 18.2804 179.2683 49 E 3.8613 8.1631 117.8149 59.4769 29.6580 179.0943 50 L 3.9206 8.0158 118.8321 57.6241 41.6285 179.3250 51 A 4.0550 8.1572 120.8581 55.1417 18.2531 179.8649 52 K 3.9203 8.2729 117.1055 59.7345 32.1133 178.9937 53 H 4.1324 8.4571 118.7198 59.7549 29.9128 177.0239 54 H 4.2408 8.3226 118.0201 58.8469 28.4164 177.8872 55 L 4.0924 8.0522 120.8702 57.8482 41.4344 179.0805 56 D 4.5242 8.5076 119.3072 57.5796 40.6986 179.1678 57 V 3.7590 8.0379 118.6122 65.9303 31.4392 178.1068 58 L 3.9367 8.0167 118.4724 57.4624 41.2736 179.2264 59 W 4.6482 8.5283 127.4479 60.7940 30.8262 177.7566 60 S 4.0067 8.7662 113.0289 60.4213 62.8721 175.1447 61 D 4.7090 8.2843 121.0064 55.8993 41.7660 177.3867 62 Y 3.4417 7.4847 118.2887 59.9840 39.0421 175.5572 63 F 4.0267 7.9104 118.1560 57.3006 39.5060 175.1691 64 K 4.5941 8.2412 123.8205 53.5900 35.2161 175.1891 65 P 4.4532 0.0000 0.0000 65.9773 31.0889 177.1768 66 P 4.2842 0.0000 0.0000 65.6652 31.1315 178.4710 67 H 4.3189 8.0364 115.2781 58.9600 28.4107 177.8935 68 F 4.2314 7.6782 117.6843 60.2666 38.7956 177.0712 69 E 4.2187 7.8973 117.6416 59.3007 29.4319 178.9734 70 S 4.3346 8.1290 114.3298 59.7893 64.0416 173.9621 71 Y 4.5883 8.0234 119.3646 54.8989 38.0688 174.1232 72 P 4.5709 0.0000 0.0000 64.3120 31.9662 177.1707 73 E 4.4472 8.0958 115.1462 56.5052 30.7871 177.6504 74 L 3.9098 8.1540 122.4881 58.7465 41.9636 178.1923 75 H 4.4174 8.4353 115.4428 59.5683 28.6351 177.6199 76 T 3.8106 7.9867 116.6776 66.4323 68.3225 176.1912 77 L 3.8598 8.2515 122.5255 58.2808 42.1531 179.2849 78 V 3.5592 8.0803 118.4429 65.9517 31.4520 177.4403 79 N 4.0428 8.1946 116.9698 56.6604 38.6665 176.7618 80 E 3.7214 8.2811 120.1218 58.8376 29.5015 179.1630 81 A 3.8088 7.5241 120.8753 55.3066 18.5170 180.2029 82 V 3.5884 7.7641 110.9450 64.3839 31.5692 179.0506 83 K 3.9660 8.0244 118.2036 59.2466 31.8035 179.2687 84 A 4.0986 8.1248 121.3356 54.9684 18.2799 179.7117 85 L 3.9941 7.8005 117.5452 57.9783 41.5460 179.7786 86 S 4.1315 8.1097 115.0618 61.4974 62.5037 176.6082 87 A 3.9922 7.8911 122.5001 55.0121 18.5019 179.2691 88 A 4.1735 8.0755 120.7890 54.5680 18.1723 179.9477 89 K 3.9474 7.9195 116.2801 59.1713 32.1129 178.2395 90 A 4.5779 7.2817 118.8853 51.0510 19.3666 176.5898 91 S 4.6185 7.3342 113.1317 58.3630 65.6199 174.0111 92 T 4.3317 8.3280 113.4428 61.3276 69.6767 173.8878 93 D 4.5314 8.3129 124.3083 53.1472 41.1542 174.9181 94 P 5.0503 0.0000 0.0000 64.7327 31.2392 178.2293 95 A 4.0128 8.8039 120.2680 54.8321 17.7813 179.6232 96 T 4.0674 8.4026 109.4876 64.6366 69.0602 177.3829 97 G 3.6021 8.0305 108.1386 47.6843 0.0000 175.3015 98 Q 4.0043 8.3836 122.4871 58.6691 29.0589 178.2453 99 K 3.8124 8.1609 120.6064 59.3159 32.1671 178.6631 100 A 4.1765 7.9913 120.7140 55.2812 18.3369 179.6078 101 L 3.9762 7.9939 117.4777 57.9831 41.4976 179.5479 102 D 4.3224 8.2654 119.1527 57.5692 40.7232 178.4527 103 Y 4.3819 7.8357 117.1596 61.2106 37.7895 178.5200 104 I 3.8042 8.2264 120.7092 64.3514 37.1858 178.3659 105 A 4.0538 8.2749 121.7165 55.2054 18.2935 179.7507 106 Q 4.0521 7.9518 116.6934 59.1094 28.7771 178.9503 107 I 3.8038 7.9493 121.0654 64.2584 37.1246 177.8712 108 D 4.3704 8.5134 119.3168 57.2255 41.0655 178.2597 109 K 4.1239 8.2708 120.0474 59.7769 32.2463 178.8805 110 I 3.5413 7.7190 119.7569 64.0761 36.6802 178.1006 111 F 3.9897 8.5314 121.0660 61.2767 39.4883 177.0604 112 W 4.2696 8.4720 118.3730 59.5318 28.6572 178.4456 113 E 4.1428 8.4341 119.1939 59.5402 28.6947 179.1848 114 T 4.0707 7.7225 108.4029 63.8213 69.0453 176.2241 115 K 4.1666 7.6128 120.3497 58.1825 32.3462 178.7591 116 K 4.1643 7.9541 118.2200 58.9621 32.3891 176.5801 117 A 4.1957 7.7331 125.8242 52.7417 18.3041 177.1517 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 H 8.43 4.51 0.00 3.24 3.20 0.00 5.48 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 7.66 4.05 0.00 3.09 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 3 D 8.30 4.57 0.00 2.87 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 4 L 8.09 4.07 0.00 1.60 1.74 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.58 0.00 2.28 2.09 0.00 3.80 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 1.99 1.98 0.00 6 C 8.45 4.39 0.00 3.02 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 7 G 8.30 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.29 4.30 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 0.84 0.00 0.00 0.93 0.00 0.00 9 Y 8.00 4.67 0.00 2.76 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 0.00 0.00 0.00 0.00 10 D 7.83 3.55 0.00 2.54 2.33 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 11 P 0.00 4.17 0.00 2.21 1.87 0.00 2.82 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.16 0.00 12 A 8.48 3.96 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 13 Q 7.84 3.78 0.00 1.84 1.59 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 2.22 2.33 0.00 14 A 7.76 4.05 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 15 R 8.19 3.83 0.00 1.88 2.07 0.00 3.24 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 16 I 8.15 3.72 1.86 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 1.52 0.67 0.91 0.00 0.00 17 E 8.01 3.97 0.00 2.16 2.21 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 2.58 2.56 0.00 18 A 8.31 4.07 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 19 E 8.52 3.95 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 20 S 8.01 4.12 0.00 4.08 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.85 3.57 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 1.00 0.00 0.00 0.94 0.00 0.00 22 K 8.09 4.14 0.00 1.90 1.80 0.00 1.78 0.00 0.00 1.66 0.00 0.00 3.14 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.64 7.81 23 A 8.36 4.03 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 24 I 8.26 3.74 2.02 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 1.53 0.87 0.90 0.00 0.00 25 Q 8.10 4.02 0.00 2.29 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 26 E 8.19 4.05 0.00 2.12 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 2.36 2.57 0.00 27 K 8.12 4.22 0.00 2.20 2.21 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.67 7.81 28 M 8.54 4.40 0.00 2.09 2.33 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.48 0.00 29 A 8.00 4.11 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 30 A 7.55 4.68 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 31 N 7.74 4.55 0.00 2.38 2.33 0.00 0.00 7.09 8.35 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 32 D 8.59 4.83 0.00 2.83 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 33 D 8.39 4.42 0.00 2.86 2.79 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 34 L 8.70 3.94 0.00 1.79 1.66 0.89 1.02 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 35 H 8.33 4.12 0.00 3.47 3.40 0.00 5.87 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 36 F 8.58 4.20 0.00 3.20 3.26 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 37 Q 8.38 3.94 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 38 I 7.87 3.63 1.97 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 1.47 0.80 0.88 0.00 0.00 39 R 7.96 3.81 0.00 1.70 1.90 0.00 3.16 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 40 A 7.91 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.79 3.73 4.32 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 1.17 0.00 0.00 42 V 7.90 3.53 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 1.00 0.00 0.00 0.93 0.00 0.00 43 I 7.98 3.99 1.88 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 1.36 0.99 0.89 0.00 0.00 44 K 8.39 3.91 0.00 1.81 1.96 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.44 7.81 45 E 8.15 3.89 0.00 2.29 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 0.00 2.29 2.38 0.00 46 Q 7.80 3.97 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 47 R 8.20 4.05 0.00 1.83 2.11 0.00 3.29 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 48 A 8.26 3.99 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 49 E 8.16 3.86 0.00 2.19 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 2.29 2.38 0.00 50 L 8.02 3.92 0.00 1.93 1.69 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.16 4.06 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 52 K 8.27 3.92 0.00 1.99 1.86 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.62 7.81 53 H 8.46 4.13 0.00 3.21 3.43 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.32 4.24 0.00 3.36 3.29 0.00 5.67 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 55 L 8.05 4.09 0.00 1.88 1.76 0.94 1.16 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 56 D 8.51 4.52 0.00 2.92 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 57 V 8.04 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 1.38 0.00 0.00 0.89 0.00 0.00 58 L 8.02 3.94 0.00 2.11 1.73 0.80 0.24 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 59 W 8.53 4.65 0.00 3.48 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 60 S 8.77 4.01 0.00 4.05 4.21 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 61 D 8.28 4.71 0.00 3.09 3.03 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 62 Y 7.48 3.44 0.00 1.43 2.39 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 63 F 7.91 4.03 0.00 2.96 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 0.00 0.00 0.00 64 K 8.24 4.59 0.00 1.50 1.58 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.15 7.81 65 P 0.00 4.45 0.00 2.15 2.18 0.00 3.57 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 2.12 2.25 0.00 66 P 0.00 4.28 0.00 1.98 2.03 0.00 3.44 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 67 H 8.04 4.32 0.00 2.96 3.11 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 7.68 4.23 0.00 3.18 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.90 4.22 0.00 2.15 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 2.61 2.51 0.00 70 S 8.13 4.33 0.00 3.74 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.02 4.59 0.00 2.90 2.79 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 72 P 0.00 4.57 0.00 2.08 2.15 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.24 0.00 73 E 8.10 4.45 0.00 2.20 2.26 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 2.37 2.35 0.00 74 L 8.15 3.91 0.00 1.80 1.87 0.56 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.44 4.42 0.00 3.28 3.38 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.99 3.81 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 1.20 0.00 0.00 77 L 8.25 3.86 0.00 1.84 1.86 1.11 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.08 3.56 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 1.18 0.00 0.00 79 N 8.19 4.04 0.00 2.71 2.76 0.00 0.00 7.24 7.68 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 80 E 8.28 3.72 0.00 1.44 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 2.16 2.31 0.00 81 A 7.52 3.81 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 82 V 7.76 3.59 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 0.83 0.00 0.00 0.82 0.00 0.00 83 K 8.02 3.97 0.00 1.91 1.79 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.43 7.81 84 A 8.12 4.10 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.80 3.99 0.00 1.91 1.73 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.11 4.13 0.00 4.04 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 87 A 7.89 3.99 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 88 A 8.08 4.17 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 89 K 7.92 3.95 0.00 1.95 2.04 0.00 1.68 0.00 0.00 1.93 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.64 7.81 90 A 7.28 4.58 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 91 S 7.33 4.62 0.00 3.82 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 92 T 8.33 4.33 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 93 D 8.31 4.53 0.00 2.69 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 5.05 0.00 2.20 2.12 0.00 3.94 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 95 A 8.80 4.01 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 96 T 8.40 4.07 4.26 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 1.22 0.00 0.00 97 G 8.03 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 98 Q 8.38 4.00 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 99 K 8.16 3.81 0.00 2.00 1.97 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.21 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.34 7.81 100 A 7.99 4.18 1.45 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 0.00 101 L 7.99 3.98 0.00 1.92 1.74 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.27 4.32 0.00 2.59 2.53 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 0.00 103 Y 7.84 4.38 0.00 3.22 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 0.00 104 I 8.23 3.80 2.06 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 1.51 0.92 0.94 0.00 0.00 105 A 8.27 4.05 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 0.00 106 Q 7.95 4.05 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 107 I 7.95 3.80 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.71 1.08 0.00 0.00 108 D 8.51 4.37 0.00 2.94 2.98 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 0.00 109 K 8.27 4.12 0.00 1.98 2.04 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.58 7.81 110 I 7.72 3.54 1.84 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.40 -0.12 0.00 0.00 111 F 8.53 3.99 0.00 2.88 2.98 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 0.00 112 W 8.47 4.27 0.00 3.54 3.26 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 0.00 113 E 8.43 4.14 0.00 2.28 2.19 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 2.46 2.54 0.00 114 T 7.72 4.07 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 115 K 7.61 4.17 0.00 2.05 1.98 0.00 1.54 0.00 0.00 1.08 0.00 0.00 2.80 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.72 0.87 7.81 116 K 7.95 4.16 0.00 1.89 1.89 0.00 1.85 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.88 7.81 117 A 7.73 4.20 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