NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Y 5.4098 7.5674 121.7611 58.1772 39.9855 173.6971 4 G 4.1540 8.6910 112.4976 43.9301 0.0000 169.5980 5 I 5.2732 8.4280 111.9930 58.9896 41.8832 173.1002 6 G 4.3496 9.3273 110.1716 44.5102 0.0000 171.2055 7 L 5.3821 8.4612 123.9609 53.1555 45.1519 174.9602 8 D 4.8789 9.1871 124.5214 52.7129 45.3386 173.9336 9 I 4.8378 8.4507 124.4995 60.0409 40.2603 174.6685 10 T 4.8396 9.2561 124.4965 61.4916 71.1636 173.9901 11 E 4.5321 8.8549 125.6696 55.8811 30.4994 177.5051 12 L 3.8153 8.9727 126.8103 57.8945 42.0341 179.0168 13 K 3.7632 7.9649 118.3036 60.5062 32.0203 178.9356 14 R 3.6259 7.8917 117.5945 58.6251 30.0084 178.4165 15 I 3.6830 6.9658 117.6031 62.9963 37.6922 177.5274 16 A 4.6376 7.6653 123.1087 53.8098 18.6137 179.2409 17 S 4.3401 8.5128 112.8604 60.1615 64.2024 175.6772 18 M 4.3127 7.7066 122.1659 53.3503 31.6583 177.3449 19 A 3.9825 8.5662 122.7707 54.6400 17.6307 179.9686 20 G 3.7838 9.3938 114.3032 48.2175 0.0000 175.5186 21 R 4.2287 7.7795 117.7600 57.4981 29.7646 183.7656 22 Q 4.2233 8.2088 119.9870 60.2713 28.9928 178.6905 23 K 4.2575 8.2370 126.9261 60.6414 31.8124 182.5743 24 R 4.2307 8.0737 121.8666 61.1195 29.4122 180.2748 25 F 4.3312 7.9823 119.7134 61.2341 39.2343 177.1718 26 A 3.5463 8.1156 120.5806 54.9790 17.8629 179.4754 27 E 3.8332 7.8327 116.0210 59.1954 29.4997 179.1070 28 R 4.0489 7.1843 118.2579 58.8396 30.3150 177.9401 29 I 3.0947 6.8053 117.9685 61.7444 37.5553 176.2298 30 L 4.6001 7.0635 118.7825 53.4692 43.3731 177.0342 31 T 4.7315 8.0985 115.7760 60.5388 71.9456 176.6788 32 R 3.9345 8.2903 121.2474 61.9222 28.9688 175.0785 33 S 4.3675 8.0706 113.6484 60.9202 62.3449 175.6935 34 E 4.0047 7.9852 120.8775 58.5967 29.2916 178.9778 35 L 3.7413 8.0385 119.2731 57.7835 41.6650 178.7555 36 D 4.5949 7.9719 118.7964 57.9997 40.6290 179.3958 37 Q 3.8919 7.3342 116.2350 59.0529 28.7093 178.0623 38 Y 3.6103 7.3446 119.6672 60.4384 39.0614 177.1610 39 Y 4.2193 8.0277 118.0600 61.0809 37.8348 178.2954 40 E 3.9776 7.6177 113.8821 57.4324 29.3999 176.6290 41 L 4.5714 7.5771 119.5944 52.3966 44.2088 176.1450 42 S 4.3791 8.1439 117.4883 58.3275 64.5793 175.8671 43 E 3.8702 8.7108 118.3873 61.2491 29.5543 175.8291 44 A 4.1772 7.8588 121.5977 55.1538 18.6219 179.8928 45 R 3.9859 7.8892 115.8710 58.8940 29.9756 179.6779 46 K 4.0533 7.7371 118.5567 59.6488 32.1457 179.0729 47 N 4.4766 8.1413 116.5826 56.2297 38.4086 177.2122 48 E 3.9495 8.2284 120.5464 59.2792 29.8873 178.5076 49 F 4.1249 8.4793 120.7933 61.2282 39.3264 176.9236 50 L 3.8780 8.3079 119.7180 58.1259 41.9742 178.7626 51 A 4.1938 8.3479 120.9293 55.0633 18.2141 179.9150 52 G 3.5414 8.2701 104.4623 47.9395 0.0000 176.3357 53 R 3.7897 7.7063 120.3496 58.8054 30.0234 178.9369 54 F 4.0498 8.4790 120.4496 61.1801 39.3167 177.0684 55 A 4.3314 8.6912 121.6608 54.5603 18.1771 179.5092 56 A 3.9267 8.3761 119.6677 55.3791 18.4875 180.0741 57 K 4.0301 8.3031 117.3449 59.5989 32.0121 179.5505 58 E 3.8390 8.2366 118.7424 59.1648 29.2734 179.2270 59 A 3.9659 8.3058 121.1996 55.2046 18.4344 179.4949 60 F 4.0479 8.7405 119.9167 61.3625 39.3013 177.5217 61 S 4.0597 8.3256 114.1484 61.1102 62.7467 176.7668 62 K 3.9382 8.2347 122.1177 59.1375 31.6148 178.9039 63 A 4.0955 7.7713 121.2842 54.5926 18.3868 179.2903 64 F 4.0596 7.8520 117.0988 59.5449 39.4716 176.2209 65 G 3.9325 8.3675 106.6719 45.5787 0.0000 173.8825 66 T 4.2477 8.0166 107.9298 60.5661 70.6804 175.2969 67 G 3.9859 7.8787 107.5512 45.3489 0.0000 172.5195 68 I 4.0045 7.8701 119.2255 59.5519 38.1577 177.7460 69 G 3.9999 8.3531 114.2760 46.5126 0.0000 175.3510 70 R 3.9644 8.5587 119.9011 59.5477 29.4770 175.7786 71 Q 4.2860 8.0068 115.9304 57.9659 29.3412 176.3118 72 L 4.2737 7.5417 117.5141 53.8405 45.6028 173.6192 73 S 4.7993 8.4105 119.7162 55.9189 65.2405 174.6428 74 F 4.2067 8.4093 123.6389 60.9830 38.7139 177.7432 75 Q 4.1249 8.4576 118.6210 57.9962 28.4184 177.3783 76 D 4.4994 8.3360 117.7978 54.7702 41.4642 175.4921 77 I 4.5105 7.4649 120.7568 59.2315 38.9601 174.7218 78 E 4.5550 8.8472 128.1403 54.2637 32.5896 174.2735 79 I 4.6634 8.3702 127.6627 59.8067 38.8517 175.2081 80 R 4.6189 8.4634 125.0683 54.0703 34.5976 174.3668 81 K 5.2062 8.2090 118.7085 54.8486 35.5632 176.8881 82 D 4.8808 9.1579 124.5428 52.5357 41.0746 176.8512 83 Q 4.0506 8.6387 116.9584 58.5540 28.6203 177.0392 84 N 4.6267 8.7925 114.2671 52.7210 39.0439 175.7451 85 G 3.8952 8.3537 106.7297 45.6003 0.0000 173.1283 86 K 4.4673 8.1544 121.6273 54.8848 33.3390 174.3958 87 P 5.3664 0.0000 0.0000 62.8213 32.9008 174.7241 88 Y 4.9998 8.6760 118.1585 55.9759 41.6973 173.4665 89 I 4.7981 8.4161 121.3711 59.7929 39.6307 174.9353 90 I 4.4245 8.5401 126.6115 59.9861 40.1126 174.9015 91 C 5.1684 8.4883 124.3901 58.8571 33.2536 175.6443 92 T 4.4391 8.0541 122.6108 60.8142 67.6119 175.3742 93 K 4.4065 9.5777 117.0441 57.3196 32.6326 178.1924 94 L 4.1563 8.0526 120.5417 55.7218 40.9767 174.9342 95 S 4.5115 8.3495 125.9564 57.4260 61.7485 175.6452 96 Q 4.1031 9.2084 110.7056 55.0155 25.1853 173.2139 97 A 4.7376 7.5521 115.1271 52.8337 22.6410 176.8596 98 A 4.6477 8.2941 122.4041 50.6119 21.6445 176.1911 99 V 4.9253 8.1545 118.6198 61.4067 34.8872 174.5045 100 H 5.2458 9.1380 123.2897 54.0421 32.3602 172.9926 101 V 5.1597 8.3899 120.3247 60.3656 34.8354 174.4019 102 S 4.7713 8.9110 116.1296 56.9392 66.1201 172.6554 103 I 5.1915 8.3552 125.8414 59.9608 40.6497 174.4706 104 T 4.7779 8.7308 119.3332 60.9567 71.2276 172.0584 105 H 5.4619 8.7781 121.7496 54.5330 32.8749 172.3946 106 T 4.7166 8.6942 116.8191 60.8565 70.7706 174.5442 107 K 4.1928 8.7820 122.8728 57.3803 31.9068 174.2625 108 E 4.1816 8.0662 117.9736 57.1735 30.4262 175.2215 109 Y 5.4401 7.7022 114.7365 56.0309 43.0690 173.9559 110 A 5.3127 9.5305 123.1007 50.2475 21.9578 175.2213 111 A 5.3138 8.9869 123.7429 50.4522 22.9964 174.6463 112 A 5.2297 8.8233 120.0015 50.9545 23.3590 175.4874 113 Q 5.0728 9.0638 116.9959 54.6330 32.7107 174.2588 114 V 5.0195 9.1607 119.9455 61.3828 35.9258 174.0997 115 V 4.9039 8.8414 125.7567 61.2965 34.6041 173.9608 116 I 4.9860 8.9471 129.6280 59.5472 39.0244 174.7303 117 E 3.7911 8.5646 126.9344 53.7713 33.2611 177.2740 118 R 4.1086 8.3854 117.0818 56.9424 29.3324 176.7490 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 3 Y 7.57 5.41 0.00 2.93 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 4 G 8.69 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 0.00 0.00 0.00 5 I 8.43 5.27 1.92 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 1.28 0.94 1.02 0.00 0.00 6 G 9.33 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 0.00 0.00 0.00 0.00 7 L 8.46 5.38 0.00 1.59 1.49 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 8 D 9.19 4.88 0.00 2.71 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 9 I 8.45 4.84 1.82 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.76 0.72 0.00 0.00 10 T 9.26 4.84 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 1.27 0.00 0.00 11 E 8.85 4.53 0.00 2.07 1.77 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 2.44 2.70 0.00 12 L 8.97 3.82 0.00 1.79 1.63 0.96 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.96 3.76 0.00 1.95 1.99 0.00 1.49 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.48 7.81 14 R 7.89 3.63 0.00 1.79 1.92 0.00 3.19 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 15 I 6.97 3.68 1.80 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 1.03 0.22 0.97 0.00 0.00 16 A 7.67 4.64 1.30 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 0.00 0.00 0.00 17 S 8.51 4.34 0.00 3.91 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 18 M 7.71 4.31 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.18 0.00 19 A 8.57 3.98 1.07 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 0.00 0.00 20 G 9.39 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.78 4.23 0.00 1.75 1.93 0.00 3.25 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.18 0.00 22 Q 8.21 4.22 0.00 2.38 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.78 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 23 K 8.24 4.26 0.00 1.80 1.80 0.00 1.85 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.07 7.81 24 R 8.07 4.23 0.00 1.81 1.97 0.00 3.22 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 25 F 7.98 4.33 0.00 3.15 3.16 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 0.00 0.00 0.00 0.00 26 A 8.12 3.55 0.79 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 0.00 0.00 27 E 7.83 3.83 0.00 2.18 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 2.41 2.38 0.00 28 R 7.18 4.05 0.00 1.66 1.83 0.00 3.37 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 29 I 6.81 3.09 1.11 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 -0.36 0.50 0.00 0.00 30 L 7.06 4.60 0.00 1.50 1.49 0.79 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.10 4.73 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 1.20 0.00 0.00 32 R 8.29 3.93 0.00 1.84 1.98 0.00 3.25 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 33 S 8.07 4.37 0.00 3.87 4.02 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 34 E 7.99 4.00 0.00 2.27 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 2.36 2.33 0.00 35 L 8.04 3.74 0.00 1.89 1.73 0.98 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.97 4.59 0.00 2.74 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 37 Q 7.33 3.89 0.00 2.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 38 Y 7.34 3.61 0.00 2.71 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 39 Y 8.03 4.22 0.00 3.02 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 40 E 7.62 3.98 0.00 1.85 1.94 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 2.69 2.42 0.00 41 L 7.58 4.57 0.00 1.35 1.42 0.50 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.14 4.38 0.00 3.96 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 43 E 8.71 3.87 0.00 2.00 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 2.31 1.94 0.00 44 A 7.86 4.18 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 45 R 7.89 3.99 0.00 1.84 2.00 0.00 3.29 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 46 K 7.74 4.05 0.00 1.94 1.91 0.00 1.52 0.00 0.00 1.27 0.00 0.00 2.13 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.34 1.12 7.81 47 N 8.14 4.48 0.00 2.80 2.90 0.00 0.00 6.74 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.23 3.95 0.00 2.06 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 2.13 1.83 0.00 49 F 8.48 4.12 0.00 3.36 3.38 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 50 L 8.31 3.88 0.00 2.23 1.92 0.63 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.35 4.19 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 52 G 8.27 3.54 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 0.00 53 R 7.71 3.79 0.00 1.75 1.76 0.00 3.03 0.00 0.00 2.69 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.18 0.00 54 F 8.48 4.05 0.00 3.07 3.22 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 0.00 55 A 8.69 4.33 1.50 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 0.00 0.00 56 A 8.38 3.93 1.30 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 0.00 0.00 0.00 57 K 8.30 4.03 0.00 1.93 2.05 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.67 7.81 58 E 8.24 3.84 0.00 1.98 1.87 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 1.63 1.77 0.00 59 A 8.31 3.97 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 60 F 8.74 4.05 0.00 3.16 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 61 S 8.33 4.06 0.00 4.00 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 62 K 8.23 3.94 0.00 1.94 1.88 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.63 7.81 63 A 7.77 4.10 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 64 F 7.85 4.06 0.00 2.37 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 65 G 8.37 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.02 4.25 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 1.30 0.00 0.00 67 G 7.88 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 0.00 0.00 0.00 68 I 7.87 4.00 1.60 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.36 0.36 0.00 0.00 69 G 8.35 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 70 R 8.56 3.96 0.00 1.84 1.87 0.00 3.27 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 71 Q 8.01 4.29 0.00 2.18 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 72 L 7.54 4.27 0.00 1.43 1.29 0.51 0.27 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 73 S 8.41 4.80 0.00 3.82 3.81 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 74 F 8.41 4.21 0.00 3.09 3.09 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 0.00 0.00 0.00 0.00 75 Q 8.46 4.12 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 76 D 8.34 4.50 0.00 2.75 2.59 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 77 I 7.46 4.51 1.73 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 0.80 0.62 0.43 0.00 0.00 78 E 8.85 4.56 0.00 1.90 1.63 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 2.05 2.14 0.00 79 I 8.37 4.66 1.86 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.47 0.78 0.00 0.00 80 R 8.46 4.62 0.00 0.67 1.35 0.00 2.90 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.28 0.00 81 K 8.21 5.21 0.00 1.62 1.73 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.40 7.81 82 D 9.16 4.88 0.00 2.95 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 83 Q 8.64 4.05 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 84 N 8.79 4.63 0.00 2.89 2.87 0.00 0.00 7.03 7.28 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 85 G 8.35 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 86 K 8.15 4.47 0.00 1.90 2.04 0.00 1.74 0.00 0.00 1.88 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.49 7.81 87 P 0.00 5.37 0.00 2.12 2.04 0.00 3.88 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.99 0.00 88 Y 8.68 5.00 0.00 3.02 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.42 4.80 1.78 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 1.19 0.59 0.40 0.00 0.00 90 I 8.54 4.42 1.79 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 1.00 0.95 0.90 0.00 0.00 91 C 8.49 5.17 0.00 2.53 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 92 T 8.05 4.44 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 K 9.58 4.41 0.00 1.76 1.92 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.39 7.81 94 L 8.05 4.16 0.00 1.76 2.20 0.96 1.01 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 95 S 8.35 4.51 0.00 3.92 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 96 Q 9.21 4.10 0.00 2.25 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.53 0.00 0.00 0.00 0.00 0.00 2.19 1.90 0.00 97 A 7.55 4.74 1.22 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 0.00 0.00 0.00 98 A 8.29 4.65 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.15 4.93 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 1.08 0.00 0.00 1.08 0.00 0.00 100 H 9.14 5.25 0.00 3.18 3.16 0.00 5.81 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.39 5.16 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 1.00 0.00 0.00 102 S 8.91 4.77 0.00 3.92 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.36 5.19 1.87 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 1.22 0.79 0.90 0.00 0.00 104 T 8.73 4.78 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 0.00 105 H 8.78 5.46 0.00 3.07 3.19 0.00 5.70 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.69 4.72 4.36 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 1.46 0.00 0.00 107 K 8.78 4.19 0.00 1.82 1.71 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.03 7.81 108 E 8.07 4.18 0.00 1.54 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 2.20 2.23 0.00 109 Y 7.70 5.44 0.00 2.91 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 0.00 110 A 9.53 5.31 1.30 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 0.00 0.00 0.00 111 A 8.99 5.31 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 0.00 112 A 8.82 5.23 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 Q 9.06 5.07 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 114 V 9.16 5.02 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 1.07 0.00 0.00 1.11 0.00 0.00 115 V 8.84 4.90 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 1.01 0.00 0.00 1.02 0.00 0.00 116 I 8.95 4.99 1.87 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.60 0.91 0.00 0.00 117 E 8.56 3.79 0.00 1.16 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 1.93 2.00 0.00 118 R 8.39 4.11 0.00 1.85 1.79 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.24 0.00