NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7405 8.1633 120.2883 55.3096 34.3328 173.8110 2 I 4.9318 8.7939 122.0860 58.6339 41.1063 172.9051 3 L 5.2102 9.7450 129.6611 53.3103 44.5657 174.8811 4 L 4.6496 8.5919 127.7494 54.3986 42.4784 176.9369 5 D 4.6125 8.9471 123.9282 53.8885 42.5730 177.1510 6 T 3.9399 8.7963 119.2590 66.9229 68.2180 176.3889 7 N 4.5422 8.1721 116.8673 55.1620 37.6175 176.9837 8 V 4.0756 7.7994 120.9581 65.8570 31.7528 177.8158 9 I 3.8532 7.7803 116.1435 63.8869 38.2950 177.3139 10 S 4.3836 8.2310 115.7803 60.4690 62.7520 175.9040 11 E 4.0469 8.0044 122.3899 59.0232 29.2065 177.1132 12 P 4.3809 0.0000 0.0000 64.7981 31.4897 177.6603 13 L 4.3139 7.6046 115.8345 54.8781 42.0549 177.3159 14 R 4.2912 7.2903 118.1847 54.9262 30.9673 174.8190 15 P 4.4551 0.0000 0.0000 65.5853 31.4985 177.4402 16 Q 4.5628 7.5803 115.5454 52.7640 28.9451 173.0990 17 P 4.5134 0.0000 0.0000 62.0880 32.6927 177.3504 18 N 4.3784 9.3189 119.2317 53.5722 39.4184 175.7320 19 E 3.9465 8.8458 128.5633 59.6087 29.5924 179.2995 20 R 3.8435 8.1058 118.7650 59.2698 30.0527 178.8467 21 V 3.4253 7.4635 117.6441 65.6816 31.5606 177.9792 22 V 3.5400 7.5976 117.6140 66.0244 31.1792 177.7462 23 A 3.9975 7.9796 119.2786 54.9402 18.4872 179.0576 24 W 4.2484 8.3145 126.7591 60.7174 30.7101 178.1542 25 L 3.5985 8.3062 118.9623 57.8210 40.8406 179.0947 26 D 4.4132 7.8696 117.5363 56.1734 40.8492 177.8639 27 S 4.3144 7.3641 113.3158 58.2197 63.8774 174.4461 28 L 3.9892 6.4802 122.6464 54.2111 42.3284 176.3273 29 I 4.0429 7.8809 122.4591 59.9893 38.0408 176.2622 30 L 3.7237 8.6968 128.0876 58.2819 41.7917 178.9765 31 E 3.7697 8.0452 115.5399 58.8665 29.5964 177.2936 32 D 4.8170 8.1405 117.7047 53.8764 41.1652 175.2666 33 V 4.9367 7.5617 120.3045 61.3668 33.4483 174.4612 34 Y 5.0996 9.6060 124.7227 56.2247 42.1490 174.4247 35 L 5.0918 8.7100 119.7276 53.0196 45.9691 176.4942 36 S 4.7446 8.6331 116.5282 57.4295 63.6086 174.9204 37 A 4.0972 8.9363 128.3805 55.1767 17.9846 180.4991 38 I 3.6705 8.0059 118.8169 64.9283 37.1246 178.7174 39 T 3.9327 7.8712 116.1384 66.5517 68.2589 176.8253 40 V 3.5606 7.8350 120.0285 65.8301 31.4754 177.9701 41 A 3.9791 8.1465 120.5844 55.2628 18.1758 179.5295 42 E 3.9416 8.3023 117.1233 59.3214 29.5162 179.6011 43 L 3.9804 8.3282 119.4989 57.9951 41.7719 179.7780 44 R 3.9651 8.2491 118.2356 59.0837 29.9357 178.9780 45 L 4.0699 8.2786 120.4674 57.9687 41.8960 179.1160 46 G 3.6711 8.0444 104.7527 47.9203 0.0000 175.4547 47 V 3.7539 7.9095 120.6538 65.6211 31.4051 177.8849 48 A 4.1838 8.0074 118.6846 53.9979 18.2596 178.3812 49 L 4.4335 7.2218 115.3102 53.4768 42.5298 176.8359 50 L 4.1430 7.1967 119.8063 54.9138 42.0416 177.6113 51 L 4.0306 8.4526 122.1735 56.6441 42.1656 177.0253 52 N 4.7650 8.0193 117.5030 51.9012 39.5528 175.1125 53 G 3.7018 8.6416 115.7483 47.9435 0.0000 174.3080 54 K 3.9461 8.0729 120.6505 59.0215 32.1176 179.1018 55 K 3.9129 8.9438 120.0600 59.3368 32.0266 178.5663 56 K 3.9120 8.2829 120.0319 59.6453 32.1376 178.4262 57 N 4.3159 8.2642 116.6243 56.3249 38.4755 177.6007 58 V 3.5642 7.7931 119.5227 66.0531 31.6963 177.8983 59 L 3.9864 8.3767 120.4904 58.1309 41.8236 178.3829 60 H 4.0844 8.5986 118.8372 59.1034 29.7697 176.7828 61 E 3.9386 8.1683 121.0182 59.5258 29.4153 179.0726 62 R 3.9341 8.1538 118.0792 58.9476 30.0111 178.7961 63 L 3.9370 8.3658 120.5188 58.3555 41.9451 179.0202 64 E 3.9403 8.0573 117.0329 59.0991 29.5603 178.6199 65 Q 4.4033 8.3023 115.8228 56.3653 29.4120 176.5627 66 S 4.5616 7.8664 113.6986 59.6308 65.7809 175.9890 67 I 4.0518 8.1478 121.1069 64.2573 37.0959 178.2987 68 L 4.2287 8.3371 120.0365 57.5627 41.5851 177.9655 69 P 4.4019 0.0000 0.0000 65.2295 31.0224 178.3563 70 L 3.9621 7.8749 116.9711 56.4116 41.5745 177.7651 71 F 4.5913 8.1321 117.1089 56.6663 39.4221 174.8603 72 A 4.1358 7.4835 124.2661 54.0568 18.2399 179.2269 73 G 4.0633 9.1299 110.7449 45.7309 0.0000 173.5811 74 R 4.8321 8.4385 118.7368 55.9301 32.2694 174.9066 75 I 4.8139 8.0727 120.8036 59.8242 38.2717 175.3208 76 L 4.4896 9.1933 129.3853 53.4320 42.6304 175.5095 77 P 4.7552 0.0000 0.0000 62.3960 32.9416 176.1918 78 F 4.3573 8.7291 123.6224 56.9371 38.7672 173.9380 79 D 5.0576 7.5563 129.0897 50.9363 42.4059 176.0369 80 E 3.8302 8.7872 117.8801 59.5543 29.2281 177.5059 81 P 4.1973 0.0000 0.0000 65.5435 31.3375 178.8068 82 V 3.4354 7.6631 116.4806 65.6541 31.3248 177.8894 83 A 4.0191 7.6052 120.4871 54.9785 18.2807 179.4689 84 A 3.9818 7.8110 118.8471 55.5098 18.4256 179.9868 85 I 3.8824 7.5708 118.4985 64.4396 37.0361 177.9008 86 Y 4.1865 8.5419 120.6309 60.9168 38.7223 178.2163 87 A 3.9257 8.2654 121.4516 55.1444 18.4720 179.5490 88 Q 3.9575 8.0241 116.1626 59.2197 28.8785 179.1194 89 I 3.6899 7.9851 120.8936 64.6404 37.2303 178.8682 90 R 3.8275 7.9228 119.2314 58.9957 29.7508 179.3677 91 S 4.0909 8.1368 114.2275 61.5265 63.0318 175.8483 92 Y 3.9083 8.1945 123.1749 60.2255 38.5340 177.9526 93 A 4.1149 8.1425 121.6193 55.0712 18.3794 179.4940 94 K 3.8557 8.0829 118.3356 59.7400 32.1411 178.4660 95 T 4.2473 8.0485 106.9414 62.9198 68.8069 174.3275 96 H 4.5652 7.0917 116.6546 55.2538 29.7634 173.7681 97 G 3.9103 7.8105 105.9198 46.3970 0.0000 174.3602 98 K 4.5382 8.3983 118.4355 54.2403 33.9447 175.7195 99 E 4.5913 8.4826 118.9966 54.5211 31.2193 175.7198 100 I 4.2624 7.9864 123.4719 58.5697 40.6126 175.4631 101 A 4.2053 8.2913 127.0201 50.9980 20.4893 177.5145 102 A 3.7319 8.4017 122.8402 55.3267 17.9793 179.9530 103 A 3.8585 7.7963 118.3713 55.7580 18.3378 179.5446 104 D 4.4077 7.9643 116.7353 57.2178 40.8314 179.0288 105 G 3.6229 8.1486 106.7688 47.9715 0.0000 175.3288 106 Y 4.7435 7.9717 119.2281 61.1369 37.9183 178.8827 107 I 3.9191 7.8548 119.9977 64.4330 37.2536 178.3365 108 A 4.3214 8.7536 121.8700 55.3364 18.2199 179.5827 109 A 4.0713 8.5895 119.3887 55.5234 18.5546 180.0529 110 T 3.8735 8.2272 114.0754 66.7252 68.5712 176.7655 111 A 4.0264 8.2262 122.6737 55.0671 18.4382 179.5939 112 K 3.9128 8.3231 118.2896 59.7361 32.0668 178.7558 113 Q 3.9661 8.1321 118.7889 58.7041 28.9605 177.0495 114 H 4.6329 7.7112 113.5559 54.2994 29.6174 174.6073 115 S 3.7338 7.6639 115.1742 59.9116 60.6135 171.7493 116 L 4.9445 8.0729 118.4331 53.4805 44.4777 177.0076 117 T 4.6227 8.6009 118.2035 62.3792 70.6017 174.2670 118 V 4.2900 8.6239 126.7948 62.2934 33.1439 174.3587 119 A 5.0940 8.7175 130.2234 50.9886 20.7625 175.6441 120 T 4.7581 8.3004 115.8221 61.4482 70.8426 174.5381 121 R 3.8306 9.1660 127.0818 58.2924 30.1939 176.3876 122 D 4.7020 7.4584 118.0921 53.0746 39.9003 176.6145 123 T 4.2293 8.1684 114.8896 63.3314 69.1354 176.1099 124 G 3.9461 8.3585 108.4947 49.0566 0.0000 175.4046 125 S 4.1861 7.8983 116.7756 60.8764 63.0765 176.9270 126 F 4.2081 7.8817 119.8684 60.1857 38.7193 177.6786 127 F 4.4485 8.3233 117.6593 60.5905 38.5252 177.5359 128 A 4.1731 7.8523 119.0441 54.4879 18.2589 178.6138 129 A 4.1915 7.6312 116.8068 51.7283 19.1664 176.7243 130 D 4.4339 8.0968 116.0967 55.5877 38.9847 173.7059 131 V 4.6171 7.4794 116.3310 60.5715 34.3891 175.2068 132 A 4.3167 8.5626 128.0307 52.6119 19.4217 176.7658 133 V 4.8636 8.1173 112.7692 59.9211 36.4088 174.4312 134 F 4.7371 9.3321 124.6665 56.7048 43.1760 172.7752 135 N 5.3507 7.9383 124.8348 50.2940 39.5645 173.3360 136 P 3.7096 0.0000 0.0000 63.8480 31.3676 177.3893 137 W 3.9277 8.6915 119.0804 58.4424 29.2174 175.5970 138 H 4.9369 7.6798 115.1299 53.7341 30.7073 174.6246 139 L 4.3564 8.3852 119.2334 55.2900 41.6282 177.1653 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 8.16 4.74 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 2 I 8.79 4.93 2.01 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.57 1.19 0.00 0.00 3 L 9.75 5.21 0.00 1.78 1.55 1.06 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.59 4.65 0.00 1.60 1.67 1.06 1.16 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 5 D 8.95 4.61 0.00 2.80 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 6 T 8.80 3.94 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 1.24 0.00 0.00 7 N 8.17 4.54 0.00 2.88 2.97 0.00 0.00 5.93 7.68 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 8 V 7.80 4.08 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 1.23 0.00 0.00 1.13 0.00 0.00 9 I 7.78 3.85 1.89 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.00 0.98 0.00 0.00 10 S 8.23 4.38 0.00 4.03 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 0.00 11 E 8.00 4.05 0.00 2.43 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 2.05 2.37 0.00 12 P 0.00 4.38 0.00 2.09 2.11 0.00 3.98 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 13 L 7.60 4.31 0.00 1.84 1.74 0.95 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 14 R 7.29 4.29 0.00 1.94 1.90 0.00 3.29 0.00 0.00 3.46 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.92 0.00 15 P 0.00 4.46 0.00 2.05 2.14 0.00 3.64 0.00 0.00 3.68 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 16 Q 7.58 4.56 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.00 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 17 P 0.00 4.51 0.00 2.16 2.27 0.00 3.77 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 1.98 1.96 0.00 18 N 9.32 4.38 0.00 2.78 2.34 0.00 0.00 7.38 7.21 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 19 E 8.85 3.95 0.00 2.07 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 2.40 2.42 0.00 20 R 8.11 3.84 0.00 1.84 2.03 0.00 3.15 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 21 V 7.46 3.43 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 0.71 0.00 0.00 -0.66 0.00 0.00 22 V 7.60 3.54 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 0.94 0.00 0.00 0.94 0.00 0.00 23 A 7.98 4.00 1.40 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 0.00 0.00 24 W 8.31 4.25 0.00 3.59 3.49 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 0.00 0.00 0.00 0.00 25 L 8.31 3.60 0.00 1.92 1.67 1.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.87 4.41 0.00 2.79 2.67 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 27 S 7.36 4.31 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 28 L 6.48 3.99 0.00 1.39 1.37 0.20 0.47 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 29 I 7.88 4.04 1.94 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 1.24 0.41 0.90 0.00 0.00 30 L 8.70 3.72 0.00 1.54 1.52 0.42 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.05 3.77 0.00 1.90 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 2.25 2.31 0.00 32 D 8.14 4.82 0.00 2.82 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 33 V 7.56 4.94 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 1.01 0.00 0.00 0.92 0.00 0.00 34 Y 9.61 5.10 0.00 3.05 2.87 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 35 L 8.71 5.09 0.00 1.38 1.33 0.09 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.63 4.74 0.00 3.95 3.79 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 A 8.94 4.10 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 38 I 8.01 3.67 1.96 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.10 1.01 0.00 0.00 39 T 7.87 3.93 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 1.23 0.00 0.00 40 V 7.83 3.56 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 1.09 0.00 0.00 0.94 0.00 0.00 41 A 8.15 3.98 1.40 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 0.00 0.00 42 E 8.30 3.94 0.00 2.17 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 2.35 2.69 0.00 43 L 8.33 3.98 0.00 1.80 1.71 0.88 0.79 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 44 R 8.25 3.97 0.00 2.04 1.99 0.00 3.13 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 45 L 8.28 4.07 0.00 1.84 1.87 0.93 0.92 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 46 G 8.04 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 47 V 7.91 3.75 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 1.04 0.00 0.00 0.97 0.00 0.00 48 A 8.01 4.18 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 49 L 7.22 4.43 0.00 1.63 1.71 0.96 1.27 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 50 L 7.20 4.14 0.00 1.69 1.62 0.94 0.76 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 51 L 8.45 4.03 0.00 1.64 1.73 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.02 4.76 0.00 2.75 2.72 0.00 0.00 7.10 7.90 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 53 G 8.64 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.07 3.95 0.00 1.94 1.88 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.45 7.81 55 K 8.94 3.91 0.00 1.82 1.97 0.00 1.54 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.51 7.81 56 K 8.28 3.91 0.00 1.93 1.96 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.71 7.81 57 N 8.26 4.32 0.00 3.01 2.86 0.00 0.00 6.71 7.29 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 58 V 7.79 3.56 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 1.01 0.00 0.00 0.94 0.00 0.00 59 L 8.38 3.99 0.00 1.85 1.75 0.94 0.85 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 60 H 8.60 4.08 0.00 3.29 3.50 0.00 5.65 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 61 E 8.17 3.94 0.00 2.19 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 2.32 2.41 0.00 62 R 8.15 3.93 0.00 1.88 1.97 0.00 3.35 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 63 L 8.37 3.94 0.00 1.78 1.80 0.93 0.99 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 64 E 8.06 3.94 0.00 1.91 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 2.26 2.27 0.00 65 Q 8.30 4.40 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.73 0.00 66 S 7.87 4.56 0.00 4.01 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 67 I 8.15 4.05 2.07 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 1.58 0.87 1.06 0.00 0.00 68 L 8.34 4.23 0.00 1.70 1.79 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.40 0.00 2.14 2.09 0.00 3.68 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 70 L 7.87 3.96 0.00 1.24 1.11 0.85 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.13 4.59 0.00 3.20 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 72 A 7.48 4.14 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 73 G 9.13 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 0.00 0.00 0.00 74 R 8.44 4.83 0.00 1.70 1.38 0.00 2.21 0.00 0.00 2.87 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.58 0.00 75 I 8.07 4.81 1.92 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 1.37 0.82 0.93 0.00 0.00 76 L 9.19 4.49 0.00 1.59 1.59 0.72 0.69 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 77 P 0.00 4.76 0.00 2.09 2.07 0.00 3.79 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 2.00 1.98 0.00 78 F 8.73 4.36 0.00 2.90 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 79 D 7.56 5.06 0.00 2.84 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 80 E 8.79 3.83 0.00 1.99 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 2.36 2.35 0.00 81 P 0.00 4.20 0.00 2.10 2.01 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 82 V 7.66 3.44 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 0.85 0.00 0.00 0.86 0.00 0.00 83 A 7.61 4.02 1.40 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 0.00 0.00 84 A 7.81 3.98 1.38 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 0.00 0.00 85 I 7.57 3.88 2.04 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 1.40 0.79 0.95 0.00 0.00 86 Y 8.54 4.19 0.00 3.50 3.46 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 87 A 8.27 3.93 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.02 3.96 0.00 2.32 2.16 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 2.40 2.71 0.00 89 I 7.99 3.69 1.82 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 1.50 0.91 0.87 0.00 0.00 90 R 7.92 3.83 0.00 1.47 1.71 0.00 2.75 0.00 0.00 2.52 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.81 0.00 91 S 8.14 4.09 0.00 4.06 4.16 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 92 Y 8.19 3.91 0.00 3.21 3.10 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 0.00 0.00 0.00 93 A 8.14 4.11 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 94 K 8.08 3.86 0.00 2.07 1.77 0.00 1.48 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.45 7.81 95 T 8.05 4.25 4.10 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 0.00 0.00 1.23 0.00 0.00 96 H 7.09 4.57 0.00 3.02 3.18 0.00 5.99 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 97 G 7.81 3.91 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 0.00 98 K 8.40 4.54 0.00 1.80 1.75 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.54 7.81 99 E 8.48 4.59 0.00 1.99 1.89 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 2.15 2.25 0.00 100 I 7.99 4.26 1.74 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 1.34 0.54 0.71 0.00 0.00 101 A 8.29 4.21 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 0.00 102 A 8.40 3.73 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 0.00 0.00 0.00 0.00 0.00 103 A 7.80 3.86 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 0.00 104 D 7.96 4.41 0.00 2.58 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 0.00 0.00 0.00 0.00 105 G 8.15 3.62 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 0.00 106 Y 7.97 4.74 0.00 3.19 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 0.00 107 I 7.85 3.92 2.38 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.27 1.08 0.00 0.00 108 A 8.75 4.32 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 0.00 109 A 8.59 4.07 1.70 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 0.00 0.00 0.00 0.00 0.00 0.00 110 T 8.23 3.87 4.54 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 1.31 0.00 0.00 111 A 8.23 4.03 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 0.00 112 K 8.32 3.91 0.00 1.88 1.85 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.45 7.81 113 Q 8.13 3.97 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 114 H 7.71 4.63 0.00 3.07 3.08 0.00 5.86 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.66 3.73 0.00 3.99 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 0.00 116 L 8.07 4.94 0.00 1.47 1.59 0.71 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.60 4.62 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 1.29 0.00 0.00 118 V 8.62 4.29 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 -0.05 0.00 0.00 0.82 0.00 0.00 119 A 8.72 5.09 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.30 4.76 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 0.86 0.00 0.00 121 R 9.17 3.83 0.00 1.02 1.50 0.00 2.21 0.00 0.00 2.55 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.50 0.00 122 D 7.46 4.70 0.00 2.75 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 0.00 123 T 8.17 4.23 3.65 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 1.07 0.00 0.00 124 G 8.36 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 0.00 125 S 7.90 4.19 0.00 3.24 3.58 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 0.00 126 F 7.88 4.21 0.00 3.07 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 0.00 127 F 8.32 4.45 0.00 3.35 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 0.00 128 A 7.85 4.17 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 0.00 129 A 7.63 4.19 1.35 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 0.00 130 D 8.10 4.43 0.00 2.80 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 0.00 131 V 7.48 4.62 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 0.82 0.00 0.00 1.13 0.00 0.00 132 A 8.56 4.32 1.29 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 0.00 0.00 0.00 133 V 8.12 4.86 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 0.50 0.00 0.00 0.21 0.00 0.00 134 F 9.33 4.74 0.00 2.98 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 0.00 135 N 7.94 5.35 0.00 2.62 2.48 0.00 0.00 7.43 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 0.00 136 P 0.00 3.71 0.00 1.89 1.15 0.00 3.69 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.80 0.00 137 W 8.69 3.93 0.00 3.43 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 0.00 138 H 7.68 4.94 0.00 3.13 3.17 0.00 5.65 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 L 8.39 4.36 0.00 1.71 1.66 0.97 0.87 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