NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3844 8.2893 120.3493 55.5095 32.0860 173.9413 2 N 4.5051 8.0500 120.8779 50.3667 37.9206 171.1929 3 E 3.9859 9.3228 125.3916 57.0518 29.1991 178.2491 4 L 4.4105 8.1249 124.3433 53.3643 40.6289 175.9944 5 E 4.5288 8.0097 123.2144 53.5532 32.1158 175.8238 6 G 3.7936 8.1457 112.5636 45.2195 0.0000 172.1995 7 Y 4.7588 9.0165 117.4722 56.1048 40.1604 176.8374 8 V 4.0916 8.5773 123.6015 63.3436 32.5529 177.5058 9 T 4.2197 8.1580 117.3157 66.0679 68.8865 175.0292 10 K 4.4003 7.9485 120.1444 56.5654 32.5294 177.1509 11 A 4.3090 8.1825 123.7008 53.5090 19.0633 182.0953 12 Q 3.4409 7.7634 111.8070 57.9472 31.6167 180.1453 13 S 4.0764 8.0277 110.9011 60.0445 63.1063 174.3391 14 F 4.2503 8.5996 119.6916 56.4179 39.9198 174.5171 15 R 4.5699 8.3887 121.7239 54.7279 32.1221 174.3664 16 F 5.7785 8.9794 122.9243 54.7262 43.8793 173.5645 17 A 4.7213 8.3111 120.1466 50.5216 22.4446 175.0073 18 I 4.8065 8.8546 122.8969 59.4556 40.3396 174.9894 19 V 4.5843 8.6826 125.7491 61.1913 34.2543 174.5940 20 V 5.3700 8.7463 120.6797 58.3715 35.2501 174.7057 21 A 5.0820 8.5022 125.7855 51.2822 19.5158 177.8628 22 R 4.2646 9.5444 122.5411 58.8143 30.6057 176.8432 23 F 4.0806 8.2323 120.0409 59.7248 39.8273 174.2058 24 N 4.3346 8.4492 123.6135 54.4050 36.2099 176.0278 25 E 4.5286 8.0341 121.5886 59.2983 29.3932 177.5993 26 F 3.9909 8.3551 118.7001 60.9829 39.4171 176.4344 27 V 4.1238 8.3826 117.2571 65.0908 32.0427 177.5502 28 T 3.8648 8.0150 109.0713 65.1512 68.2177 175.2917 29 R 4.0362 8.5370 121.9714 59.3877 29.9923 178.0970 30 R 3.8454 7.9839 116.7580 59.3560 30.1470 178.1716 31 L 3.8355 8.2266 120.1356 58.6299 41.9260 178.7402 32 M 3.8620 8.6508 117.9574 58.8356 32.1593 177.6467 33 E 4.0458 8.8167 119.1208 59.6291 29.5596 179.8952 34 G 3.4929 8.4394 105.4590 47.7033 0.0000 175.3148 35 A 3.6660 7.8115 124.0384 54.8629 18.4902 178.8291 36 L 4.0729 8.2356 118.7068 58.6582 41.9499 178.2936 37 D 4.4029 8.5868 117.6204 58.1369 41.1325 178.8152 38 T 3.8643 8.0708 116.0231 66.9198 68.2208 176.0749 39 F 4.3136 7.6019 117.9733 60.7575 39.2477 177.4717 40 K 4.1832 8.1650 117.2587 59.6801 31.7527 179.0619 41 K 3.8243 8.5931 118.6710 59.2849 32.6295 176.8752 42 Y 4.2975 8.7169 117.6421 58.4950 38.4474 176.0544 43 S 3.7514 8.2286 111.2344 58.8332 63.4733 172.8080 44 V 3.9876 7.8021 120.1683 62.0692 31.7473 175.7805 45 N 4.7188 8.3117 120.6690 53.6882 40.5723 174.1097 46 E 4.5029 9.0385 126.2222 56.4370 30.7223 174.5484 47 D 4.2908 8.8358 114.0114 59.7232 40.1400 173.9045 48 I 3.5678 6.4898 109.2122 58.4471 39.4947 174.4697 49 D 4.6543 8.7484 124.3691 54.0043 42.2617 175.4360 50 V 4.6461 8.3630 116.3588 59.5867 33.9497 175.0483 51 V 4.2892 8.8962 126.8862 60.9598 33.3134 174.4135 52 W 5.2427 8.8811 128.0942 55.8897 30.3551 176.1822 53 V 4.7185 9.0723 117.8520 58.8760 34.9589 174.8841 54 P 4.3577 0.0000 0.0000 65.4936 32.0612 176.4071 55 G 4.5619 8.1969 108.2216 42.4454 0.0000 173.0905 56 A 3.9289 8.6551 122.7235 55.3633 18.4842 179.4425 57 Y 3.9393 8.3306 116.0729 61.1780 38.6944 178.1390 58 E 4.1433 8.7278 119.3287 59.4626 29.5160 179.3676 59 L 3.9665 7.7728 118.9106 58.7745 41.7304 179.1116 60 G 3.6622 7.8410 100.8150 49.2988 0.0000 175.6192 61 V 3.6619 7.7360 112.0270 63.8933 32.1523 178.5559 62 T 3.8333 7.7555 114.6530 66.6955 68.3154 176.2262 63 A 3.8867 8.5631 122.6141 55.6620 18.4125 179.4252 64 Q 3.7879 8.4487 118.0905 59.9823 29.2169 178.7726 65 A 4.0122 8.8094 122.1802 54.5634 18.0651 179.1426 66 L 4.1168 8.2131 117.8962 57.8004 42.3677 180.2291 67 G 3.8129 8.8341 105.5290 47.9760 0.0000 176.0624 68 K 4.1892 8.1274 120.1745 58.3254 32.3487 178.9753 69 S 4.3529 8.4255 114.1964 58.6772 62.6445 175.1040 70 G 3.9412 7.8978 109.4908 46.3344 0.0000 174.7220 71 K 3.8086 7.8244 119.3519 58.1044 32.2299 176.8973 72 Y 4.7586 7.3984 114.2360 56.6022 40.3253 174.9056 73 H 4.8313 9.0984 118.2863 57.4121 30.0641 175.7684 74 A 4.9329 7.8533 118.0522 50.7424 22.7045 175.0668 75 I 4.8668 8.8239 115.8315 58.9314 40.6542 174.6685 76 V 4.6316 8.8085 125.9650 60.0967 33.8405 174.1623 77 C 5.1127 9.0840 122.9453 57.8858 30.5809 172.7959 78 L 5.5050 8.0692 123.5595 52.1140 44.8167 175.8049 79 G 4.2665 8.0582 107.3608 46.3153 0.0000 171.9308 80 A 5.1889 8.5647 121.4769 50.5072 22.1572 176.2386 81 V 4.2762 9.1542 123.2160 59.8984 33.5921 175.2315 82 V 4.2584 8.4627 119.5140 60.6262 32.5725 177.7235 83 K 3.5670 8.4964 127.3281 56.7502 29.0881 176.9782 84 G 3.7938 8.5428 113.1950 47.2727 0.0000 171.5925 85 D 4.6319 7.8923 116.8693 54.5758 43.1908 177.7005 86 T 4.2664 8.5564 115.6180 61.3612 70.7657 176.0509 87 S 4.9438 8.5376 116.8841 60.0178 62.6278 175.2036 88 H 3.8842 7.9626 123.0568 60.1657 29.4334 175.3004 89 Y 4.1636 8.1953 120.4023 61.4119 38.5352 177.7187 90 D 4.1949 8.4615 118.1778 57.9482 41.0945 178.6234 91 A 3.8721 8.2582 120.2038 56.0330 18.2706 179.4362 92 V 3.6116 8.4062 115.6823 65.9501 31.5798 178.3150 93 V 3.4726 8.0987 117.9109 66.4204 31.2343 177.8373 94 N 4.2415 8.8287 116.3459 56.3427 38.3500 177.2180 95 S 3.9599 8.1497 116.0484 62.1706 63.0065 176.3545 96 A 3.9334 8.7101 123.6296 55.3596 17.9614 179.1161 97 S 4.2794 8.7473 110.1914 61.7863 62.5125 176.5931 98 S 4.1112 8.9468 116.2420 61.6109 62.0869 176.2308 99 G 3.6320 8.5514 108.5143 48.1486 0.0000 175.3661 100 V 3.6443 7.9503 121.1446 65.8471 31.4398 177.3837 101 L 3.9345 8.1996 119.9288 57.7261 41.7870 178.7430 102 S 4.0794 8.7581 114.8204 62.0796 63.0256 176.5059 103 A 4.1207 8.6593 123.2180 55.3537 17.9635 179.4940 104 G 4.3191 8.3221 102.9169 47.8121 0.0000 175.4456 105 L 4.0275 7.8302 120.1630 57.5934 41.8037 179.0979 106 N 4.5102 8.6543 115.6343 56.4084 38.6184 177.3996 107 S 4.3858 8.7566 114.6242 59.0050 63.3572 175.4059 108 G 3.9743 8.1182 109.4762 45.6321 0.0000 172.8154 109 V 4.5355 7.8205 120.1374 59.8433 34.3274 173.1960 110 P 4.4898 0.0000 0.0000 63.2398 32.3130 174.7922 111 C 5.2360 8.5871 122.3653 57.8822 30.6229 173.8221 112 V 3.7369 8.8644 125.9420 62.5391 32.3059 175.3963 113 F 4.4905 8.9984 131.5775 56.4839 37.9132 175.5159 114 G 4.1825 8.7266 118.6950 44.1302 0.0000 170.7418 115 V 4.8043 6.4046 116.9547 59.5596 34.4118 177.3100 116 L 4.4082 8.8790 125.8020 54.2214 42.8908 177.1998 117 T 5.3647 7.9554 112.4084 60.3905 68.2962 173.1827 118 C 4.3070 8.1867 119.2978 60.5101 30.1910 174.5978 119 D 4.4969 9.0039 120.0231 56.0629 39.5962 176.8434 120 N 4.7333 9.6377 116.4331 51.8607 39.4548 175.8118 121 M 3.9818 8.8097 119.4549 59.1750 32.1123 177.7820 122 D 4.3626 8.2180 117.3065 57.7684 41.0197 178.1279 123 Q 3.9849 8.7544 116.8236 59.0083 29.0109 178.6547 124 A 4.1651 7.7042 120.4631 55.5376 18.3573 179.4321 125 I 3.7547 8.0419 118.2515 65.1700 37.1515 178.3049 126 N 4.4124 8.2027 116.9188 56.2184 38.3947 177.5107 127 R 4.0074 8.5926 119.1851 57.5340 30.8592 176.8376 128 A 4.4653 7.5665 123.7557 51.4862 18.3451 177.5302 129 G 3.9195 9.0180 106.3128 45.8219 0.0000 173.9798 130 G 4.2116 7.8755 111.1353 44.0480 0.0000 175.4172 131 K 4.1908 8.2826 120.1754 58.1635 32.5145 177.2162 132 A 4.4942 7.9981 121.4393 51.8006 20.1631 178.5042 133 G 3.7547 8.8948 104.8239 45.3835 0.0000 173.2334 134 N 5.7613 8.1353 119.8879 50.1968 41.4383 175.4591 135 K 4.1651 8.1820 131.3334 58.9986 32.2985 177.9548 136 G 3.7589 8.2455 104.9058 48.0958 0.0000 174.8037 137 A 3.7738 8.3947 123.2615 54.5882 17.9575 179.2853 138 E 3.7342 7.9976 116.7040 59.8543 29.3915 179.8764 139 S 3.9932 8.6039 115.0471 61.4776 62.8091 176.4765 140 A 3.4223 7.5566 123.1894 54.8746 17.9237 179.0401 141 L 3.3463 7.4412 118.5198 58.6903 42.0242 179.4482 142 T 3.6780 7.9985 115.3464 66.4104 68.2905 176.1018 143 A 3.8964 8.0477 123.0048 55.8499 18.2557 179.1161 144 I 3.6443 7.5760 117.7313 64.7289 37.1339 177.7440 145 E 3.8309 8.4241 119.4043 59.9572 29.4426 179.4359 146 M 3.8518 8.4569 118.2939 58.3907 31.7938 178.1366 147 A 3.8458 7.9121 119.7224 55.2974 18.7834 178.9095 148 S 4.2219 7.8935 110.8136 61.6175 62.3874 176.2379 149 L 4.0112 8.3385 122.9918 58.6619 41.7797 179.0455 150 F 4.4518 8.8186 117.4368 59.2002 39.8448 174.7055 151 E 5.1496 8.0287 118.2736 52.7648 28.7314 173.9574 152 H 4.9364 7.8594 129.7852 56.9289 32.0489 174.7226 153 H 4.4673 8.9263 113.6894 57.2887 28.9879 174.9678 154 L 3.9763 7.2867 120.9706 53.0996 41.9455 173.9932 155 K 4.1223 7.5250 120.9333 56.8080 32.7170 175.9728 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 8.29 4.38 0.00 1.98 2.09 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 2.48 2.60 0.00 2 N 8.05 4.51 0.00 2.90 2.78 0.00 0.00 6.33 6.77 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 3 E 9.32 3.99 0.00 1.97 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 2.33 0.00 4 L 8.12 4.41 0.00 1.68 1.82 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.01 4.53 0.00 1.79 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 2.03 2.17 0.00 6 G 8.15 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 0.00 0.00 0.00 7 Y 9.02 4.76 0.00 2.99 2.88 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 8 V 8.58 4.09 2.14 0.00 0.00 0.00 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 0.90 0.00 0.00 9 T 8.16 4.22 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 1.25 0.00 0.00 10 K 7.95 4.40 0.00 1.95 1.88 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.35 0.00 0.00 3.61 0.00 0.00 0.00 0.00 1.61 1.86 7.81 11 A 8.18 4.31 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 12 Q 7.76 3.44 0.00 2.32 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 13 S 8.03 4.08 0.00 3.62 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 14 F 8.60 4.25 0.00 2.64 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 0.00 0.00 0.00 0.00 15 R 8.39 4.57 0.00 1.82 1.69 0.00 3.11 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.75 0.00 16 F 8.98 5.78 0.00 2.50 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 17 A 8.31 4.72 0.19 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 18 I 8.85 4.81 1.74 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.90 0.74 0.00 0.00 19 V 8.68 4.58 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 0.94 0.00 0.00 0.82 0.00 0.00 20 V 8.75 5.37 1.73 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 0.39 0.00 0.00 -0.56 0.00 0.00 21 A 8.50 5.08 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 22 R 9.54 4.26 0.00 1.95 2.14 0.00 3.04 0.00 0.00 2.93 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.32 0.00 23 F 8.23 4.08 0.00 3.33 2.98 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 24 N 8.45 4.33 0.00 3.26 3.07 0.00 0.00 6.73 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 25 E 8.03 4.53 0.00 2.32 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 2.37 2.29 0.00 26 F 8.36 3.99 0.00 3.11 3.16 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 27 V 8.38 4.12 2.29 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 1.08 0.00 0.00 1.15 0.00 0.00 28 T 8.01 3.86 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 1.36 0.00 0.00 29 R 8.54 4.04 0.00 2.17 1.99 0.00 3.39 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 30 R 7.98 3.85 0.00 2.08 1.94 0.00 3.26 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.51 0.00 31 L 8.23 3.84 0.00 1.87 1.72 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 M 8.65 3.86 0.00 2.11 1.80 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.59 0.00 33 E 8.82 4.05 0.00 2.17 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 2.36 2.59 0.00 34 G 8.44 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 0.00 0.00 0.00 35 A 7.81 3.67 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 36 L 8.24 4.07 0.00 2.00 1.71 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.59 4.40 0.00 2.80 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 38 T 8.07 3.86 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 0.77 0.00 0.00 39 F 7.60 4.31 0.00 3.35 3.06 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 40 K 8.17 4.18 0.00 2.02 1.94 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.72 1.67 7.81 41 K 8.59 3.82 0.00 1.93 2.31 0.00 1.96 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.50 7.81 42 Y 8.72 4.30 0.00 3.31 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 43 S 8.23 3.75 0.00 4.12 4.02 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 0.00 0.00 0.00 44 V 7.80 3.99 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 0.89 0.00 0.00 1.30 0.00 0.00 45 N 8.31 4.72 0.00 2.75 2.75 0.00 0.00 6.94 7.53 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 46 E 9.04 4.50 0.00 1.93 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 2.14 2.24 0.00 47 D 8.84 4.29 0.00 2.78 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 48 I 6.49 3.57 1.71 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 1.40 1.54 0.52 0.00 0.00 49 D 8.75 4.65 0.00 2.62 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 50 V 8.36 4.65 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 0.60 0.00 0.00 0.91 0.00 0.00 51 V 8.90 4.29 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 1.08 0.00 0.00 0.86 0.00 0.00 52 W 8.88 5.24 0.00 3.23 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 53 V 9.07 4.72 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 0.81 0.00 0.00 1.05 0.00 0.00 54 P 0.00 4.36 0.00 2.21 2.37 0.00 3.72 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 2.32 2.05 0.00 55 G 8.20 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 0.00 0.00 0.00 0.00 56 A 8.66 3.93 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 57 Y 8.33 3.94 0.00 3.00 2.98 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 58 E 8.73 4.14 0.00 2.40 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 2.42 2.50 0.00 59 L 7.77 3.97 0.00 1.75 1.68 0.78 0.66 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 60 G 7.84 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.74 3.66 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 0.82 0.00 0.00 1.05 0.00 0.00 62 T 7.76 3.83 4.38 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 1.21 0.00 0.00 63 A 8.56 3.89 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 64 Q 8.45 3.79 0.00 2.20 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 65 A 8.81 4.01 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 66 L 8.21 4.12 0.00 1.74 1.70 0.71 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.83 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 0.00 0.00 0.00 68 K 8.13 4.19 0.00 1.96 1.92 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.48 7.81 69 S 8.43 4.35 0.00 4.07 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 70 G 7.90 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 0.00 0.00 0.00 71 K 7.82 3.81 0.00 0.79 1.22 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 1.39 7.81 72 Y 7.40 4.76 0.00 2.94 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 73 H 9.10 4.83 0.00 2.83 3.45 0.00 5.89 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.85 4.93 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 75 I 8.82 4.87 1.79 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 1.27 1.40 0.77 0.00 0.00 76 V 8.81 4.63 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 0.99 0.00 0.00 0.83 0.00 0.00 77 C 9.08 5.11 0.00 2.68 2.75 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 78 L 8.07 5.51 0.00 1.39 1.40 0.79 0.75 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 79 G 8.06 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 0.00 0.00 0.00 0.00 80 A 8.56 5.19 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 81 V 9.15 4.28 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 0.78 0.00 0.00 0.88 0.00 0.00 82 V 8.46 4.26 2.31 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 0.76 0.00 0.00 1.06 0.00 0.00 83 K 8.50 3.57 0.00 0.79 1.34 0.00 0.87 0.00 0.00 1.52 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.08 0.63 7.81 84 G 8.54 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 0.00 0.00 0.00 85 D 7.89 4.63 0.00 2.63 2.40 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 86 T 8.56 4.27 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 1.24 0.00 0.00 87 S 8.54 4.94 0.00 4.29 4.21 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 88 H 7.96 3.88 0.00 3.24 3.43 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 8.20 4.16 0.00 3.14 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 90 D 8.46 4.19 0.00 2.91 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 91 A 8.26 3.87 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 92 V 8.41 3.61 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 0.94 0.00 0.00 1.03 0.00 0.00 93 V 8.10 3.47 1.88 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 0.91 0.00 0.00 0.16 0.00 0.00 94 N 8.83 4.24 0.00 2.84 2.79 0.00 0.00 7.06 6.91 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 95 S 8.15 3.96 0.00 3.73 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 96 A 8.71 3.93 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 97 S 8.75 4.28 0.00 3.73 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 S 8.95 4.11 0.00 3.81 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 99 G 8.55 3.63 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 0.00 0.00 0.00 100 V 7.95 3.64 2.45 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 1.09 0.00 0.00 1.01 0.00 0.00 101 L 8.20 3.93 0.00 1.84 1.72 0.89 0.77 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 0.00 102 S 8.76 4.08 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 0.00 103 A 8.66 4.12 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 0.00 104 G 8.32 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 0.00 0.00 0.00 0.00 105 L 7.83 4.03 0.00 1.80 1.76 0.95 0.96 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 0.00 106 N 8.65 4.51 0.00 2.71 2.90 0.00 0.00 7.19 8.15 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 0.00 107 S 8.76 4.39 0.00 4.03 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 0.00 108 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 0.00 109 V 7.82 4.54 2.14 0.00 0.00 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 1.10 0.00 0.00 110 P 0.00 4.49 0.00 1.95 1.74 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.37 0.00 111 C 8.59 5.24 0.00 2.83 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 0.00 112 V 8.86 3.74 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 0.88 0.00 0.00 0.88 0.00 0.00 113 F 9.00 4.49 0.00 3.05 2.94 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 0.00 114 G 8.73 4.18 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 0.00 115 V 6.40 4.80 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 -0.88 0.00 0.00 0.71 0.00 0.00 116 L 8.88 4.41 0.00 1.63 1.66 0.95 0.35 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 0.00 117 T 7.96 5.36 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 1.27 0.00 0.00 118 C 8.19 4.31 0.00 2.97 3.11 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 0.00 119 D 9.00 4.50 0.00 2.67 2.53 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 0.00 120 N 9.64 4.73 0.00 2.89 2.91 0.00 0.00 6.77 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 M 8.81 3.98 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 122 D 8.22 4.36 0.00 2.82 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 0.00 123 Q 8.75 3.98 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 124 A 7.70 4.17 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 0.00 125 I 8.04 3.75 2.05 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.32 1.02 0.00 0.00 126 N 8.20 4.41 0.00 2.99 2.88 0.00 0.00 7.03 7.79 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 0.00 127 R 8.59 4.01 0.00 1.92 1.98 0.00 3.28 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 128 A 7.57 4.47 1.25 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 0.00 0.00 129 G 9.02 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 0.00 130 G 7.88 4.21 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 0.00 0.00 0.00 131 K 8.28 4.19 0.00 1.83 1.95 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.39 7.81 132 A 8.00 4.49 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 0.00 133 G 8.89 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 0.00 0.00 0.00 134 N 8.14 5.76 0.00 2.71 2.60 0.00 0.00 6.78 6.39 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 0.00 135 K 8.18 4.17 0.00 1.83 1.75 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.20 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.36 7.81 136 G 8.25 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 0.00 137 A 8.39 3.77 1.21 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 0.00 0.00 138 E 8.00 3.73 0.00 2.13 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 2.26 2.43 0.00 139 S 8.60 3.99 0.00 3.83 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 0.00 140 A 7.56 3.42 0.21 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 0.00 0.00 141 L 7.44 3.35 0.00 1.42 1.63 0.71 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 142 T 8.00 3.68 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 1.12 0.00 0.00 143 A 8.05 3.90 1.23 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 0.00 0.00 144 I 7.58 3.64 1.93 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.46 0.93 0.00 0.00 145 E 8.42 3.83 0.00 1.93 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 2.24 2.31 0.00 146 M 8.46 3.85 0.00 1.66 2.06 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.70 0.00 147 A 7.91 3.85 1.15 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 0.00 0.00 148 S 7.89 4.22 0.00 3.83 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 0.00 149 L 8.34 4.01 0.00 1.86 2.04 0.95 1.16 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 0.00 150 F 8.82 4.45 0.00 3.42 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 0.00 151 E 8.03 5.15 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 2.40 2.37 0.00 152 H 7.86 4.94 0.00 3.39 3.69 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 8.93 4.47 0.00 3.33 3.71 0.00 5.96 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 7.29 3.98 0.00 1.75 1.62 0.85 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 155 K 7.52 4.12 0.00 1.82 1.69 0.00 1.53 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.51 7.81