NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.0338 8.0544 120.3964 62.7680 33.4886 174.8148 7 S 4.5295 7.4254 114.5062 56.4812 62.9418 172.1322 8 A 4.2490 9.3631 121.6495 54.6457 19.7016 179.3307 9 S 4.7164 7.8007 110.8745 60.6366 63.8102 176.6873 10 S 4.3670 8.0817 115.4793 60.4076 62.9021 175.4460 11 R 4.4538 7.9286 115.8919 56.4973 30.5408 178.2949 12 W 4.7702 7.9322 128.8863 60.8021 30.6333 177.2542 13 L 3.8236 7.8784 120.0309 58.4737 41.4269 178.6826 14 E 4.0796 8.5744 119.0882 59.1586 29.5923 179.0584 15 G 3.7559 7.9389 105.6926 47.5299 0.0000 175.9991 16 I 3.3859 8.0109 122.3266 64.2686 37.1041 178.4088 17 R 3.9326 7.9982 119.2120 59.6000 29.9735 178.9068 18 K 2.8515 7.7343 118.8402 58.5470 31.9182 178.7840 19 W 4.0330 7.9594 128.8385 60.4630 30.5962 177.4533 20 Y 2.9039 8.4203 119.5509 60.6336 38.3650 176.9653 21 Y 3.9708 8.1730 120.7732 61.0660 38.7140 178.3474 22 N 4.1882 7.5326 114.9606 55.7865 38.6441 177.2261 23 A 3.5853 7.0705 121.6923 54.6777 18.4103 178.8155 24 A 3.6084 7.1531 119.2144 54.2929 17.9860 179.0553 25 G 3.5168 6.8982 103.2144 46.9359 0.0000 175.7035 26 F 3.9227 6.8800 117.3801 58.9571 38.3449 177.2178 27 N 4.4502 7.4165 118.8911 55.4065 37.6266 177.1103 28 K 2.4800 6.9891 118.1834 57.9757 32.0706 177.5756 29 L 4.7340 7.3093 118.1727 54.3185 42.1627 177.2550 30 G 3.9749 8.1199 105.2126 45.9529 0.0000 174.6257 31 L 4.4863 7.6875 119.5434 54.1828 42.2355 176.7000 32 M 4.8139 8.8617 122.0413 54.1864 33.6408 177.3704 33 R 3.2089 8.9639 121.1092 59.7118 30.5171 178.7991 34 D 4.2337 7.8561 116.6283 56.8464 41.0526 177.9128 35 D 4.4448 7.5408 117.9884 57.1321 40.8563 177.7165 36 T 4.0871 7.2312 106.8793 61.5509 69.6273 174.9796 37 I 3.4493 6.8078 121.9334 61.4131 38.1986 174.6238 38 H 4.0766 8.8631 126.8937 56.8679 29.8182 175.0754 39 E 4.1625 8.4985 127.1452 55.7303 28.1473 176.4876 40 N 4.7354 7.8201 122.9809 51.3990 41.4125 174.6044 41 D 4.3254 8.5062 118.8157 58.2081 40.9049 178.5065 42 D 4.3651 8.5227 119.3982 57.3355 40.7222 179.1605 43 V 3.5436 7.8952 118.1325 65.9417 31.6538 177.7170 44 K 3.8311 8.3584 118.7224 59.7989 31.7040 178.7777 45 E 3.9272 7.9704 117.7037 59.0805 29.8693 178.4115 46 A 4.1640 8.0154 120.8222 55.3040 18.5825 179.3752 47 I 3.6910 7.9943 118.6325 64.8463 36.9705 178.5007 48 R 3.8816 7.7359 118.2178 59.3544 30.0347 178.0823 49 R 4.1347 7.6552 114.7879 56.0346 30.6950 176.8083 50 L 3.6204 6.8674 119.9841 53.4129 42.4939 175.7659 51 P 4.5672 0.0000 0.0000 61.9444 33.7634 177.3311 52 E 3.8921 8.5392 118.1454 59.2635 29.6005 177.8828 53 N 4.2531 8.2576 116.7400 56.4682 37.0162 176.9101 54 L 3.8538 7.8181 121.0362 56.9973 41.8406 178.4689 55 Y 3.8920 8.0575 119.4657 61.0027 38.5362 177.7826 56 D 4.5458 8.9049 119.9602 57.6970 40.8422 179.0328 57 D 4.3679 8.1791 118.9932 57.4566 41.0177 178.5334 58 R 3.7132 8.1388 119.6368 59.8482 29.9581 178.7112 59 V 3.4898 7.9708 112.2472 64.1270 31.4037 178.4751 60 F 4.1100 7.9557 120.4793 60.9895 39.2329 177.3605 61 R 3.6681 8.2249 118.1754 59.5152 29.8820 179.2119 62 I 3.6934 7.5196 119.0986 63.7920 37.0005 178.5571 63 K 3.7835 8.0167 121.2007 59.2301 32.0064 178.5052 64 R 3.5997 7.5663 119.2569 59.6245 29.8315 178.2352 65 A 3.9609 7.7413 120.0106 54.9206 18.5613 179.5704 66 L 4.0090 8.0512 117.6864 57.6840 41.3585 179.3420 67 D 4.2545 7.8806 117.3970 57.3961 41.5426 177.8832 68 L 4.0401 8.1034 119.5036 58.0718 41.4500 179.5153 69 S 3.9845 8.2710 112.7511 61.7944 62.6690 176.1243 70 M 4.1890 8.0637 121.0593 58.3981 31.8343 177.7987 71 R 4.1160 7.8251 113.7973 55.5955 30.6566 176.1640 72 Q 3.1644 7.5554 115.8909 57.9297 26.8875 173.3969 73 Q 4.6392 7.7676 115.0556 54.1772 31.8094 174.4950 74 I 4.7244 7.7284 117.6348 59.1363 41.3516 174.6918 75 L 4.5000 8.5550 125.8160 53.7079 42.6122 175.4312 76 P 4.3442 0.0000 0.0000 62.7552 31.9430 177.7080 77 K 2.0000 8.4321 123.4225 58.8132 32.4152 178.6857 78 E 3.9203 8.0579 117.3563 59.3359 29.3115 177.8113 79 Q 4.4515 7.7584 114.2187 55.5731 29.3772 176.2398 80 W 4.7207 7.6360 117.3225 57.1181 29.6718 175.4129 81 T 4.4691 8.4831 115.8084 61.2467 67.8278 174.5742 82 K 4.5567 8.4830 127.6478 55.6737 33.3022 176.1845 83 Y 3.1494 8.6275 123.0832 60.1515 39.1870 174.9709 84 E 3.4519 7.3361 115.4494 56.6292 30.1289 177.2039 85 E 4.0509 9.1499 121.9001 56.2929 28.1688 174.2713 86 D 4.6136 7.5029 120.5459 57.6667 39.6872 179.5326 87 K 4.4606 7.2935 112.8178 57.9900 28.8105 175.1256 88 S 4.6238 7.7454 123.5110 56.4836 61.9423 174.9035 89 Y 4.2382 7.7168 125.7834 60.5616 38.9728 179.0109 90 L 4.2765 7.4466 121.0031 57.3478 41.5931 178.5176 91 E 3.9108 7.7410 119.2116 58.9594 29.4013 177.0203 92 P 4.1247 0.0000 0.0000 66.4265 31.0064 177.8771 93 Y 4.1008 7.8374 115.8642 60.5195 37.9202 177.8138 94 L 3.9936 8.2237 121.3958 58.0383 42.1225 178.8627 95 K 3.9162 8.7630 120.0132 59.4951 32.0806 178.3877 96 E 3.9220 7.9480 119.2687 59.0171 29.5836 178.5271 97 V 3.6105 7.9216 118.3746 66.3837 31.5288 178.1462 98 I 3.7213 7.8744 119.2649 64.3060 36.9465 178.2908 99 R 3.9291 8.2003 119.8378 59.4448 29.7332 178.5534 100 E 3.9547 8.2501 118.3037 59.4983 29.6482 179.0034 101 R 3.8650 8.1527 118.7538 59.4550 29.8503 178.3683 102 K 4.1337 8.1613 117.9074 58.6654 32.3483 178.6736 103 E 4.0398 8.3138 119.7489 59.3051 29.5236 179.1144 104 R 3.9964 8.3588 118.2873 59.5262 29.9909 178.8728 105 E 4.0588 8.0918 116.7814 59.5392 29.6915 179.0927 106 E 4.1352 8.6990 119.0186 59.1929 29.1380 179.3821 107 W 3.8237 8.5294 118.8062 59.4639 28.8621 178.2685 108 A 4.1906 8.0692 119.7201 54.4406 17.8466 179.2596 109 K 4.1374 7.7535 116.8681 58.4852 32.3223 177.1377 110 K 4.0746 7.5318 121.9467 56.9483 32.7024 176.5806 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 6 V 8.05 4.03 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 0.97 0.00 0.00 0.94 0.00 0.00 7 S 7.43 4.53 0.00 3.99 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 8 A 9.36 4.25 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 9 S 7.80 4.72 0.00 3.99 3.97 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 0.00 0.00 0.00 10 S 8.08 4.37 0.00 3.93 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 11 R 7.93 4.45 0.00 2.08 2.24 0.00 3.00 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.88 0.00 12 W 7.93 4.77 0.00 3.31 3.19 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 13 L 7.88 3.82 0.00 1.85 1.86 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.57 4.08 0.00 2.45 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 2.43 2.57 0.00 15 G 7.94 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 0.00 0.00 0.00 16 I 8.01 3.39 1.67 0.00 0.00 -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 0.48 0.09 0.78 0.00 0.00 17 R 8.00 3.93 0.00 2.08 2.05 0.00 3.20 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 18 K 7.73 2.85 0.00 1.23 1.58 0.00 1.63 0.00 0.00 1.58 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.23 0.98 7.81 19 W 7.96 4.03 0.00 3.44 3.33 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 20 Y 8.42 2.90 0.00 3.23 3.08 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 21 Y 8.17 3.97 0.00 3.31 3.08 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 22 N 7.53 4.19 0.00 2.84 2.74 0.00 0.00 7.12 8.22 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 23 A 7.07 3.59 0.31 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 24 A 7.15 3.61 0.60 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 25 G 6.90 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.88 3.92 0.00 2.96 3.15 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 27 N 7.42 4.45 0.00 3.25 3.07 0.00 0.00 6.29 6.58 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 28 K 6.99 2.48 0.00 1.36 1.26 0.00 1.04 0.00 0.00 1.05 0.00 0.00 2.33 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.30 0.21 7.81 29 L 7.31 4.73 0.00 1.53 1.57 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.12 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.69 4.49 0.00 1.96 1.57 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 32 M 8.86 4.81 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.64 0.00 33 R 8.96 3.21 0.00 2.23 1.97 0.00 3.11 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.97 0.00 34 D 7.86 4.23 0.00 1.99 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 0.00 0.00 0.00 35 D 7.54 4.44 0.00 2.74 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 36 T 7.23 4.09 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 0.50 0.00 0.00 37 I 6.81 3.45 1.77 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 1.13 1.03 0.87 0.00 0.00 38 H 8.86 4.08 0.00 3.09 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.50 4.16 0.00 1.94 1.85 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 2.28 2.26 0.00 40 N 7.82 4.74 0.00 2.96 2.92 0.00 0.00 6.13 8.07 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 41 D 8.51 4.33 0.00 2.74 2.76 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 42 D 8.52 4.37 0.00 2.67 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 43 V 7.90 3.54 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 1.13 0.00 0.00 1.00 0.00 0.00 44 K 8.36 3.83 0.00 2.07 1.87 0.00 1.80 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.46 7.81 45 E 7.97 3.93 0.00 1.98 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 2.34 2.39 0.00 46 A 8.02 4.16 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 47 I 7.99 3.69 1.95 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.32 1.07 0.00 0.00 48 R 7.74 3.88 0.00 1.95 2.13 0.00 3.23 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 49 R 7.66 4.13 0.00 1.90 2.02 0.00 3.33 0.00 0.00 3.33 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.93 0.00 50 L 6.87 3.62 0.00 1.77 1.53 1.05 0.82 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 51 P 0.00 4.57 0.00 2.28 2.22 0.00 3.63 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 2.11 2.12 0.00 52 E 8.54 3.89 0.00 2.07 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 2.37 2.58 0.00 53 N 8.26 4.25 0.00 2.98 3.09 0.00 0.00 6.22 6.67 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 54 L 7.82 3.85 0.00 1.65 1.51 1.05 0.72 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 55 Y 8.06 3.89 0.00 3.06 3.07 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 56 D 8.90 4.55 0.00 2.93 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 57 D 8.18 4.37 0.00 2.75 2.65 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 58 R 8.14 3.71 0.00 1.61 1.84 0.00 3.24 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 59 V 7.97 3.49 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 0.08 0.00 0.00 0.92 0.00 0.00 60 F 7.96 4.11 0.00 3.14 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 61 R 8.22 3.67 0.00 2.06 2.02 0.00 3.51 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 62 I 7.52 3.69 1.76 0.00 0.00 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 1.33 0.59 0.83 0.00 0.00 63 K 8.02 3.78 0.00 1.89 1.65 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.41 7.81 64 R 7.57 3.60 0.00 1.54 1.71 0.00 3.07 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.23 0.00 65 A 7.74 3.96 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 66 L 8.05 4.01 0.00 1.69 1.68 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 67 D 7.88 4.25 0.00 2.64 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 68 L 8.10 4.04 0.00 1.82 1.83 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.27 3.98 0.00 3.80 4.09 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 70 M 8.06 4.19 0.00 2.30 2.01 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 71 R 7.83 4.12 0.00 2.02 1.99 0.00 3.26 0.00 0.00 3.42 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 72 Q 7.56 3.16 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.11 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 73 Q 7.77 4.64 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.26 0.00 74 I 7.73 4.72 1.87 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.74 1.11 0.00 0.00 75 L 8.56 4.50 0.00 2.01 1.82 1.03 0.95 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 76 P 0.00 4.34 0.00 2.08 1.96 0.00 3.69 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 2.15 2.13 0.00 77 K 8.43 2.00 0.00 1.18 1.28 0.00 1.28 0.00 0.00 1.43 0.00 0.00 2.62 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.32 0.21 7.81 78 E 8.06 3.92 0.00 1.94 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 2.27 2.31 0.00 79 Q 7.76 4.45 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 80 W 7.64 4.72 0.00 3.33 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 81 T 8.48 4.47 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 1.51 0.00 0.00 82 K 8.48 4.56 0.00 1.97 1.79 0.00 1.85 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.50 7.81 83 Y 8.63 3.15 0.00 2.30 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 84 E 7.34 3.45 0.00 2.12 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 2.36 2.39 0.00 85 E 9.15 4.05 0.00 2.29 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 2.28 2.27 0.00 86 D 7.50 4.61 0.00 2.79 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 87 K 7.29 4.46 0.00 2.04 2.28 0.00 1.82 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.70 1.61 7.81 88 S 7.75 4.62 0.00 4.03 3.97 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 0.00 0.00 0.00 89 Y 7.72 4.24 0.00 3.22 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 90 L 7.45 4.28 0.00 1.49 1.62 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.74 3.91 0.00 2.10 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 2.30 2.32 0.00 92 P 0.00 4.12 0.00 1.92 2.17 0.00 3.86 0.00 0.00 3.74 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 93 Y 7.84 4.10 0.00 3.16 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 94 L 8.22 3.99 0.00 1.75 1.67 0.91 0.33 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 95 K 8.76 3.92 0.00 1.96 1.94 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.45 7.81 96 E 7.95 3.92 0.00 2.07 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 0.00 2.30 2.37 0.00 97 V 7.92 3.61 2.25 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 1.15 0.00 0.00 1.01 0.00 0.00 98 I 7.87 3.72 2.02 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 1.55 0.78 0.92 0.00 0.00 99 R 8.20 3.93 0.00 1.99 2.12 0.00 3.45 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 100 E 8.25 3.95 0.00 2.25 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 0.00 2.33 2.57 0.00 101 R 8.15 3.86 0.00 2.00 2.06 0.00 3.15 0.00 0.00 3.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 102 K 8.16 4.13 0.00 2.04 1.85 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.67 7.81 103 E 8.31 4.04 0.00 2.12 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 2.48 2.56 0.00 104 R 8.36 4.00 0.00 2.19 2.00 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 105 E 8.09 4.06 0.00 2.24 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 0.00 2.37 2.39 0.00 106 E 8.70 4.14 0.00 2.15 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 2.53 2.50 0.00 107 W 8.53 3.82 0.00 3.70 3.35 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 0.00 108 A 8.07 4.19 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 0.00 0.00 0.00 0.00 0.00 109 K 7.75 4.14 0.00 1.92 1.84 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.64 7.81 110 K 7.53 4.07 0.00 1.72 1.62 0.00 1.13 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.09 1.32 7.81