NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4235 8.3349 115.4126 57.8212 64.6112 173.5138 2 K 4.0898 8.0840 120.8006 56.9922 32.8164 176.1180 3 T 4.0556 8.6920 120.9432 66.0576 69.9506 175.3074 4 N 4.3883 8.0145 120.4296 53.1212 40.0032 173.7456 5 P 4.2864 0.0000 0.0000 65.4331 31.4936 178.9921 6 R 3.8619 8.5109 117.3568 59.2591 30.1706 178.4560 7 L 3.8821 8.2267 119.5669 58.4417 41.7863 179.0693 8 S 4.0447 7.8629 112.8752 61.4250 62.3358 176.1524 9 S 4.0192 7.8499 117.3709 61.5403 62.5784 176.1824 10 L 3.8236 7.9441 122.9794 58.5922 41.8724 179.2532 11 I 3.6303 7.6149 118.6122 64.4042 37.0635 178.3602 12 A 4.0358 7.9033 121.5749 55.1235 18.1615 179.5078 13 D 4.2536 8.7503 118.0227 57.5306 40.7009 178.8013 14 L 3.8761 8.3138 118.7320 57.9818 41.7379 179.4737 15 K 4.1469 7.9587 118.1779 59.0435 32.1243 179.0045 16 S 4.0142 8.3692 113.1047 61.8075 62.1377 176.6748 17 A 4.0502 8.1033 122.9911 54.9213 18.0921 179.4497 18 A 4.5277 8.1312 119.6100 54.1369 18.4421 179.5393 19 R 4.2462 7.7883 115.4298 59.2252 30.9236 178.5196 20 S 4.2733 8.0518 113.8356 62.4781 63.2839 176.8549 21 S 4.4573 8.2057 118.0119 58.5638 63.9571 174.7587 22 G 3.9853 8.5478 110.5920 45.5732 0.0000 174.1633 23 G 3.5967 7.6503 109.8119 45.3248 0.0000 174.3505 24 A 4.4943 8.1866 124.1859 52.8583 20.7561 179.2482 25 V 3.4778 7.2390 110.7370 64.0601 31.5114 178.4261 26 W 4.9881 7.7129 118.4380 60.1772 29.0326 178.7241 27 G 3.6733 8.2399 104.9715 47.5198 0.0000 175.1422 28 D 4.3007 7.9888 120.2212 57.3813 41.2198 178.5661 29 V 3.6334 8.6297 119.1683 65.8066 31.5432 177.6278 30 A 4.0040 8.4590 121.0064 55.4635 17.9823 179.5366 31 E 3.9610 7.9694 115.7884 59.3941 29.8492 179.2948 32 R 4.0433 7.8346 118.4030 59.4948 29.9818 178.6626 33 L 3.8027 7.9798 117.8486 57.6561 41.6319 179.0866 34 E 4.1501 8.1045 117.7821 58.0683 29.5172 177.5529 35 K 4.3367 7.2206 117.4161 54.5547 33.4211 174.6956 36 P 4.3318 0.0000 0.0000 63.0547 31.8767 178.1944 37 R 3.6324 8.3664 119.2389 58.6766 30.3058 179.4361 38 R 3.9650 7.8601 114.0430 58.9088 29.6622 177.3867 39 T 4.2177 7.4825 106.1099 62.2458 69.1334 174.4663 40 H 4.5894 7.6907 119.5844 55.2681 29.8421 174.4309 41 A 4.2464 8.2244 123.1929 51.9367 19.6012 176.7097 42 E 4.8758 8.8213 122.0578 54.1338 30.5365 174.1417 43 V 4.3705 8.5972 123.4883 61.0666 34.0678 174.7199 44 N 5.8364 8.4372 124.3015 51.4497 40.9709 176.2871 45 L 4.1231 8.7199 119.4888 58.3038 41.5000 179.8315 46 G 3.8777 7.6571 103.6872 48.2085 0.0000 175.0960 47 R 4.2486 7.8778 120.3238 59.1197 30.0659 178.6256 48 I 3.8499 7.6554 119.3993 64.2772 36.9995 177.7670 49 E 3.9060 8.2583 119.4294 59.1631 29.4687 178.4997 50 R 3.9211 7.4989 117.7292 58.1493 30.2157 176.2096 51 Y 4.6829 7.7676 111.7122 57.0460 39.9461 175.0606 52 A 4.6049 8.2406 123.7282 51.1083 20.0031 176.9065 53 Q 4.6207 7.7761 114.4277 53.7745 31.6190 175.3336 54 E 3.9161 8.8294 119.7310 58.1867 30.4449 176.4849 55 D 4.2526 8.4947 118.8865 54.5398 37.9609 175.4687 56 E 5.0024 7.4677 113.0949 56.2284 32.0414 175.5882 57 T 4.1350 8.2663 124.2219 63.9851 69.9044 173.3708 58 V 4.3557 9.2264 127.4720 62.2795 33.0881 174.6854 59 V 4.7296 8.8859 129.1267 61.3709 33.4068 174.4605 60 V 4.7859 9.0675 129.7458 59.0659 32.8855 174.8170 61 P 4.7506 0.0000 0.0000 59.7875 29.4517 175.6891 62 G 4.1886 6.8336 119.2583 46.8679 0.0000 173.5851 63 K 4.8051 9.2213 126.5013 54.1201 35.7051 173.5388 64 V 4.8333 8.3925 126.1079 61.3490 33.5282 174.6291 65 L 4.9367 9.4133 128.5259 52.6930 44.7840 176.7487 66 G 3.8899 8.5344 107.5545 46.8291 0.0000 173.7270 67 S 4.3679 8.5396 118.0333 59.2900 64.0741 175.0940 68 G 4.2227 9.1120 110.0090 44.9286 0.0000 172.1140 69 V 4.4214 7.8221 117.0581 60.6661 33.7562 174.4075 70 L 4.9230 8.3288 126.2282 53.5238 44.4317 175.8592 71 Q 4.5632 10.7000 123.9938 56.0843 31.0769 176.5645 72 K 4.1069 8.1375 117.2955 56.3842 33.0386 177.4502 73 D 5.4625 8.5380 123.6230 52.8302 39.8506 174.9452 74 V 4.4147 7.3250 115.6720 59.8876 35.7108 175.7108 75 T 4.8112 8.3261 119.0840 62.3025 70.4314 173.7181 76 V 4.8476 9.0073 127.6052 61.1921 33.8029 174.0878 77 A 5.8086 9.9847 130.4759 49.6193 21.3150 175.0720 78 A 5.0670 8.3670 122.7170 49.5571 22.9312 176.5736 79 V 3.6204 8.5095 118.5185 65.4250 32.0499 175.4985 80 D 4.5009 6.8273 117.6634 53.8580 44.2948 174.6946 81 F 5.4881 8.8852 120.6773 55.3294 42.8479 175.0959 82 S 4.2470 9.2708 117.9763 58.2702 63.8607 175.4179 83 G 4.0117 9.0812 110.1134 48.5706 0.0000 175.9639 84 T 3.8304 7.9853 117.4788 66.6764 68.6317 175.7425 85 A 3.9431 8.1113 121.8889 55.9057 18.3282 178.8986 86 E 3.6586 8.6596 116.2633 59.6393 29.1620 180.0195 87 T 3.8470 7.6555 115.1006 66.6395 68.2030 177.1036 88 K 3.7141 8.4573 120.5946 59.4027 31.9265 179.3494 89 I 3.7385 7.8685 120.4349 64.2106 37.0573 177.8347 90 D 4.8497 7.5859 119.9001 56.0724 40.8731 178.9975 91 Q 4.1550 7.4268 118.1416 58.2143 29.2068 177.1882 92 V 4.4286 6.9932 107.2731 61.0002 33.8738 174.7825 93 G 4.5843 8.1050 111.7686 45.2104 0.0000 173.7939 94 E 4.9165 9.4108 125.5408 54.3445 33.4275 173.4456 95 A 4.8706 8.6585 128.8183 50.3049 20.5258 176.1519 96 V 4.5963 9.2070 122.8907 61.0407 35.4333 174.9830 97 S 4.8793 8.6709 119.1714 57.4579 64.3727 175.3778 98 L 3.9733 8.2627 123.1081 57.9638 41.3911 179.9059 99 E 3.8778 8.0318 118.3024 59.0904 29.3306 179.1613 100 Q 3.9727 8.4154 118.4270 58.9273 28.9120 177.8958 101 A 4.0099 8.2060 121.9933 55.7919 18.1452 179.4453 102 I 2.9533 7.0092 116.4767 64.6279 37.2283 177.7412 103 E 4.1030 7.3820 117.4694 58.9309 29.6108 178.0217 104 N 4.6273 8.2422 115.7469 54.9051 40.1742 175.3368 105 N 5.1628 8.7771 119.3392 51.4408 39.4293 172.9399 106 P 4.4754 0.0000 0.0000 66.1460 31.5901 178.6639 107 E 3.9526 8.5088 116.6590 56.6835 30.1025 176.0349 108 G 3.7152 8.4909 107.9387 46.4022 0.0000 172.7112 109 S 4.5881 8.3443 111.6350 57.6217 66.5769 174.2649 110 H 4.0096 8.5217 115.9131 57.1980 25.6317 174.8005 111 V 4.7215 7.3262 116.3518 59.8878 34.9405 176.0087 112 R 4.4957 8.7230 123.9466 54.5487 32.0868 174.8469 113 V 4.3985 8.3807 127.1543 62.5872 32.2858 174.9999 114 I 4.7061 8.6139 128.9173 59.3645 40.5942 176.2160 115 R 4.1460 8.2661 121.5880 56.5131 29.3567 174.7335 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 S 8.33 4.42 0.00 3.99 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 2 K 8.08 4.09 0.00 1.85 1.79 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.44 1.48 7.81 3 T 8.69 4.06 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 1.21 0.00 0.00 4 N 8.01 4.39 0.00 2.75 2.71 0.00 0.00 7.23 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 5 P 0.00 4.29 0.00 2.19 2.07 0.00 3.64 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.51 3.86 0.00 1.91 1.96 0.00 3.15 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 7 L 8.23 3.88 0.00 1.75 1.84 0.92 0.70 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 8 S 7.86 4.04 0.00 3.99 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 9 S 7.85 4.02 0.00 4.05 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.94 3.82 0.00 1.71 1.83 0.81 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.61 3.63 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 1.45 0.99 0.91 0.00 0.00 12 A 7.90 4.04 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 D 8.75 4.25 0.00 2.74 2.63 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 14 L 8.31 3.88 0.00 1.82 1.93 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.96 4.15 0.00 2.02 1.83 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.74 7.81 16 S 8.37 4.01 0.00 3.89 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 17 A 8.10 4.05 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 18 A 8.13 4.53 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.79 4.25 0.00 1.81 2.00 0.00 3.23 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 20 S 8.05 4.27 0.00 3.93 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 21 S 8.21 4.46 0.00 4.22 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 22 G 8.55 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 23 G 7.65 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 24 A 8.19 4.49 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 25 V 7.24 3.48 1.75 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 0.61 0.00 0.00 -0.42 0.00 0.00 26 W 7.71 4.99 0.00 3.34 3.25 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 27 G 8.24 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.99 4.30 0.00 3.08 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 29 V 8.63 3.63 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.14 0.00 0.00 30 A 8.46 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 7.97 3.96 0.00 2.17 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 2.48 0.00 32 R 7.83 4.04 0.00 1.96 2.06 0.00 3.38 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 33 L 7.98 3.80 0.00 1.62 1.68 0.88 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.10 4.15 0.00 2.22 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 0.00 2.36 2.44 0.00 35 K 7.22 4.34 0.00 2.00 1.78 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.62 7.81 36 P 0.00 4.33 0.00 2.14 1.97 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 37 R 8.37 3.63 0.00 1.79 1.89 0.00 3.10 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 38 R 7.86 3.97 0.00 1.90 2.04 0.00 3.01 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 1.57 1.60 0.00 39 T 7.48 4.22 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 1.21 0.00 0.00 40 H 7.69 4.59 0.00 3.31 3.24 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.22 4.25 1.24 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 0.00 0.00 0.00 42 E 8.82 4.88 0.00 1.82 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 2.19 2.26 0.00 43 V 8.60 4.37 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 1.00 0.00 0.00 0.91 0.00 0.00 44 N 8.44 5.84 0.00 2.71 3.01 0.00 0.00 7.62 6.74 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 45 L 8.72 4.12 0.00 1.84 1.75 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.66 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.88 4.25 0.00 1.95 2.12 0.00 3.13 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.87 0.00 48 I 7.66 3.85 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.75 0.98 0.00 0.00 49 E 8.26 3.91 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 50 R 7.50 3.92 0.00 1.83 1.79 0.00 2.89 0.00 0.00 2.94 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 1.30 0.00 51 Y 7.77 4.68 0.00 2.93 2.90 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 52 A 8.24 4.60 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 7.78 4.62 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.54 2.32 0.00 54 E 8.83 3.92 0.00 1.98 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 2.53 2.36 0.00 55 D 8.49 4.25 0.00 2.81 2.69 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 56 E 7.47 5.00 0.00 1.94 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 0.00 2.12 2.20 0.00 57 T 8.27 4.14 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 1.36 0.00 0.00 58 V 9.23 4.36 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 0.96 0.00 0.00 0.99 0.00 0.00 59 V 8.89 4.73 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 1.03 0.00 0.00 1.16 0.00 0.00 60 V 9.07 4.79 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 1.12 0.00 0.00 0.94 0.00 0.00 61 P 0.00 4.75 0.00 2.12 2.22 0.00 3.98 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 62 G 6.83 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 63 K 9.22 4.81 0.00 1.69 1.55 0.00 1.59 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.28 7.81 64 V 8.39 4.83 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.76 0.00 0.00 65 L 9.41 4.94 0.00 1.84 1.52 0.93 0.71 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 66 G 8.53 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 67 S 8.54 4.37 0.00 4.04 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 68 G 9.11 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 0.00 0.00 0.00 0.00 69 V 7.82 4.42 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 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.33 4.92 0.00 1.59 1.50 1.02 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 10.70 4.56 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 72 K 8.14 4.11 0.00 1.76 1.76 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.80 7.81 73 D 8.54 5.46 0.00 2.75 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 74 V 7.32 4.41 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 0.73 0.00 0.00 1.01 0.00 0.00 75 T 8.33 4.81 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 76 V 9.01 4.85 2.30 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 1.17 0.00 0.00 1.02 0.00 0.00 77 A 9.98 5.81 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 78 A 8.37 5.07 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.51 3.62 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 0.69 0.00 0.00 0.87 0.00 0.00 80 D 6.83 4.50 0.00 2.75 2.36 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 81 F 8.89 5.49 0.00 2.85 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 82 S 9.27 4.25 0.00 3.93 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 83 G 9.08 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.99 3.83 4.27 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 1.23 0.00 0.00 85 A 8.11 3.94 1.58 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 0.00 0.00 86 E 8.66 3.66 0.00 2.00 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 2.20 2.09 0.00 87 T 7.66 3.85 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 88 K 8.46 3.71 0.00 1.89 1.88 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.70 7.81 89 I 7.87 3.74 1.79 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.67 0.85 0.00 0.00 90 D 7.59 4.85 0.00 2.59 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 91 Q 7.43 4.16 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 92 V 6.99 4.43 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 0.72 0.00 0.00 1.02 0.00 0.00 93 G 8.10 4.58 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 0.00 0.00 0.00 94 E 9.41 4.92 0.00 2.01 1.72 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 2.15 2.23 0.00 95 A 8.66 4.87 0.53 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 0.00 0.00 96 V 9.21 4.60 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 1.13 0.00 0.00 0.94 0.00 0.00 97 S 8.67 4.88 0.00 4.10 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.26 3.97 0.00 1.65 1.64 1.02 1.13 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 99 E 8.03 3.88 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 2.34 2.37 0.00 100 Q 8.42 3.97 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 101 A 8.21 4.01 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 0.00 102 I 7.01 2.95 1.69 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 -0.13 -0.13 0.63 0.00 0.00 103 E 7.38 4.10 0.00 2.00 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 2.31 2.32 0.00 104 N 8.24 4.63 0.00 2.88 2.91 0.00 0.00 6.73 8.71 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 0.00 105 N 8.78 5.16 0.00 2.83 2.93 0.00 0.00 6.76 7.72 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 0.00 106 P 0.00 4.48 0.00 2.35 2.44 0.00 3.84 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.06 0.00 107 E 8.51 3.95 0.00 2.14 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 2.42 2.40 0.00 108 G 8.49 3.72 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 0.00 0.00 0.00 109 S 8.34 4.59 0.00 3.93 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 0.00 110 H 8.52 4.01 0.00 3.37 3.37 0.00 5.56 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.33 4.72 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 0.43 0.00 0.00 0.94 0.00 0.00 112 R 8.72 4.50 0.00 2.09 1.83 0.00 3.13 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 113 V 8.38 4.40 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 0.81 0.00 0.00 0.88 0.00 0.00 114 I 8.61 4.71 1.89 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 1.48 0.97 0.93 0.00 0.00 115 R 8.27 4.15 0.00 1.83 1.79 0.00 3.03 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00