NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1B H 4.6715 8.3033 117.8232 54.8135 31.0651 172.7532 1C H 3.8836 8.7674 116.0636 57.1055 26.2227 172.3161 1D H 4.1456 8.8290 110.6426 56.9845 27.4191 174.6017 1E H 5.0407 8.2308 113.4634 53.9614 32.8589 173.3126 1F H 4.6031 8.9474 117.3934 56.0261 28.9284 174.2787 1G F 4.7008 8.3640 119.5576 57.7819 39.8894 174.2220 2 N 4.6409 8.4117 117.2765 52.2899 39.0624 174.6107 3 L 4.7708 8.0638 123.3406 52.0265 44.0180 174.6193 4 P 4.5035 0.0000 0.0000 61.6282 32.2782 174.4728 5 P 4.3300 0.0000 0.0000 62.9754 32.1985 174.3837 6 G 3.6746 7.9774 104.6664 44.0727 0.0000 171.8717 7 N 4.6220 8.0231 115.7268 51.7206 40.3641 173.4372 8 Y 4.8300 8.0033 112.5717 57.9614 38.0128 177.5708 9 K 4.0866 8.6919 121.0343 59.2113 32.3400 177.5085 10 K 4.4671 7.6124 117.6159 54.3499 33.6431 174.8444 11 P 4.7309 0.0000 0.0000 63.0704 32.9666 174.7943 12 K 5.1530 9.5165 119.3932 54.9255 37.3986 175.1123 13 L 5.0857 9.0248 121.5134 53.1786 44.3871 175.9746 14 L 5.0369 8.6908 123.9672 53.5954 43.2001 174.8420 15 Y 4.6348 9.1673 127.3363 56.7464 40.2190 173.7697 16 C 4.2209 8.5689 129.1614 58.2496 32.1565 174.4574 17 S 4.0614 8.4825 121.8812 61.0368 62.7065 174.9552 18 N 4.1092 8.2615 119.1853 55.5227 38.9165 175.0813 19 G 3.8344 7.6578 105.7559 44.7353 0.0000 173.6038 20 G 3.1079 7.7849 107.4670 45.8726 0.0000 173.4856 21 H 4.4154 7.2768 115.9009 54.5211 31.1255 173.9751 22 F 5.3029 8.7709 119.9773 55.7511 40.6605 175.3913 23 L 4.4891 9.1148 126.3985 55.7835 43.0584 175.7187 24 R 4.8646 9.6517 125.9991 54.6525 33.7923 173.9673 25 I 4.6116 8.2113 126.7224 59.2954 38.5161 175.7115 26 L 4.0855 8.9694 128.1309 53.5854 42.2646 177.0817 27 P 4.2040 0.0000 0.0000 65.8006 31.3000 177.5661 28 D 4.4218 7.9132 114.7969 54.2832 39.5892 176.9115 29 G 4.2375 8.5144 109.7310 45.3859 0.0000 173.4150 30 T 4.4523 8.7335 117.4566 62.7162 69.3673 173.8316 31 V 4.8984 8.0986 124.5702 61.2077 34.3452 174.5694 32 D 4.5365 8.7958 126.2662 53.0241 42.9576 174.0130 33 G 4.5778 8.5636 104.5440 45.4674 0.0000 172.2423 34 T 4.9839 8.7191 115.6552 60.4069 70.9132 174.8678 35 R 4.1029 8.8406 125.0499 57.3892 30.7849 176.2373 36 D 4.5878 8.3877 119.2158 53.4184 40.5442 176.7099 37 R 3.7709 8.6730 128.2152 58.6312 30.3995 177.7038 38 S 4.2224 8.2355 111.9569 60.2685 63.4826 174.1090 39 D 4.2850 7.4782 119.4092 54.8846 41.1681 176.4335 40 Q 4.3825 8.5705 123.2560 56.7476 29.3474 175.7700 41 H 4.9183 9.3167 116.2740 55.4576 29.2315 175.1108 42 I 4.6203 7.2161 109.3536 59.7010 38.5746 175.1782 43 Q 4.2884 7.8337 121.9320 55.5153 29.8043 174.5896 44 L 5.1200 8.9895 124.8308 52.8180 45.3077 175.3705 45 Q 4.6494 9.3882 125.9869 54.7489 30.3450 174.2766 46 L 5.2650 8.5679 126.7897 53.7622 43.7276 176.0831 47 S 4.4890 8.7269 115.2197 56.8061 67.0548 172.2848 48 A 4.8881 8.1713 122.3504 50.5663 20.3354 176.2818 49 E 4.1089 8.8890 124.7484 58.4510 30.3200 176.7018 50 S 4.8236 7.4626 112.1685 55.7347 66.9357 173.5231 51 V 3.8699 8.3623 121.2357 64.8955 31.4291 176.4055 52 G 3.9199 9.2360 114.9135 45.1805 0.0000 171.8743 53 E 5.1239 8.2343 120.0574 54.6532 32.0314 175.6739 54 V 4.8522 8.8971 116.9633 59.7554 36.6063 173.9063 55 Y 5.0648 8.9849 119.7878 56.4357 40.9833 175.1982 56 I 4.6346 8.6496 123.4788 59.5772 40.0673 174.1095 57 K 4.7389 8.8048 129.2288 54.0566 35.2475 175.0591 58 S 4.6541 8.6970 122.9501 58.4793 62.6708 174.9819 59 T 3.8584 8.4414 118.3516 64.5810 68.8104 175.9785 60 E 4.0129 8.3743 122.7316 58.6792 29.7716 177.1268 61 T 4.3538 7.5255 104.8583 60.5228 69.7157 175.1582 62 G 3.7898 8.2195 110.1973 45.7169 0.0000 174.0575 63 Q 4.3656 7.4535 119.3355 56.0612 30.1292 174.7012 64 Y 4.8501 9.1023 120.3613 56.1620 40.4025 175.0988 65 L 4.4165 9.0535 125.9449 55.4033 43.5683 175.5640 66 A 4.9978 8.5736 125.8139 50.9472 23.3475 174.4191 67 M 5.4719 8.6342 118.7745 54.0890 35.3700 175.2407 68 D 5.0300 9.2032 126.2393 51.9881 41.6520 177.0594 69 T 4.3351 8.5607 108.4203 64.3817 68.5182 174.3931 70 D 4.6191 8.5285 120.7964 53.7377 41.2242 176.9124 71 G 3.2749 8.7319 108.1628 45.7618 0.0000 172.9553 72 L 4.8120 7.7495 119.1453 52.6307 43.3944 176.0105 73 L 5.0775 8.3659 122.9434 55.2762 42.7868 175.4649 74 Y 4.8781 8.6630 118.6569 56.2405 41.9464 173.3312 75 G 4.1379 8.8838 108.6387 45.5072 0.0000 173.1577 76 S 5.0496 9.2465 121.8222 56.6747 63.9288 175.3511 77 Q 4.4140 9.0985 125.7283 58.1296 28.9394 176.5041 78 T 4.6726 7.5813 106.5492 58.9447 71.4389 172.9019 79 P 3.8800 0.0000 0.0000 61.4070 29.8937 174.9220 80 N 4.8903 7.7478 125.7709 51.3063 40.0380 176.3581 81 S 4.3442 8.5700 111.8617 61.4065 62.9116 174.9513 82 N 4.4958 8.8564 117.6368 54.5503 38.5103 175.4579 83 C 4.9565 8.1075 115.1386 58.6587 29.4323 173.6643 84 L 4.3704 7.2691 120.1860 53.5781 43.1454 175.5990 85 F 5.2175 8.6460 120.9664 55.5890 43.5948 174.2344 86 L 4.6938 9.3157 123.6011 54.0506 42.5098 175.7120 87 E 4.5095 9.0012 127.2523 55.4622 30.0476 175.8086 88 R 4.7993 8.6111 125.4852 54.1399 34.8719 174.6345 89 L 4.8281 8.6640 123.5559 55.0070 43.3327 175.7166 90 E 4.7066 8.9190 124.0866 55.1386 33.4828 175.1142 91 E 3.9631 9.5898 124.2919 58.1901 27.2537 174.1266 92 N 4.3189 8.6140 110.3953 54.2428 36.7238 174.3449 93 H 4.7012 8.4778 115.6472 57.7872 34.1473 173.3036 94 Y 4.7362 7.6828 115.8342 57.2614 40.2088 173.6191 95 N 5.4413 9.4845 118.9344 51.9953 40.9252 174.5328 96 T 5.2469 8.8207 113.1852 60.1169 72.9673 172.6043 97 Y 5.0352 8.6403 119.1619 56.6071 41.5803 174.1997 98 I 4.6182 8.5256 126.0048 59.2691 39.4577 175.4141 99 S 3.9773 9.0884 122.8373 58.4427 62.1360 174.0470 100 K 3.8910 8.7221 129.1879 59.3500 32.1874 178.7569 101 A 3.8774 7.7024 120.2166 54.6168 18.6083 177.1737 102 H 4.5748 7.7879 112.5109 55.1711 30.1257 175.6642 103 A 3.9740 7.6819 125.9479 55.3310 18.3159 180.9004 104 E 4.0149 8.0253 114.0591 58.7040 29.6396 177.7819 105 K 4.3011 7.6494 116.1611 55.1385 32.7262 175.9718 106 N 3.8373 7.5908 115.3279 53.9954 36.4782 175.3668 107 W 4.8681 7.6579 117.7456 56.1429 30.6133 177.4665 108 F 5.4045 8.9390 124.0917 55.6816 40.7289 176.1373 109 V 3.9559 8.9474 122.0250 63.1519 32.5353 175.2240 110 G 4.4386 8.4641 112.2105 45.4918 0.0000 171.6804 111 L 5.3445 8.4216 120.8361 52.4819 45.5710 177.1788 112 K 4.2734 9.3055 123.1162 55.4783 32.9099 178.4181 113 K 3.9025 8.3849 119.4102 59.3046 31.9304 178.1671 114 N 4.4357 7.9789 114.0993 53.4293 37.9286 175.9106 115 G 3.4864 8.3651 109.3154 44.7994 0.0000 173.3668 116 S 4.8521 8.7914 115.3517 57.2076 65.1012 173.7928 117 C 4.6911 8.5794 118.5083 59.9686 28.9267 173.2966 118 K 4.3691 8.7182 124.1255 54.3189 33.1355 175.9335 119 R 3.9056 8.7206 128.0363 56.6353 30.6274 176.7155 120 G 3.3604 8.8548 115.3592 48.2940 0.0000 173.9244 121 P 4.1201 0.0000 0.0000 64.6363 31.3369 177.5458 122 R 4.2627 7.6686 115.1082 56.5133 30.4430 176.4193 123 T 5.0940 7.3427 108.2928 60.3330 70.6011 173.8437 124 H 4.9432 8.2173 117.7706 54.6609 32.7777 172.9661 125 Y 3.9615 8.5244 120.0026 59.9138 38.1600 176.6731 126 G 4.1122 8.9991 111.1449 45.6697 0.0000 174.0044 127 Q 4.3479 7.6308 118.4162 54.8138 30.0984 176.9570 128 K 3.6855 8.2984 119.2442 58.0634 32.8269 179.2045 129 A 4.0166 8.0829 121.5777 53.7274 18.3857 178.4969 130 I 4.4937 6.7304 106.0847 60.0505 38.5127 175.3588 131 L 4.4328 7.1936 122.8346 53.9525 42.6745 175.7340 132 F 5.4349 9.3985 122.8587 55.6058 43.0649 174.9097 133 L 5.2867 9.2951 121.4295 52.2010 44.4936 174.2578 134 P 5.1060 0.0000 0.0000 62.7687 32.3412 175.7575 135 L 4.8951 9.2013 123.4997 52.1055 45.0322 174.1737 136 P 4.6467 0.0000 0.0000 62.4314 32.1023 176.8423 137 V 3.8524 8.0408 116.7528 61.6463 31.1030 176.1655 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 1B H 8.30 4.67 0.00 3.10 3.55 0.00 5.75 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1C H 8.77 3.88 0.00 3.38 3.34 0.00 5.85 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 8.83 4.15 0.00 3.26 3.34 0.00 5.66 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 8.23 5.04 0.00 3.34 3.21 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.95 4.60 0.00 3.33 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.36 4.70 0.00 2.73 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 2 N 8.41 4.64 0.00 2.93 2.78 0.00 0.00 6.88 6.74 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 3 L 8.06 4.77 0.00 1.49 1.42 0.69 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.50 0.00 2.19 2.12 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 5 P 0.00 4.33 0.00 2.17 2.06 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 6 G 7.98 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 7 N 8.02 4.62 0.00 2.65 2.66 0.00 0.00 5.86 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 8 Y 8.00 4.83 0.00 3.07 3.26 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 9 K 8.69 4.09 0.00 1.86 1.88 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.49 7.81 10 K 7.61 4.47 0.00 1.76 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.42 7.81 11 P 0.00 4.73 0.00 2.09 2.17 0.00 3.64 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 12 K 9.52 5.15 0.00 1.67 1.83 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.60 7.81 13 L 9.02 5.09 0.00 1.62 1.51 0.39 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.69 5.04 0.00 1.63 1.70 0.37 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.17 4.63 0.00 3.33 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 16 C 8.57 4.22 0.00 2.55 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.48 4.06 0.00 3.87 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 18 N 8.26 4.11 0.00 2.63 2.63 0.00 0.00 6.80 7.98 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 19 G 7.66 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 20 G 7.78 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 0.00 0.00 0.00 21 H 7.28 4.42 0.00 3.00 3.15 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.77 5.30 0.00 3.13 2.96 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 23 L 9.11 4.49 0.00 1.85 1.55 0.98 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.65 4.86 0.00 1.90 2.02 0.00 3.22 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 25 I 8.21 4.61 1.84 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 1.18 0.73 0.89 0.00 0.00 26 L 8.97 4.09 0.00 1.88 1.52 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.20 0.00 2.00 2.11 0.00 3.54 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 28 D 7.91 4.42 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.51 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 0.00 0.00 0.00 0.00 30 T 8.73 4.45 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 31 V 8.10 4.90 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 0.86 0.00 0.00 0.93 0.00 0.00 32 D 8.80 4.54 0.00 2.84 2.70 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 33 G 8.56 4.58 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 0.00 34 T 8.72 4.98 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 1.37 0.00 0.00 35 R 8.84 4.10 0.00 1.84 1.95 0.00 3.17 0.00 0.00 3.05 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.37 0.00 36 D 8.39 4.59 0.00 2.81 2.64 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 37 R 8.67 3.77 0.00 1.91 1.98 0.00 3.31 0.00 0.00 3.27 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.31 0.00 38 S 8.24 4.22 0.00 4.03 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 39 D 7.48 4.28 0.00 2.77 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 40 Q 8.57 4.38 0.00 1.91 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.21 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 41 H 9.32 4.92 0.00 3.30 3.42 0.00 5.76 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.22 4.62 1.88 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 1.42 1.25 1.04 0.00 0.00 43 Q 7.83 4.29 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 44 L 8.99 5.12 0.00 1.47 1.43 0.80 0.52 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 45 Q 9.39 4.65 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 46 L 8.57 5.27 0.00 1.73 1.51 0.95 1.05 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 47 S 8.73 4.49 0.00 3.88 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 48 A 8.17 4.89 1.28 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 0.00 0.00 0.00 49 E 8.89 4.11 0.00 1.78 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 50 S 7.46 4.82 0.00 3.99 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 51 V 8.36 3.87 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 1.01 0.00 0.00 1.04 0.00 0.00 52 G 9.24 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 53 E 8.23 5.12 0.00 1.85 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 2.26 2.31 0.00 54 V 8.90 4.85 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 0.78 0.00 0.00 1.11 0.00 0.00 55 Y 8.98 5.06 0.00 2.93 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 56 I 8.65 4.63 1.72 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.59 0.68 0.00 0.00 57 K 8.80 4.74 0.00 1.11 1.46 0.00 1.22 0.00 0.00 0.61 0.00 0.00 2.68 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.96 0.84 7.81 58 S 8.70 4.65 0.00 3.87 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 59 T 8.44 3.86 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 1.16 0.00 0.00 60 E 8.37 4.01 0.00 1.97 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 2.13 2.32 0.00 61 T 7.53 4.35 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 1.25 0.00 0.00 62 G 8.22 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 63 Q 7.45 4.37 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 64 Y 9.10 4.85 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 65 L 9.05 4.42 0.00 1.63 1.53 0.81 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.57 5.00 0.67 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 67 M 8.63 5.47 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.72 0.00 68 D 9.20 5.03 0.00 2.98 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 69 T 8.56 4.34 4.35 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 1.31 0.00 0.00 70 D 8.53 4.62 0.00 2.82 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 71 G 8.73 3.27 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 72 L 7.75 4.81 0.00 2.02 1.60 0.88 0.59 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 73 L 8.37 5.08 0.00 1.58 1.63 0.92 0.89 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 74 Y 8.66 4.88 0.00 3.15 3.01 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 75 G 8.88 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 9.25 5.05 0.00 3.72 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 9.10 4.41 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.51 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 78 T 7.58 4.67 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 1.22 0.00 0.00 79 P 0.00 3.88 0.00 0.72 0.49 0.00 3.45 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.21 0.00 80 N 7.75 4.89 0.00 2.94 2.98 0.00 0.00 5.86 7.64 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 81 S 8.57 4.34 0.00 3.93 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 82 N 8.86 4.50 0.00 3.08 2.96 0.00 0.00 6.70 7.65 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 83 C 8.11 4.96 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 84 L 7.27 4.37 0.00 1.32 1.29 0.77 0.01 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 85 F 8.65 5.22 0.00 3.03 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 86 L 9.32 4.69 0.00 1.54 1.61 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 87 E 9.00 4.51 0.00 2.18 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 2.23 2.02 0.00 88 R 8.61 4.80 0.00 1.74 1.76 0.00 3.08 0.00 0.00 2.82 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00 89 L 8.66 4.83 0.00 1.63 1.60 1.01 1.07 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 90 E 8.92 4.71 0.00 2.26 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 0.00 2.30 2.47 0.00 91 E 9.59 3.96 0.00 2.42 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 92 N 8.61 4.32 0.00 2.80 2.85 0.00 0.00 6.84 8.16 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 93 H 8.48 4.70 0.00 2.88 2.82 0.00 5.76 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 94 Y 7.68 4.74 0.00 3.04 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 95 N 9.48 5.44 0.00 2.97 2.58 0.00 0.00 6.91 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 96 T 8.82 5.25 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 1.34 0.00 0.00 97 Y 8.64 5.04 0.00 2.74 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.53 4.62 1.72 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 0.57 0.66 0.00 0.00 99 S 9.09 3.98 0.00 4.03 4.08 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 0.00 100 K 8.72 3.89 0.00 1.66 1.56 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.74 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.23 1.19 7.81 101 A 7.70 3.88 1.06 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 0.00 102 H 7.79 4.57 0.00 3.05 2.14 0.00 5.64 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 0.00 103 A 7.68 3.97 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 0.00 104 E 8.03 4.01 0.00 1.84 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 2.30 0.00 105 K 7.65 4.30 0.00 0.82 1.72 0.00 1.65 0.00 0.00 1.16 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.21 0.93 7.81 106 N 7.59 3.84 0.00 3.00 2.95 0.00 0.00 6.88 7.73 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 0.00 107 W 7.66 4.87 0.00 3.27 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 0.00 108 F 8.94 5.40 0.00 2.88 3.02 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 0.00 109 V 8.95 3.96 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 0.68 0.00 0.00 0.45 0.00 0.00 110 G 8.46 4.44 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 0.00 111 L 8.42 5.34 0.00 1.48 1.43 1.00 1.11 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 0.00 112 K 9.31 4.27 0.00 1.96 1.68 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.40 1.48 7.81 113 K 8.38 3.90 0.00 1.70 1.84 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.37 7.81 114 N 7.98 4.44 0.00 2.77 2.90 0.00 0.00 6.26 7.00 0.00 0.00 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 G 8.37 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 0.00 116 S 8.79 4.85 0.00 3.84 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 0.00 117 C 8.58 4.69 0.00 2.87 2.91 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 0.00 118 K 8.72 4.37 0.00 1.66 1.76 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.29 1.29 7.81 119 R 8.72 3.91 0.00 1.86 1.67 0.00 3.39 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.23 0.00 120 G 8.85 3.36 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 0.00 121 P 0.00 4.12 0.00 1.88 2.15 0.00 3.02 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.48 0.00 122 R 7.67 4.26 0.00 1.83 1.92 0.00 3.30 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 123 T 7.34 5.09 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 1.35 0.00 0.00 124 H 8.22 4.94 0.00 3.20 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.52 3.96 0.00 3.08 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 0.00 126 G 9.00 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 0.00 0.00 0.00 0.00 127 Q 7.63 4.35 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 128 K 8.30 3.69 0.00 1.83 1.64 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.32 7.81 129 A 8.08 4.02 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 0.00 130 I 6.73 4.49 1.64 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 1.13 0.83 0.60 0.00 0.00 131 L 7.19 4.43 0.00 1.11 0.84 0.25 0.70 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 0.00 132 F 9.40 5.43 0.00 3.41 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 0.00 133 L 9.30 5.29 0.00 1.70 1.64 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.11 0.00 2.18 2.23 0.00 3.83 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 2.07 2.10 0.00 135 L 9.20 4.90 0.00 1.63 1.63 1.19 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.65 0.00 1.94 2.00 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 2.03 2.13 0.00 137 V 8.04 3.85 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 0.54 0.00 0.00 0.94 0.00 0.00