NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1957 8.3031 124.0399 54.9225 33.7018 174.5757 3 G 3.6416 8.3706 104.2256 46.4310 0.0000 172.3148 4 D 4.3818 8.8983 121.8513 54.5094 42.2120 175.5200 5 K 3.8472 9.0527 126.4606 59.9039 32.1430 178.8907 6 K 3.9670 8.0844 118.0812 59.0886 32.0084 179.4296 7 V 3.5352 8.1359 118.6609 66.1076 31.4294 177.9946 8 I 3.7285 7.7061 119.5164 64.6547 36.9104 178.3837 9 Q 3.9517 8.1219 118.6574 59.2004 28.4497 178.6179 10 H 4.1008 8.1864 117.1324 58.9071 28.6982 177.7601 11 L 3.9944 8.3884 121.1121 58.0681 41.4139 179.4596 12 N 4.3235 8.4844 116.5497 56.0162 38.4076 177.4629 13 K 3.9709 8.0241 121.2793 59.4659 32.2342 179.0295 14 I 3.7204 8.0051 120.3193 64.1781 36.9319 178.0169 15 L 4.0314 8.2864 121.6446 58.2017 41.7630 179.0726 16 G 3.7277 8.3876 105.9514 48.1871 0.0000 175.3505 17 N 4.3701 8.1657 118.6971 55.8708 38.4777 177.2146 18 E 3.9362 8.5084 120.4675 59.6796 29.4969 179.5671 19 L 3.9586 8.2141 119.0286 57.6075 41.6147 179.6382 20 I 3.6292 7.4984 119.6835 64.3284 37.1278 178.1659 21 A 3.2248 7.6441 121.3157 54.9373 18.1271 179.3493 22 I 3.5517 7.7800 118.5527 65.0193 37.2629 178.4235 23 N 4.3904 7.7820 116.9832 56.2138 38.3730 177.4813 24 Q 3.8927 8.4922 121.4003 59.4212 29.1283 177.8326 25 Y 4.6992 8.3669 118.2147 60.9845 37.9086 178.0525 26 F 4.0203 8.5308 121.8598 61.0863 39.4458 176.9455 27 L 4.0099 8.1444 120.0631 58.6284 41.8034 178.7561 28 H 3.9476 8.2790 116.1297 58.5550 28.4655 177.5859 29 S 4.4011 8.3548 115.1923 61.8513 62.2511 176.6633 30 R 3.8613 7.9289 120.4286 59.1165 29.8705 178.9179 31 M 3.4766 8.0907 119.1102 57.8922 31.7760 178.8235 32 W 4.5676 8.1424 119.2383 59.8845 29.2470 178.1611 33 N 4.3433 8.5729 116.8621 56.6098 37.8039 176.7239 34 D 4.3895 7.8017 117.8351 57.0772 41.3027 177.6250 35 W 4.8857 7.8407 115.9265 56.5133 29.3126 177.0588 36 G 3.9828 8.3872 107.6240 46.1607 0.0000 175.3047 37 L 4.5799 8.0208 122.2878 53.4280 40.2848 177.5300 38 K 4.1361 8.5668 121.8063 58.7076 32.5115 179.1064 39 R 3.8438 7.8509 119.0798 59.3998 30.0147 178.2836 40 L 3.8145 7.8926 118.4607 57.6885 41.3356 179.7355 41 G 3.7135 8.0161 105.2527 47.9028 0.0000 175.7162 42 A 4.0488 8.1387 123.7908 54.9139 18.3889 179.2871 43 H 3.9221 8.2008 116.7307 59.3464 29.9098 177.1160 44 E 4.0053 8.4962 121.3165 59.4081 29.4608 178.0166 45 Y 4.0635 8.4575 119.9795 61.0047 38.8182 177.7278 46 H 3.9479 8.3462 119.0429 59.2042 29.5827 177.0835 47 E 3.7691 8.1888 120.3648 59.3188 29.2731 178.9572 48 S 4.2862 8.3004 113.3347 61.8363 62.3978 176.5174 49 I 3.5745 7.4822 122.0673 64.3930 36.7865 177.8346 50 D 4.2858 7.8633 119.7243 57.7818 40.5697 179.0399 51 E 4.1125 7.8144 118.0494 59.1447 29.5466 179.0497 52 M 4.0242 7.9423 118.9737 58.3731 32.0722 178.9473 53 K 4.0046 8.1140 118.5992 59.5761 32.1793 179.0787 54 H 4.2320 8.3105 116.4077 58.8481 28.6514 177.5642 55 A 3.9731 8.2870 122.6998 55.1597 18.2048 178.9390 56 D 4.2631 8.1774 116.4887 57.7351 41.2634 178.8343 57 K 3.9980 7.9862 118.5701 59.4148 31.9160 179.4440 58 L 4.0192 8.0297 119.3523 57.7398 41.5417 179.5085 59 I 3.7024 8.3798 120.0897 64.4178 37.0781 178.2203 60 E 3.9839 8.3231 119.3766 59.4830 29.3412 179.4835 61 R 4.0130 8.1826 118.6074 59.5826 30.1378 178.6268 62 I 3.7655 8.0966 119.8895 64.4187 37.1098 178.5067 63 L 4.0083 8.0753 119.9300 57.6414 41.2214 179.2065 64 F 4.2833 8.1739 119.8349 61.1725 39.5998 176.3608 65 L 3.9707 7.9766 116.1284 54.1566 41.2835 176.8219 66 E 3.8789 7.9673 117.5164 57.5631 27.0600 174.5417 67 G 3.9275 7.9779 107.1632 44.0312 0.0000 173.9577 68 L 4.5204 7.9687 118.9240 51.8976 42.0905 175.1341 69 P 4.3357 0.0000 0.0000 62.6274 31.7215 176.0000 70 N 4.6835 9.2588 122.5782 52.4700 38.5612 174.0576 71 L 4.6249 8.3044 124.1745 54.5224 42.5793 177.4267 72 Q 4.0675 8.3802 121.6768 57.9444 29.3337 175.6194 73 D 4.5942 8.1420 117.9605 52.8884 41.2577 175.2566 74 L 4.5803 8.3501 126.6656 52.9013 43.8940 176.6392 75 G 3.8283 8.3045 117.0733 44.7235 0.0000 171.4865 76 K 4.1291 8.4314 122.1584 55.5990 32.3559 177.6137 77 L 4.0820 8.3933 127.0381 54.5793 42.1936 177.0515 78 L 4.4560 8.6801 123.9770 53.3428 41.1595 175.3982 79 I 4.3499 8.0813 124.4268 59.3542 38.4297 176.6722 80 G 4.0132 8.7353 114.8414 44.8278 0.0000 172.7128 81 E 4.7202 8.5920 115.5500 55.7278 30.8406 175.5790 82 N 4.9791 7.6280 116.8106 50.7589 41.8790 174.7872 83 T 4.2856 8.4476 113.7986 65.4582 67.4499 175.4960 84 Q 3.9616 8.2006 121.0716 59.3067 29.0350 178.1496 85 E 3.9956 8.7222 119.5694 59.6515 29.5873 179.1015 86 M 3.9165 8.4048 119.1164 58.4321 31.9263 178.9085 87 L 4.1618 8.3703 119.2350 57.7978 41.7427 179.2985 88 Q 4.0056 8.1949 119.6408 59.2981 28.9636 177.9996 89 C 4.1854 8.5894 118.2722 62.9962 28.1128 175.8880 90 D 4.6683 8.2322 120.3439 57.3425 40.3700 178.6156 91 L 4.0155 8.0816 120.9078 58.2290 42.1228 178.6472 92 N 4.3423 8.4702 116.6810 56.3400 38.4891 177.1626 93 L 4.0265 8.1032 121.6893 58.2026 42.1670 178.8640 94 E 4.1237 8.6287 118.7969 59.4389 29.5248 179.3492 95 L 4.0236 8.2763 119.2564 57.5576 41.7469 179.3875 96 K 3.9472 8.1563 119.4636 59.4920 32.1383 178.7803 97 A 4.0420 8.0729 121.0633 55.3180 18.2263 179.7027 98 T 3.8213 8.1520 114.4245 66.5865 68.5765 176.5524 99 K 3.8817 7.9084 121.0544 59.8682 32.1498 178.4009 100 D 4.4310 8.0242 118.7174 57.3801 40.6335 178.9225 101 L 3.9877 8.0816 119.4145 57.9412 41.6268 179.7806 102 R 3.9287 8.3513 118.3439 59.3114 29.9607 179.0494 103 E 3.9676 8.1706 117.8122 59.1864 29.4479 179.1582 104 A 3.5646 8.2913 121.2908 54.9018 18.3674 179.8727 105 I 3.6151 7.9619 118.4437 64.4847 37.2665 178.4142 106 V 3.5441 7.7967 119.2917 66.7056 31.2191 177.6204 107 H 4.2317 8.0136 117.0441 59.3077 29.6782 176.7992 108 C 4.0016 8.1976 118.6950 62.7884 27.9579 175.6994 109 E 3.8972 8.1225 120.6290 59.5328 29.0431 178.8280 110 Q 3.9768 7.7176 116.4639 58.4849 28.7617 178.5217 111 V 4.0089 7.2014 110.3090 60.7702 31.9852 175.9736 112 H 3.0607 7.2517 113.5047 56.7996 26.9765 176.4125 113 D 4.5177 7.4553 121.6328 53.6237 38.4145 176.0761 114 Y 4.3563 7.5589 121.2567 60.0335 38.4737 177.4126 115 V 3.7058 7.8456 119.3977 66.0369 31.6692 178.0692 116 S 4.1916 8.5021 115.0689 61.2420 62.5284 176.4845 117 R 3.8702 7.9507 121.4196 59.5345 29.8471 177.8505 118 D 4.3450 8.1619 117.6665 57.4760 41.2064 178.0786 119 L 3.9610 7.9746 120.6048 58.2295 42.0319 178.9852 120 L 4.0350 8.2739 119.2434 57.6372 41.4595 179.6447 121 K 3.9978 8.4727 118.9747 59.4489 32.0248 179.1083 122 D 4.3482 8.1089 119.2428 57.4950 40.6509 178.9496 123 I 3.5338 7.8196 120.2851 64.0312 37.0299 178.3110 124 L 3.8997 8.0052 121.3620 58.0548 41.9837 178.3144 125 E 3.9123 8.3036 119.4780 59.6798 29.4731 178.9483 126 S 4.0868 8.0188 112.7059 61.3742 62.3769 175.9207 127 E 4.0746 8.4956 121.6724 59.3908 29.1169 179.1274 128 E 3.9986 8.7159 119.1133 59.5178 29.4734 179.2354 129 E 4.0301 8.3651 118.5846 59.7032 29.4211 179.1874 130 H 4.4110 8.1995 116.3339 58.8914 28.7248 177.8418 131 I 3.7491 8.1972 121.9891 64.3877 36.8832 177.8250 132 D 4.3167 8.3103 118.8512 57.5458 41.0884 177.3738 133 Y 4.1754 8.1978 119.9744 60.9717 38.7137 178.4105 134 L 3.5756 8.1449 119.4870 57.6771 41.6885 179.2989 135 E 3.8736 8.4246 118.8480 59.7644 29.3631 179.3889 136 T 3.8031 8.0362 115.9157 66.9295 68.4655 176.5824 137 Q 3.7638 7.7388 119.5706 58.8580 28.6902 178.8493 138 L 3.8647 7.7581 120.1759 57.5564 41.6187 179.7877 139 G 3.6537 8.2981 106.1311 47.8004 0.0000 175.8064 140 L 4.0680 7.9463 121.4209 57.3664 41.7541 179.3525 141 I 3.5476 7.5232 120.0478 64.5667 36.7176 178.3887 142 Q 4.0129 7.3014 116.4692 58.6674 28.6755 178.3386 143 K 4.1722 7.9061 118.7249 58.4485 32.3267 178.8109 144 V 4.2559 8.3272 109.8961 59.7625 33.1909 176.6647 145 G 4.0528 7.7311 106.1958 45.8186 0.0000 174.2557 146 L 3.9277 8.6461 123.3099 58.2180 42.0039 179.5174 147 E 3.9769 8.1057 117.6643 59.5984 29.6659 178.9063 148 N 4.3561 8.1586 116.0109 56.3329 38.3959 176.5346 149 Y 3.9997 7.8007 119.9683 60.8193 39.2272 178.0838 150 L 4.0599 8.1395 119.7567 57.7595 41.6208 178.9329 151 Q 3.9218 8.4251 119.9661 59.5449 28.6874 178.5484 152 S 4.3319 7.5649 112.7293 59.7095 63.4053 174.4636 153 H 4.6626 7.5457 118.6323 55.7055 29.4305 176.1818 154 M 4.0961 7.9723 121.7259 58.3910 31.9202 175.9547 155 H 5.1927 7.6214 113.9680 53.8481 31.0437 174.6928 156 E 4.1348 8.6811 121.3797 56.7637 29.3645 176.7715 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 K 8.30 4.20 0.00 1.56 1.72 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.03 7.81 3 G 8.37 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.90 4.38 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 5 K 9.05 3.85 0.00 1.83 1.78 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.52 7.81 6 K 8.08 3.97 0.00 1.96 1.63 0.00 1.82 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.48 7.81 7 V 8.14 3.54 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 1.02 0.00 0.00 0.96 0.00 0.00 8 I 7.71 3.73 1.99 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 1.51 0.58 0.89 0.00 0.00 9 Q 8.12 3.95 0.00 2.26 2.06 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 2.34 2.44 0.00 10 H 8.19 4.10 0.00 3.33 3.31 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.39 3.99 0.00 1.80 1.73 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.48 4.32 0.00 2.91 2.85 0.00 0.00 6.67 8.52 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 13 K 8.02 3.97 0.00 1.82 1.98 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.14 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.48 7.81 14 I 8.01 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 1.42 0.68 0.92 0.00 0.00 15 L 8.29 4.03 0.00 1.81 1.84 0.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.39 3.73 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 0.00 0.00 0.00 17 N 8.17 4.37 0.00 2.96 2.88 0.00 0.00 7.03 7.48 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 18 E 8.51 3.94 0.00 2.14 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 0.00 2.58 2.54 0.00 19 L 8.21 3.96 0.00 1.63 1.67 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.50 3.63 1.95 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 1.41 0.75 0.87 0.00 0.00 21 A 7.64 3.22 1.01 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 22 I 7.78 3.55 1.94 0.00 0.00 0.82 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 1.01 0.86 0.00 0.00 23 N 7.78 4.39 0.00 2.82 2.83 0.00 0.00 6.76 7.39 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 24 Q 8.49 3.89 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.63 2.40 0.00 25 Y 8.37 4.70 0.00 3.06 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 26 F 8.53 4.02 0.00 3.29 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 27 L 8.14 4.01 0.00 1.83 1.73 0.88 1.01 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 28 H 8.28 3.95 0.00 3.32 2.72 0.00 5.70 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.35 4.40 0.00 4.06 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 30 R 7.93 3.86 0.00 2.00 1.87 0.00 2.90 0.00 0.00 2.41 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 31 M 8.09 3.48 0.00 0.83 1.63 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.14 0.00 32 W 8.14 4.57 0.00 3.74 3.32 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 33 N 8.57 4.34 0.00 2.85 2.86 0.00 0.00 6.68 7.87 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 34 D 7.80 4.39 0.00 2.57 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.84 4.89 0.00 3.79 3.13 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 0.00 0.00 0.00 0.00 36 G 8.39 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 0.00 0.00 0.00 37 L 8.02 4.58 0.00 2.14 1.63 1.23 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.57 4.14 0.00 2.00 1.86 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.47 7.81 39 R 7.85 3.84 0.00 1.88 1.89 0.00 3.22 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 1.58 1.63 0.00 40 L 7.89 3.81 0.00 1.34 0.25 0.50 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.02 3.71 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 0.00 0.00 0.00 42 A 8.14 4.05 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 43 H 8.20 3.92 0.00 3.19 3.21 0.00 5.60 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 44 E 8.50 4.01 0.00 2.54 2.41 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 2.79 2.70 0.00 45 Y 8.46 4.06 0.00 3.02 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 46 H 8.35 3.95 0.00 3.25 3.35 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.19 3.77 0.00 2.06 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 2.44 2.24 0.00 48 S 8.30 4.29 0.00 4.17 4.07 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 49 I 7.48 3.57 1.77 0.00 0.00 0.64 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 0.41 0.80 0.00 0.00 50 D 7.86 4.29 0.00 2.94 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 51 E 7.81 4.11 0.00 2.07 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 0.00 2.71 2.56 0.00 52 M 7.94 4.02 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.54 0.00 53 K 8.11 4.00 0.00 1.92 1.85 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.55 7.81 54 H 8.31 4.23 0.00 3.48 3.41 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.29 3.97 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 56 D 8.18 4.26 0.00 2.90 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 57 K 7.99 4.00 0.00 1.90 1.85 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.49 7.81 58 L 8.03 4.02 0.00 1.85 1.72 0.95 0.83 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 59 I 8.38 3.70 2.01 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 1.52 0.72 0.92 0.00 0.00 60 E 8.32 3.98 0.00 2.15 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 0.00 2.34 2.33 0.00 61 R 8.18 4.01 0.00 2.05 2.10 0.00 3.26 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 62 I 8.10 3.77 2.01 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 1.53 0.53 0.96 0.00 0.00 63 L 8.08 4.01 0.00 2.00 1.77 0.93 1.01 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 64 F 8.17 4.28 0.00 3.00 3.29 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 65 L 7.98 3.97 0.00 1.84 1.67 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.97 3.88 0.00 2.05 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 0.00 2.21 2.27 0.00 67 G 7.98 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 68 L 7.97 4.52 0.00 1.61 1.61 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.34 0.00 2.03 1.99 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 70 N 9.26 4.68 0.00 2.62 2.73 0.00 0.00 7.08 7.33 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 71 L 8.30 4.62 0.00 1.61 1.62 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.38 4.07 0.00 1.99 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.14 4.59 0.00 2.69 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 74 L 8.35 4.58 0.00 1.52 1.51 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.30 3.83 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 0.00 0.00 0.00 76 K 8.43 4.13 0.00 1.71 1.74 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.52 7.81 77 L 8.39 4.08 0.00 1.63 1.55 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.68 4.46 0.00 1.80 1.68 1.01 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.08 4.35 1.88 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.78 0.90 0.00 0.00 80 G 8.74 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 81 E 8.59 4.72 0.00 2.07 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 2.49 2.23 0.00 82 N 7.63 4.98 0.00 2.85 2.84 0.00 0.00 5.87 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 83 T 8.45 4.29 5.30 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 1.54 0.00 0.00 84 Q 8.20 3.96 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 85 E 8.72 4.00 0.00 2.37 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 0.00 2.34 2.36 0.00 86 M 8.40 3.92 0.00 1.26 2.10 0.00 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.08 0.00 87 L 8.37 4.16 0.00 1.71 1.71 0.84 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.19 4.01 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.59 4.19 0.00 3.30 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 90 D 8.23 4.67 0.00 2.95 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 91 L 8.08 4.02 0.00 1.88 1.87 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.47 4.34 0.00 2.96 2.90 0.00 0.00 6.69 7.08 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 93 L 8.10 4.03 0.00 2.01 1.99 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.63 4.12 0.00 2.25 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 2.75 2.65 0.00 95 L 8.28 4.02 0.00 1.72 1.74 0.95 0.49 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 96 K 8.16 3.95 0.00 1.92 2.04 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 97 A 8.07 4.04 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 98 T 8.15 3.82 4.48 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 1.23 0.00 0.00 99 K 7.91 3.88 0.00 1.88 2.07 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.51 7.81 100 D 8.02 4.43 0.00 2.93 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 0.00 101 L 8.08 3.99 0.00 2.07 1.76 0.92 0.82 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 0.00 102 R 8.35 3.93 0.00 1.97 1.98 0.00 3.13 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 1.66 1.81 0.00 103 E 8.17 3.97 0.00 2.18 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 2.34 2.48 0.00 104 A 8.29 3.56 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 0.00 105 I 7.96 3.62 2.07 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 1.41 0.57 0.92 0.00 0.00 106 V 7.80 3.54 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 0.97 0.00 0.00 0.97 0.00 0.00 107 H 8.01 4.23 0.00 3.33 3.29 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.20 4.00 0.00 3.14 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 0.00 109 E 8.12 3.90 0.00 2.24 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 0.00 2.37 2.48 0.00 110 Q 7.72 3.98 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.02 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 111 V 7.20 4.01 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 0.73 0.00 0.00 0.96 0.00 0.00 112 H 7.25 3.06 0.00 3.21 3.24 0.00 5.65 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.46 4.52 0.00 2.64 2.48 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 0.00 114 Y 7.56 4.36 0.00 3.10 2.95 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 0.00 115 V 7.85 3.71 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 1.09 0.00 0.00 1.00 0.00 0.00 116 S 8.50 4.19 0.00 3.97 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 0.00 117 R 7.95 3.87 0.00 1.96 2.22 0.00 3.26 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 118 D 8.16 4.35 0.00 3.06 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 0.00 119 L 7.97 3.96 0.00 1.78 1.82 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.27 4.03 0.00 1.86 1.69 0.91 1.23 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 0.00 121 K 8.47 4.00 0.00 2.04 1.86 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.35 7.81 122 D 8.11 4.35 0.00 2.87 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 0.00 123 I 7.82 3.53 1.94 0.00 0.00 0.82 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 0.73 0.82 0.00 0.00 124 L 8.01 3.90 0.00 1.83 1.84 0.93 0.71 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 0.00 125 E 8.30 3.91 0.00 2.16 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 0.00 2.32 2.35 0.00 126 S 8.02 4.09 0.00 3.99 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 0.00 127 E 8.50 4.07 0.00 2.03 2.22 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 2.55 2.53 0.00 128 E 8.72 4.00 0.00 2.17 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 2.35 2.47 0.00 129 E 8.37 4.03 0.00 2.17 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 2.36 2.48 0.00 130 H 8.20 4.41 0.00 3.58 3.42 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.20 3.75 2.08 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 1.47 0.92 0.94 0.00 0.00 132 D 8.31 4.32 0.00 2.91 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 0.00 133 Y 8.20 4.18 0.00 3.15 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 0.00 134 L 8.14 3.58 0.00 2.10 1.66 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.42 3.87 0.00 1.95 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 2.31 2.49 0.00 136 T 8.04 3.80 4.32 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 1.20 0.00 0.00 137 Q 7.74 3.76 0.00 1.80 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 1.32 2.01 0.00 138 L 7.76 3.86 0.00 1.82 1.61 0.83 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.30 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 0.00 0.00 0.00 0.00 140 L 7.95 4.07 0.00 1.80 1.86 1.03 0.81 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 0.00 141 I 7.52 3.55 1.77 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.05 0.80 0.00 0.00 142 Q 7.30 4.01 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 143 K 7.91 4.17 0.00 1.75 1.86 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.62 7.81 144 V 8.33 4.26 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 0.79 0.00 0.00 1.16 0.00 0.00 145 G 7.73 4.05 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 0.00 0.00 0.00 146 L 8.65 3.93 0.00 1.75 1.69 0.93 0.94 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 0.00 147 E 8.11 3.98 0.00 2.06 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 2.39 2.40 0.00 148 N 8.16 4.36 0.00 2.95 2.89 0.00 0.00 6.70 7.48 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 0.00 149 Y 7.80 4.00 0.00 3.05 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 0.00 150 L 8.14 4.06 0.00 1.91 1.71 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.43 3.92 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 152 S 7.56 4.33 0.00 3.84 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 0.00 153 H 7.55 4.66 0.00 2.92 3.12 0.00 5.81 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 7.97 4.10 0.00 1.76 2.06 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.46 0.00 155 H 7.62 5.19 0.00 3.09 3.15 0.00 5.72 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.68 4.13 0.00 1.95 1.84 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 2.30 2.29 0.00