NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.3902 8.1849 120.6292 54.5185 43.3022 175.6651 3 L 4.7903 8.7761 123.1378 52.5826 44.6689 174.6223 4 F 5.1676 8.9716 119.7618 55.7724 42.7936 174.8179 5 N 4.7568 9.1277 121.9953 52.4243 38.3253 174.9110 6 K 4.4251 8.5604 125.2244 56.2530 33.1792 177.1178 7 T 4.6848 8.1442 117.3281 61.6486 72.2608 173.9708 8 K 4.3306 8.9719 128.2465 59.3140 33.1408 176.3491 9 S 5.2086 7.6712 110.3334 57.6950 65.5418 174.2513 10 V 4.7032 8.8463 113.5428 59.6587 35.7223 174.3094 11 E 5.5027 8.8905 123.0763 54.5895 32.7141 174.5563 12 F 5.3178 9.1733 119.2334 55.6635 42.4193 173.1238 13 T 4.8270 8.8064 109.4305 59.3757 71.7249 174.3042 14 F 4.4321 9.4334 115.5896 60.0385 37.5647 176.8423 15 G 3.1240 6.8975 109.2783 47.2985 0.0000 173.3675 16 N 4.6135 7.8195 118.4352 52.6147 39.2772 175.1122 17 D 4.4986 8.7491 124.1303 56.8191 41.3380 175.8611 18 T 5.1135 7.4362 106.4378 60.0646 72.5570 173.4863 19 V 4.4222 8.6868 114.2187 59.3723 35.8848 175.0337 20 V 4.5809 8.1248 121.7925 61.1414 34.2724 174.6440 21 I 4.4039 8.3207 129.3282 58.6876 38.7395 173.4263 22 P 4.7252 0.0000 0.0000 63.0736 32.5363 176.8844 23 C 4.8253 8.3960 122.1817 55.7516 47.3546 172.6223 24 F 5.3497 9.0025 125.0280 55.7038 41.9748 174.2430 25 V 3.9659 9.1336 125.7026 62.5179 32.1270 176.4856 26 T 4.5122 8.8870 118.0803 61.4280 69.9387 174.7990 27 N 5.0010 7.6534 119.6884 52.3643 37.9475 174.1267 28 M 4.2630 8.1501 118.2593 57.1657 32.8067 175.2658 29 E 4.6837 9.5586 124.1314 55.8372 31.4166 175.5739 30 A 4.3538 8.1712 122.3997 52.3131 18.9018 178.5324 31 Q 4.3223 8.9278 120.5668 57.4380 29.9581 175.6098 32 N 5.0124 7.6351 115.7485 52.0780 42.0807 174.9012 33 T 4.2181 8.5994 113.5642 63.9677 69.2359 176.4152 34 T 3.9910 8.1510 112.5080 64.5692 68.7885 174.9255 35 E 4.2587 8.2815 120.2032 57.0226 30.2638 175.8163 36 V 5.0678 7.6021 119.2974 61.1592 34.9625 173.4212 37 Y 5.1348 9.0486 126.8968 55.8357 42.4524 174.1113 38 V 5.1395 8.6240 124.7121 61.1680 35.4733 174.2222 39 K 5.2085 9.2753 126.0948 54.5222 36.1239 174.9640 40 W 5.3090 9.6430 124.8452 54.9681 31.6329 175.1157 41 K 5.2274 9.3269 123.8616 54.6813 35.5117 175.1055 42 F 4.6236 8.8715 125.0768 57.0240 42.8322 174.7359 43 K 3.5311 9.0101 126.2637 57.4583 29.5101 175.8000 44 G 3.8897 8.1758 103.2449 45.7198 0.0000 173.7126 45 R 4.5483 7.6909 118.8490 54.0315 32.2640 175.5953 46 D 5.0100 8.5606 121.8140 54.2694 39.9461 176.1611 47 I 4.0924 8.3788 118.4338 61.6539 38.7077 175.5282 48 Y 5.0268 7.7539 124.4576 56.6902 42.3166 173.2283 49 T 5.0526 8.2222 116.1207 59.6930 72.8582 172.4701 50 F 4.9357 8.8122 125.8052 56.5576 42.4406 173.2911 51 D 4.0067 8.1371 127.6581 52.1392 41.4279 177.0308 52 G 3.7386 8.3593 115.9515 47.7181 0.0000 174.3825 53 A 3.9816 7.7057 122.4211 54.2310 18.3965 178.0021 54 L 4.3913 7.7656 112.5091 53.7039 42.8901 175.4508 55 N 4.0124 7.4297 116.6639 54.7077 37.8982 174.0138 56 K 4.5523 7.5922 118.0616 54.7712 35.2257 175.2340 57 S 5.1633 8.8070 123.3849 57.5620 65.0263 173.8917 58 T 4.6361 8.3015 119.2968 62.0241 72.1778 173.4481 59 V 4.8976 8.3536 118.7264 58.6674 35.7560 173.8975 60 P 4.6183 0.0000 0.0000 62.3531 32.1788 177.5168 61 T 4.0120 8.4146 109.2763 64.2230 68.7907 174.9004 62 D 4.6061 8.1217 119.6001 53.9954 40.4718 176.0540 63 F 4.8674 8.0402 120.0239 56.9790 39.7111 177.2096 64 S 4.2640 8.2962 116.3747 60.8467 63.1771 175.1534 65 S 4.3871 8.2481 113.7432 58.5086 63.4862 174.2415 66 A 4.3922 7.8436 124.7180 52.2690 18.7147 176.9146 67 K 4.2733 8.4623 120.0948 55.8725 36.4320 174.3174 68 I 4.6108 7.6044 113.4959 58.9048 41.2339 175.1361 69 E 4.1809 8.3305 123.6175 54.6981 28.9429 176.5247 70 V 3.2815 8.0873 127.2746 65.7379 31.2831 177.6150 71 S 4.1772 7.9162 112.6508 61.0063 63.2383 175.5471 72 Q 4.2503 8.1221 120.3786 56.8557 28.6337 177.6310 73 L 4.2144 7.5771 122.0288 57.1737 41.4325 179.2288 74 L 4.0231 7.8503 117.0401 57.0161 41.7834 177.7760 75 K 4.1859 7.8815 116.1582 56.5724 32.4353 177.6406 76 G 3.9240 8.5443 108.2889 46.2146 0.0000 172.3730 77 D 4.6942 7.9290 119.8929 53.1418 41.5194 175.7770 78 A 4.7846 8.4608 129.2893 51.5472 20.1172 175.9290 79 S 4.3932 8.1668 115.0717 60.5291 63.6141 174.1217 80 L 3.9134 8.1398 126.5265 54.0099 43.3297 175.3373 81 K 4.9992 8.6068 125.5007 54.7797 35.3258 175.0534 82 M 5.0609 8.3042 120.5074 53.6108 35.4795 174.1834 83 D 4.7591 8.7955 119.8035 52.3469 40.6384 177.6919 84 K 3.9376 8.3309 119.8042 59.7869 31.9287 179.6705 85 S 4.0138 7.9592 115.2340 61.7033 62.9198 176.1436 86 D 3.9552 8.3148 121.6769 56.2779 40.6919 178.5853 87 A 4.0054 7.6589 121.4127 55.1175 18.2671 180.1473 88 V 3.6662 7.8841 116.6349 64.2983 31.4584 177.6584 89 S 4.4808 7.2662 111.9501 58.4915 64.2680 173.5329 90 H 5.0467 7.8478 119.4729 55.2599 29.3071 173.5969 91 T 4.4831 7.8498 108.8269 61.7034 70.6486 175.3219 92 G 3.8884 7.9916 108.9453 44.9525 0.0000 171.2819 93 N 5.3932 8.5629 119.3341 52.6828 39.7484 174.3750 94 Y 5.0789 9.4247 122.0463 56.6364 41.0259 174.7353 95 T 4.8589 9.0252 120.5852 61.9818 71.3617 172.4831 96 C 3.8063 8.6352 127.5539 54.5758 45.2546 171.6994 97 E 5.1097 8.9202 128.4680 54.3594 31.7447 174.6300 98 V 5.0461 8.8891 126.5856 61.4669 35.0580 174.2339 99 T 5.1542 8.9939 122.8107 61.7846 72.7976 172.6463 100 E 4.8536 9.0328 126.1602 55.6694 32.7681 177.1425 101 L 3.6189 9.1302 129.7064 56.5097 41.3873 176.8364 102 T 4.3785 8.9498 124.9268 64.7476 70.1223 175.1325 103 R 4.1646 7.7949 121.8541 55.8864 30.6212 175.4586 104 E 5.2037 8.1871 118.6698 54.9862 33.1222 174.0495 105 G 4.4567 8.4264 104.8933 46.1999 0.0000 171.9758 106 E 4.8875 8.5814 117.1807 55.1622 32.9232 174.0504 107 T 4.4529 7.9962 113.5781 60.6018 71.3632 172.2354 108 I 5.1035 8.1900 125.6876 59.6059 40.3050 175.1187 109 I 4.8671 8.9382 126.0187 59.5883 41.5080 173.9039 110 E 4.8386 9.1036 128.1867 55.4483 31.1931 174.6778 111 L 4.9918 9.5017 130.4035 54.2343 43.5989 175.1243 112 K 5.1028 9.3223 126.4836 54.7761 35.1727 174.4772 113 Y 4.4542 8.6563 125.5650 55.7601 40.3070 174.3548 114 R 4.2120 7.8126 128.0257 54.4845 31.4046 175.7865 115 V 3.5067 8.0371 126.7033 62.2132 32.3474 175.7590 116 V 3.9437 8.2311 125.6835 62.9889 31.5192 174.9331 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 2 L 8.18 4.39 0.00 1.61 1.40 0.92 0.58 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 3 L 8.78 4.79 0.00 1.53 1.56 0.92 0.67 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 4 F 8.97 5.17 0.00 2.89 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 5 N 9.13 4.76 0.00 2.78 2.92 0.00 0.00 7.20 7.55 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 6 K 8.56 4.43 0.00 1.85 1.77 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.53 1.70 7.81 7 T 8.14 4.68 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 1.30 0.00 0.00 8 K 8.97 4.33 0.00 1.88 1.84 0.00 1.79 0.00 0.00 1.90 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.48 7.81 9 S 7.67 5.21 0.00 4.06 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.85 4.70 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 0.76 0.00 0.00 1.03 0.00 0.00 11 E 8.89 5.50 0.00 1.98 1.81 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 2.14 2.37 0.00 12 F 9.17 5.32 0.00 3.38 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 13 T 8.81 4.83 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 1.08 0.00 0.00 14 F 9.43 4.43 0.00 3.27 3.37 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 15 G 6.90 3.12 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 0.00 0.00 0.00 0.00 16 N 7.82 4.61 0.00 3.04 3.04 0.00 0.00 7.02 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 17 D 8.75 4.50 0.00 2.68 2.68 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 0.00 0.00 0.00 0.00 18 T 7.44 5.11 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 1.14 0.00 0.00 19 V 8.69 4.42 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.51 0.00 0.00 20 V 8.12 4.58 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 0.74 0.00 0.00 0.83 0.00 0.00 21 I 8.32 4.40 1.14 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.28 1.00 0.00 0.00 22 P 0.00 4.73 0.00 2.39 2.30 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 23 C 8.40 4.83 0.00 3.20 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 24 F 9.00 5.35 0.00 3.05 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 25 V 9.13 3.97 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 0.77 0.00 0.00 0.47 0.00 0.00 26 T 8.89 4.51 4.23 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 0.00 0.00 0.00 1.25 0.00 0.00 27 N 7.65 5.00 0.00 2.77 2.84 0.00 0.00 6.01 7.66 0.00 0.00 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 M 8.15 4.26 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.79 0.00 29 E 9.56 4.68 0.00 2.04 1.86 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 2.22 2.41 0.00 30 A 8.17 4.35 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 31 Q 8.93 4.32 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.56 0.00 0.00 0.00 0.00 0.00 2.48 2.30 0.00 32 N 7.64 5.01 0.00 2.71 2.66 0.00 0.00 6.99 7.22 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 33 T 8.60 4.22 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 34 T 8.15 3.99 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 1.28 0.00 0.00 35 E 8.28 4.26 0.00 2.25 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 2.34 2.27 0.00 36 V 7.60 5.07 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 1.12 0.00 0.00 1.01 0.00 0.00 37 Y 9.05 5.13 0.00 3.10 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 38 V 8.62 5.14 2.38 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 1.20 0.00 0.00 1.10 0.00 0.00 39 K 9.28 5.21 0.00 1.75 1.73 0.00 1.85 0.00 0.00 2.02 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.59 1.69 7.81 40 W 9.64 5.31 0.00 3.38 3.23 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 0.00 0.00 0.00 0.00 41 K 9.33 5.23 0.00 1.69 1.67 0.00 1.61 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.38 7.81 42 F 8.87 4.62 0.00 2.51 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.01 3.53 0.00 1.57 1.59 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.62 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.84 0.21 7.81 44 G 8.18 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 45 R 7.69 4.55 0.00 2.00 1.84 0.00 3.20 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 46 D 8.56 5.01 0.00 2.69 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 47 I 8.38 4.09 0.56 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 0.56 0.51 0.50 0.00 0.00 48 Y 7.75 5.03 0.00 3.11 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 49 T 8.22 5.05 4.11 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 1.24 0.00 0.00 50 F 8.81 4.94 0.00 3.24 2.97 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 51 D 8.14 4.01 0.00 2.42 2.24 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 52 G 8.36 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.71 3.98 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 54 L 7.77 4.39 0.00 1.51 1.63 0.90 1.00 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 55 N 7.43 4.01 0.00 2.82 2.83 0.00 0.00 6.82 6.70 0.00 0.00 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 K 7.59 4.55 0.00 1.91 1.44 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.23 1.33 7.81 57 S 8.81 5.16 0.00 3.89 3.85 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 58 T 8.30 4.64 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 1.18 0.00 0.00 59 V 8.35 4.90 2.35 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 0.99 0.00 0.00 1.01 0.00 0.00 60 P 0.00 4.62 0.00 2.54 2.25 0.00 3.94 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.03 0.00 61 T 8.41 4.01 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 1.24 0.00 0.00 62 D 8.12 4.61 0.00 2.74 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.04 4.87 0.00 3.07 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 64 S 8.30 4.26 0.00 3.99 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 65 S 8.25 4.39 0.00 3.95 4.06 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 66 A 7.84 4.39 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 67 K 8.46 4.27 0.00 1.72 1.82 0.00 1.18 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.16 1.21 7.81 68 I 7.60 4.61 1.70 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.61 0.00 0.00 69 E 8.33 4.18 0.00 1.93 1.83 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 2.26 2.22 0.00 70 V 8.09 3.28 1.90 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 0.75 0.00 0.00 0.29 0.00 0.00 71 S 7.92 4.18 0.00 4.04 3.96 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 0.00 0.00 0.00 72 Q 8.12 4.25 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 73 L 7.58 4.21 0.00 1.81 1.74 0.81 0.52 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 74 L 7.85 4.02 0.00 1.64 1.75 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.88 4.19 0.00 1.95 1.89 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.39 7.81 76 G 8.54 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 0.00 0.00 0.00 77 D 7.93 4.69 0.00 2.85 2.74 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 0.00 0.00 0.00 78 A 8.46 4.78 1.26 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 0.00 0.00 79 S 8.17 4.39 0.00 3.64 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 80 L 8.14 3.91 0.00 0.27 0.13 0.19 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.61 5.00 0.00 1.46 1.47 0.00 1.55 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.17 1.13 7.81 82 M 8.30 5.06 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 83 D 8.80 4.76 0.00 2.86 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 84 K 8.33 3.94 0.00 2.10 2.33 0.00 1.38 0.00 0.00 1.91 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.45 7.81 85 S 7.96 4.01 0.00 4.01 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 0.00 86 D 8.31 3.96 0.00 2.51 2.50 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 87 A 7.66 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.88 3.67 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 0.73 0.00 0.00 0.10 0.00 0.00 89 S 7.27 4.48 0.00 3.83 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 90 H 7.85 5.05 0.00 3.08 2.70 0.00 5.85 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 91 T 7.85 4.48 4.63 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 1.52 0.00 0.00 92 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 93 N 8.56 5.39 0.00 2.62 2.82 0.00 0.00 6.62 7.46 0.00 0.00 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 Y 9.42 5.08 0.00 3.15 3.40 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 95 T 9.03 4.86 4.23 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 0.00 0.00 0.00 1.12 0.00 0.00 96 C 8.64 3.81 0.00 1.23 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 0.00 0.00 0.00 0.00 97 E 8.92 5.11 0.00 1.92 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 2.22 2.19 0.00 98 V 8.89 5.05 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 1.03 0.00 0.00 1.05 0.00 0.00 99 T 8.99 5.15 4.34 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 1.27 0.00 0.00 100 E 9.03 4.85 0.00 1.99 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 2.21 2.29 0.00 101 L 9.13 3.62 0.00 1.80 1.10 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.95 4.38 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 1.20 0.00 0.00 103 R 7.79 4.16 0.00 2.03 1.85 0.00 3.06 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 104 E 8.19 5.20 0.00 2.03 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 2.17 2.31 0.00 105 G 8.43 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.58 4.89 0.00 1.79 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 0.00 2.07 2.14 0.00 107 T 8.00 4.45 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 0.83 0.00 0.00 108 I 8.19 5.10 1.87 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 1.31 0.72 1.02 0.00 0.00 109 I 8.94 4.87 2.11 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 1.27 0.96 1.04 0.00 0.00 110 E 9.10 4.84 0.00 2.29 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 2.42 2.54 0.00 111 L 9.50 4.99 0.00 1.85 2.01 0.90 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.32 5.10 0.00 1.80 1.72 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.46 7.81 113 Y 8.66 4.45 0.00 2.43 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 0.00 114 R 7.81 4.21 0.00 1.85 1.56 0.00 3.25 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 1.41 1.41 0.00 115 V 8.04 3.51 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 0.80 0.00 0.00 0.95 0.00 0.00 116 V 8.23 3.94 2.28 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 0.94 0.00 0.00 1.02 0.00 0.00