NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3634 8.3049 118.1919 54.9720 32.5217 174.3057 2 K 4.3263 8.3658 119.0944 54.3103 33.4953 174.7462 3 R 4.7532 9.0618 123.6749 54.4028 34.2745 175.3415 4 L 4.3675 8.5266 120.6096 55.6135 42.2119 176.5754 5 E 4.7708 7.6704 118.3005 53.5928 32.8574 175.0659 6 T 4.4093 8.2706 116.1391 60.6717 71.1461 175.5118 7 L 3.2862 7.8966 123.8182 57.9515 42.0867 179.0723 8 E 3.8778 7.9174 117.2193 59.3536 29.5016 178.9829 9 S 4.0653 7.9924 113.9589 61.1949 62.4700 176.1011 10 I 3.8253 7.6979 122.4953 64.5874 36.8571 178.4738 11 L 3.8665 8.2188 120.0709 57.6606 41.3440 179.4655 12 E 3.9760 8.2761 118.6981 59.4814 29.3869 179.5957 13 R 4.0447 8.1521 118.1956 58.9605 30.0352 178.9097 14 L 3.8398 7.9549 120.3252 58.2395 42.0695 179.2443 15 R 3.9407 8.0837 118.0141 59.5836 29.9889 178.9114 16 M 4.1113 8.2851 118.5244 58.5376 31.8485 178.7666 17 S 4.3131 8.2431 113.2670 61.0260 62.5336 176.1007 18 I 3.7686 8.4199 125.6575 65.0372 36.8112 178.8749 19 K 3.9521 7.8841 123.8067 59.6560 31.3563 180.4028 20 K 4.0650 7.8940 120.0218 59.7431 32.2355 178.0734 21 N 4.6606 8.5246 113.5427 53.1425 38.7942 175.0317 22 G 3.8979 8.5850 109.3710 46.5890 0.0000 173.5218 23 L 4.4839 7.8595 120.4424 52.2336 44.0071 176.7549 24 K 4.0920 8.0969 118.2550 57.1159 33.1521 176.7085 25 N 4.5911 8.3619 117.8226 52.1772 37.9231 174.7638 26 S 4.7321 8.2216 120.1555 56.5065 65.0900 174.8804 27 K 3.9948 8.4885 133.9552 60.1340 31.7707 175.7642 28 Q 4.1977 8.1004 119.2726 58.8929 28.3533 179.1978 29 R 3.8811 8.0521 119.5893 59.4764 30.1687 178.4983 30 E 3.9263 7.9315 118.2021 59.1596 29.3055 179.1698 31 E 3.9597 8.4479 119.4386 59.2074 29.4705 179.4870 32 V 3.5243 7.9081 118.3460 65.9868 31.5751 178.1513 33 V 3.5979 7.4389 117.9238 66.0614 31.2808 177.9499 34 S 4.0516 8.1131 112.7494 61.3117 62.4028 176.0832 35 V 3.6145 7.9473 121.0706 66.2449 31.0183 178.0433 36 L 4.0505 7.7420 117.2043 57.7994 41.2644 178.4959 37 Y 4.0700 8.2941 119.6508 60.9325 38.5759 178.4671 38 R 4.1678 8.1538 117.3044 57.6754 30.6595 177.2530 39 S 4.2715 7.5043 113.1692 58.1592 62.9012 173.6258 40 G 4.0025 8.5949 115.2098 45.3767 0.0000 172.6168 41 T 4.6830 7.6385 109.7334 59.8890 71.7973 172.0472 42 H 4.9531 8.7659 118.1389 54.6407 29.8896 174.9224 43 L 5.1185 8.8172 124.0195 53.0405 44.3461 176.5254 44 S 4.9031 9.3705 117.7717 57.1942 64.5739 173.5829 45 P 4.2286 0.0000 0.0000 65.6279 30.9646 178.9187 46 E 3.9387 8.1407 117.2786 59.3443 29.5489 178.9944 47 E 3.9961 8.2085 118.6493 59.3815 29.5545 179.4213 48 I 3.7016 7.8340 119.8042 64.7394 37.2052 178.5733 49 T 3.8082 8.1268 116.8520 66.9505 68.0350 176.1088 50 H 4.1324 8.0748 118.9991 59.3098 29.9691 177.2579 51 S 4.2608 7.9565 116.8032 61.6913 62.5750 176.7413 52 I 3.7469 7.7946 122.3949 64.0508 36.6139 178.0626 53 R 4.3658 7.7883 116.9103 57.5116 30.0415 177.9693 54 Q 4.0943 7.7469 122.5329 59.1502 29.0565 178.0801 55 K 4.4838 7.8037 122.8016 57.5019 33.4120 179.3302 56 D 4.8492 7.5276 127.3163 51.9570 40.0671 176.8804 57 K 4.0972 8.3901 125.8567 59.0984 32.3107 177.9455 58 N 4.6719 7.9456 113.6125 53.4350 38.5575 175.3246 59 T 3.8979 7.6996 117.2246 63.6858 69.1734 174.3390 60 S 4.5491 8.3807 120.8795 57.3288 64.7061 175.0383 61 I 3.7001 8.1100 121.1196 63.4778 37.6955 178.3607 62 S 4.4799 8.0282 115.5193 61.5985 63.0302 176.3726 63 S 4.1439 8.0767 117.9979 61.0447 62.5858 176.7634 64 V 3.4681 7.2989 120.6873 65.8364 31.2094 177.3051 65 Y 4.3094 7.6312 116.5390 61.4360 37.6491 179.0245 66 R 3.9947 8.0976 118.5191 59.4309 30.2338 179.0571 67 I 3.7723 7.8257 119.2273 64.5338 37.1446 178.2643 68 L 3.9090 8.1657 119.9738 58.1893 41.3128 179.5611 69 N 4.4480 8.5003 116.2704 56.1175 38.3970 177.3959 70 F 4.2913 8.1703 122.3306 61.3716 39.5034 177.3686 71 L 4.1022 8.2247 118.6831 57.7585 41.4725 179.1880 72 E 4.1364 8.4863 119.5176 59.0669 29.3788 178.7251 73 K 3.9605 7.6113 119.0614 59.1193 32.3086 177.6790 74 E 4.0618 7.5824 116.0333 55.4149 29.4232 176.0756 75 N 4.2050 7.4634 114.7375 54.3975 36.7542 175.4511 76 F 4.7384 8.1930 120.1046 59.4781 40.1556 175.4940 77 I 5.2570 7.7478 109.8069 59.3391 41.2327 174.6520 78 S 5.0099 9.3878 118.7212 56.6786 66.0078 173.5741 79 V 4.5049 8.3601 122.7589 59.8327 33.4342 174.5666 80 L 4.5262 8.8689 126.7433 53.2526 44.5225 175.2421 81 E 4.6950 8.7720 126.5648 55.5638 28.9850 176.0625 82 T 4.3275 8.6715 115.7975 63.3922 68.7254 174.6575 83 S 4.6768 7.6788 119.0299 57.6671 67.0693 175.1649 84 K 4.0917 8.7408 122.2705 57.3788 31.3347 174.4692 85 S 4.6072 7.8950 111.8890 58.9022 64.8045 174.8672 86 G 3.9459 7.4654 106.5203 45.9123 0.0000 172.9529 87 R 5.1910 8.6757 123.9951 54.4556 33.2593 175.4180 88 R 4.9565 8.7285 120.7500 54.7317 34.8812 173.8067 89 Y 5.3948 9.2109 119.2071 56.4385 42.1727 174.4062 90 E 5.0561 9.1080 119.0475 54.5049 33.7825 174.2620 91 I 4.1454 8.3302 120.5389 61.3187 38.1417 175.8179 92 A 4.1787 8.7433 130.0895 53.7686 18.9994 178.4013 93 A 4.3691 7.6129 120.2692 51.7445 17.6160 176.4782 94 K 4.8656 7.2835 120.3290 53.5461 36.3906 177.0638 95 E 4.1417 8.4943 119.0549 56.0407 30.2091 176.2770 96 H 4.0941 8.5305 119.9543 57.3732 30.2971 173.8493 97 H 4.4979 7.6816 119.3724 54.8390 31.5015 172.0073 98 D 4.6325 8.3373 119.7566 52.7984 44.3147 174.6072 99 H 5.4288 8.3326 115.4121 54.4383 32.4531 173.0824 100 I 4.8535 9.0770 124.2424 59.8175 39.4038 174.7367 101 I 4.9055 8.6229 127.5271 59.4966 40.8865 174.1380 102 C 4.7142 8.9555 128.6200 58.9775 31.8871 174.4161 103 L 4.0701 8.9519 127.1570 57.5265 41.3103 177.8392 104 H 4.0882 7.6596 117.4957 56.9864 30.3748 175.1335 105 C 4.4457 7.9414 111.4239 57.4222 31.1507 174.7334 106 G 3.8879 7.9949 107.7444 44.4085 0.0000 173.3232 107 K 3.9446 7.7994 121.2880 57.0255 33.2527 175.1648 108 I 4.8953 8.3446 126.9856 59.5501 39.7453 174.7729 109 I 4.5294 8.7133 127.9764 59.4093 39.6819 175.0019 110 E 4.8574 8.9145 127.1938 56.3376 30.4731 176.1127 111 F 5.0157 8.6728 116.6245 55.8737 42.0124 173.6349 112 A 4.5998 8.4908 121.7073 50.7445 20.6825 174.3806 113 D 4.6842 8.7730 120.9388 53.3770 42.3104 175.4766 114 P 4.2595 0.0000 0.0000 65.6442 31.3029 178.1826 115 E 3.9207 8.1559 117.5335 59.3502 29.6833 178.6447 116 I 3.7230 8.0763 119.7583 64.5445 36.8084 178.1542 117 E 3.9511 8.4483 119.4570 59.5747 29.2654 179.3217 118 N 4.4045 8.3630 116.4211 56.4672 38.6428 177.7634 119 R 4.1076 8.4426 119.8648 59.1844 30.0746 179.0399 120 Q 3.9939 8.1540 117.9289 59.1685 28.6962 178.7526 121 N 4.3503 7.7785 115.9916 56.4187 38.6410 177.3261 122 E 3.9432 8.3050 120.0085 59.2809 29.3125 179.5278 123 V 3.6185 8.0208 117.5760 66.3143 31.9433 178.2934 124 V 4.0397 8.0800 114.5388 64.9069 31.3285 179.2809 125 K 3.9869 8.3510 123.7784 59.6858 31.2530 181.6080 126 K 4.1498 7.7179 118.8576 58.8673 31.5537 177.4199 127 Y 4.5444 7.8511 115.1117 56.4499 38.0314 175.5729 128 Q 3.5511 8.2420 117.7145 56.8837 27.1307 173.5207 129 A 4.6970 7.3335 118.8712 50.4027 21.2151 177.0105 130 K 4.4174 8.2450 120.8749 54.3673 33.4851 175.9143 131 L 4.2009 8.4978 128.6900 55.0749 42.7483 175.4788 132 I 4.2301 8.4232 126.2586 62.6080 38.5525 175.3304 133 S 4.5596 7.5499 110.7408 58.0714 65.4579 172.2573 134 H 4.7736 7.9273 114.2544 54.5137 30.6650 172.5271 135 D 4.6627 8.5563 119.2283 52.6477 42.9226 174.4032 136 M 4.8600 8.5300 126.1482 53.7315 35.3521 173.9332 137 K 4.8815 8.7941 124.4751 54.7833 36.1206 175.3752 138 M 4.6682 8.9288 123.6336 53.5582 34.9543 174.5609 139 F 5.2467 8.8538 122.6134 56.5672 40.8441 175.5452 140 V 4.6873 8.9799 115.6887 59.9374 36.8595 173.4082 141 W 4.8641 8.7970 131.3610 55.7691 32.1094 175.4081 142 C 4.4422 8.4690 122.3832 57.4326 30.2463 174.4448 143 K 3.9365 8.6478 120.7441 59.8766 31.5478 178.5419 144 E 4.0667 8.0806 118.2540 59.1366 29.3692 178.3868 145 C 4.2420 7.9031 114.9955 61.7240 28.3789 175.7038 146 Q 4.3601 7.8437 119.9359 58.9325 28.6112 177.6993 147 E 4.1261 8.1035 117.3586 59.5492 29.6198 176.9965 148 S 4.3198 7.7918 118.8800 58.4982 62.9636 173.7897 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 4.36 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 2 K 8.37 4.33 0.00 1.79 1.75 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.50 7.81 3 R 9.06 4.75 0.00 1.77 1.84 0.00 2.81 0.00 0.00 2.96 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.70 0.00 4 L 8.53 4.37 0.00 1.65 1.73 0.96 1.05 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 5 E 7.67 4.77 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 6 T 8.27 4.41 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 1.24 0.00 0.00 7 L 7.90 3.29 0.00 0.27 1.22 0.59 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.92 3.88 0.00 2.18 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 2.32 2.33 0.00 9 S 7.99 4.07 0.00 3.95 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.70 3.83 1.97 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.65 0.94 0.00 0.00 11 L 8.22 3.87 0.00 1.72 1.63 0.82 0.68 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 12 E 8.28 3.98 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 2.52 2.49 0.00 13 R 8.15 4.04 0.00 2.33 2.22 0.00 3.20 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.99 0.00 14 L 7.95 3.84 0.00 1.16 1.64 0.83 0.63 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 15 R 8.08 3.94 0.00 2.03 1.96 0.00 3.24 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 16 M 8.29 4.11 0.00 2.08 2.34 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.88 0.00 17 S 8.24 4.31 0.00 4.20 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.42 3.77 2.06 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 1.59 0.76 0.92 0.00 0.00 19 K 7.88 3.95 0.00 1.75 1.81 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 20 K 7.89 4.06 0.00 1.80 2.17 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.55 7.81 21 N 8.52 4.66 0.00 2.96 2.93 0.00 0.00 7.06 8.26 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 22 G 8.58 3.90 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 0.00 23 L 7.86 4.48 0.00 1.54 1.43 0.34 0.68 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 24 K 8.10 4.09 0.00 1.81 1.74 0.00 1.56 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.38 7.81 25 N 8.36 4.59 0.00 2.70 2.81 0.00 0.00 6.68 7.57 0.00 0.00 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 S 8.22 4.73 0.00 3.78 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 27 K 8.49 3.99 0.00 1.80 1.80 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.10 7.81 28 Q 8.10 4.20 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 29 R 8.05 3.88 0.00 1.85 2.03 0.00 3.04 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 30 E 7.93 3.93 0.00 2.12 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 2.25 2.42 0.00 31 E 8.45 3.96 0.00 2.06 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 2.30 2.43 0.00 32 V 7.91 3.52 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 0.94 0.00 0.00 0.91 0.00 0.00 33 V 7.44 3.60 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 0.96 0.00 0.00 0.85 0.00 0.00 34 S 8.11 4.05 0.00 3.96 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 35 V 7.95 3.61 2.22 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 0.99 0.00 0.00 0.98 0.00 0.00 36 L 7.74 4.05 0.00 1.88 1.77 0.98 1.01 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 37 Y 8.29 4.07 0.00 3.16 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 38 R 8.15 4.17 0.00 1.95 2.03 0.00 3.33 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.88 0.00 39 S 7.50 4.27 0.00 3.94 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 40 G 8.59 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 0.00 0.00 0.00 41 T 7.64 4.68 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 1.22 0.00 0.00 42 H 8.77 4.95 0.00 3.03 3.31 0.00 5.87 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.82 5.12 0.00 1.67 1.61 0.95 0.55 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 44 S 9.37 4.90 0.00 4.09 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 45 P 0.00 4.23 0.00 2.11 1.88 0.00 3.77 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 46 E 8.14 3.94 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 2.42 2.47 0.00 47 E 8.21 4.00 0.00 2.21 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 2.33 2.36 0.00 48 I 7.83 3.70 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.99 0.85 0.00 0.00 49 T 8.13 3.81 4.35 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 1.15 0.00 0.00 50 H 8.07 4.13 0.00 3.20 3.52 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.96 4.26 0.00 4.16 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 52 I 7.79 3.75 1.93 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 1.47 0.50 0.87 0.00 0.00 53 R 7.79 4.37 0.00 1.73 1.93 0.00 3.15 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 54 Q 7.75 4.09 0.00 1.93 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 55 K 7.80 4.48 0.00 1.89 1.69 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.30 1.04 7.81 56 D 7.53 4.85 0.00 2.64 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.39 4.10 0.00 1.75 1.85 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.51 7.81 58 N 7.95 4.67 0.00 2.81 2.83 0.00 0.00 7.03 8.78 0.00 0.00 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 T 7.70 3.90 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 1.17 0.00 0.00 60 S 8.38 4.55 0.00 4.00 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 61 I 8.11 3.70 1.78 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.97 0.98 0.00 0.00 62 S 8.03 4.48 0.00 4.19 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 63 S 8.08 4.14 0.00 4.07 4.15 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 64 V 7.30 3.47 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 0.90 0.00 0.00 0.82 0.00 0.00 65 Y 7.63 4.31 0.00 3.25 2.92 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 66 R 8.10 3.99 0.00 2.11 2.02 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.96 0.00 67 I 7.83 3.77 1.99 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 1.51 0.94 0.93 0.00 0.00 68 L 8.17 3.91 0.00 1.70 1.33 0.26 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.50 4.45 0.00 2.97 2.96 0.00 0.00 6.70 8.10 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 70 F 8.17 4.29 0.00 3.02 3.28 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 71 L 8.22 4.10 0.00 1.95 1.85 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.49 4.14 0.00 2.26 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 2.55 2.60 0.00 73 K 7.61 3.96 0.00 1.85 1.87 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.48 7.81 74 E 7.58 4.06 0.00 1.71 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 75 N 7.46 4.21 0.00 2.65 2.77 0.00 0.00 6.93 7.16 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 76 F 8.19 4.74 0.00 3.11 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 77 I 7.75 5.26 2.15 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.81 1.02 0.00 0.00 78 S 9.39 5.01 0.00 3.73 3.76 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 79 V 8.36 4.50 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 0.65 0.00 0.00 0.42 0.00 0.00 80 L 8.87 4.53 0.00 1.53 1.50 0.65 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.77 4.70 0.00 2.01 1.93 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 2.24 2.25 0.00 82 T 8.67 4.33 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 83 S 7.68 4.68 0.00 3.97 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 84 K 8.74 4.09 0.00 1.77 1.74 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.01 7.81 85 S 7.89 4.61 0.00 3.95 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 86 G 7.47 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 87 R 8.68 5.19 0.00 1.77 1.51 0.00 3.21 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 88 R 8.73 4.96 0.00 1.62 1.77 0.00 3.06 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 89 Y 9.21 5.39 0.00 2.86 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 90 E 9.11 5.06 0.00 1.93 1.91 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 2.22 2.27 0.00 91 I 8.33 4.15 1.89 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.80 0.79 0.00 0.00 92 A 8.74 4.18 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 93 A 7.61 4.37 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 94 K 7.28 4.87 0.00 1.71 1.65 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.23 1.31 7.81 95 E 8.49 4.14 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 2.26 2.30 0.00 96 H 8.53 4.09 0.00 3.05 3.25 0.00 5.95 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.68 4.50 0.00 3.04 3.04 0.00 5.54 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 D 8.34 4.63 0.00 1.58 2.44 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 99 H 8.33 5.43 0.00 2.96 3.09 0.00 5.79 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 9.08 4.85 2.04 0.00 0.00 0.49 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 0.74 0.88 0.00 0.00 101 I 8.62 4.91 1.81 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.54 0.99 0.00 0.00 102 C 8.96 4.71 0.00 2.95 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 0.00 103 L 8.95 4.07 0.00 1.65 1.81 1.20 1.25 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 0.00 104 H 7.66 4.09 0.00 1.40 2.49 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 C 7.94 4.45 0.00 3.03 2.92 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 0.00 106 G 7.99 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 0.00 107 K 7.80 3.94 0.00 1.82 1.67 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.50 1.48 7.81 108 I 8.34 4.90 1.81 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 1.29 0.93 0.73 0.00 0.00 109 I 8.71 4.53 1.90 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 0.78 0.95 0.00 0.00 110 E 8.91 4.86 0.00 1.81 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 111 F 8.67 5.02 0.00 3.04 3.05 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 0.00 0.00 0.00 0.00 112 A 8.49 4.60 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 8.77 4.68 0.00 2.96 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 0.00 114 P 0.00 4.26 0.00 2.21 2.11 0.00 3.69 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 115 E 8.16 3.92 0.00 2.04 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 0.00 2.39 2.41 0.00 116 I 8.08 3.72 2.13 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.16 0.98 0.00 0.00 117 E 8.45 3.95 0.00 2.13 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 2.63 2.53 0.00 118 N 8.36 4.40 0.00 2.95 3.03 0.00 0.00 7.07 7.20 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 0.00 119 R 8.44 4.11 0.00 1.95 1.99 0.00 3.15 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 120 Q 8.15 3.99 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 121 N 7.78 4.35 0.00 2.95 2.87 0.00 0.00 7.09 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 0.00 122 E 8.31 3.94 0.00 2.15 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 2.33 2.50 0.00 123 V 8.02 3.62 2.29 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 1.00 0.00 0.00 0.98 0.00 0.00 124 V 8.08 4.04 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 0.76 0.00 0.00 1.05 0.00 0.00 125 K 8.35 3.99 0.00 1.76 1.83 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.33 7.81 126 K 7.72 4.15 0.00 1.57 1.64 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.86 1.24 7.81 127 Y 7.85 4.54 0.00 3.16 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 0.00 128 Q 8.24 3.55 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 129 A 7.33 4.70 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 0.00 130 K 8.24 4.42 0.00 1.72 1.72 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.40 7.81 131 L 8.50 4.20 0.00 1.64 1.69 1.01 1.13 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 0.00 132 I 8.42 4.23 1.86 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 1.63 1.01 0.90 0.00 0.00 133 S 7.55 4.56 0.00 3.86 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 0.00 134 H 7.93 4.77 0.00 3.23 3.25 0.00 5.47 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 D 8.56 4.66 0.00 2.60 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.53 4.86 0.00 2.27 1.91 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 2.63 2.69 0.00 137 K 8.79 4.88 0.00 1.42 1.03 0.00 1.77 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.23 1.40 7.81 138 M 8.93 4.67 0.00 1.86 1.87 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 139 F 8.85 5.25 0.00 3.00 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 0.00 140 V 8.98 4.69 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 0.75 0.00 0.00 1.06 0.00 0.00 141 W 8.80 4.86 0.00 3.34 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 0.00 142 C 8.47 4.44 0.00 3.13 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 0.00 143 K 8.65 3.94 0.00 1.86 1.86 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.56 7.81 144 E 8.08 4.07 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 2.39 2.45 0.00 145 C 7.90 4.24 0.00 2.64 2.54 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 0.00 146 Q 7.84 4.36 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.95 0.00 0.00 0.00 0.00 0.00 2.62 2.90 0.00 147 E 8.10 4.13 0.00 2.14 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 0.00 2.61 2.41 0.00 148 S 7.79 4.32 0.00 3.94 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