NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2916 8.1227 123.5840 52.4511 20.4569 178.2308 3 R 4.0944 7.9768 111.8698 54.7018 30.5239 174.4313 4 R 5.3879 6.2665 127.5411 57.3945 31.2277 172.5388 5 R 4.3709 7.1844 118.7396 55.8786 32.4483 177.9536 6 R 4.2178 8.2264 118.0273 54.3068 28.7670 175.8243 7 A 3.7724 8.0052 121.0822 50.9413 16.8539 175.4254 8 E 4.8621 8.1926 114.7016 55.5754 32.8802 177.8953 9 V 4.3308 8.5341 116.7803 62.3121 32.2825 173.7802 10 R 4.1402 8.1594 120.3755 56.4295 29.9007 176.4400 11 Q 4.5227 8.4130 122.1782 54.6576 31.0360 174.9771 12 L 4.8884 8.0244 120.8102 54.3491 43.5864 174.3741 13 Q 4.5790 8.4715 118.0950 53.4136 30.7193 174.3122 14 P 4.3053 0.0000 0.0000 62.5245 32.0938 175.4757 15 D 4.4845 8.6401 120.6277 54.6369 41.5797 176.2190 16 L 4.7515 8.2240 126.0763 55.0777 41.2654 176.7601 17 V 4.4624 8.5024 118.6211 64.9897 39.5183 173.5036 18 Y 4.3791 8.0870 114.7768 57.2705 38.3871 177.5250 19 G 3.8182 9.2875 114.1297 46.7064 0.0000 169.7568 20 D 4.3561 8.4944 124.5462 53.9270 38.2812 175.2639 21 V 4.2403 8.4261 126.9834 63.6779 31.2347 177.8826 22 L 3.9983 8.0000 119.7880 59.1255 40.3564 179.2425 23 V 3.8084 7.8338 119.0509 65.5583 31.2397 177.5231 24 T 4.1240 7.7774 108.0765 63.4331 68.2334 176.0756 25 A 4.0956 8.1192 124.8879 55.1420 18.3814 179.3844 26 F 4.2842 8.1429 119.2803 61.3262 39.0897 176.9966 27 I 3.3561 7.7988 117.8864 64.3585 37.3504 176.9760 28 N 4.3009 7.5452 115.0761 56.3222 38.4829 176.7919 29 K 3.9347 7.5841 118.9019 60.0829 32.3306 178.8079 30 I 3.0620 7.8633 118.2240 66.1561 37.4155 176.2934 31 M 2.9811 7.1915 115.4515 55.8085 36.9366 175.4662 32 R 5.0707 8.3678 117.6049 57.2120 33.2791 175.2441 33 D 4.6003 7.9789 127.1013 55.8342 39.3164 177.9300 34 G 4.0661 8.6599 115.0804 44.4590 0.0000 173.7320 35 K 4.4992 7.3709 113.6540 55.6219 37.9788 178.0747 36 K 4.0704 8.1364 119.6567 58.6918 31.9316 177.8399 37 N 4.3139 8.1102 118.6949 57.1912 38.0426 177.0265 38 L 4.1175 7.8849 119.2052 57.4534 41.3386 178.7951 39 A 4.0732 8.2469 120.3457 56.3939 18.3221 178.6930 40 A 4.7500 8.4644 118.9709 54.5834 18.0657 179.8651 41 R 3.4203 7.6741 114.5659 59.1324 30.9200 178.5298 42 I 3.7592 7.9253 118.1494 64.7244 37.5336 178.1176 43 F 4.1835 7.8945 113.8268 60.6666 37.4251 176.7145 44 Y 3.7971 5.5621 120.1222 60.1358 38.3500 177.8962 45 D 4.2193 8.0610 119.2278 57.6151 40.9619 178.8814 46 A 4.2720 8.5169 121.0592 55.1366 18.2990 179.5784 47 C 4.1315 8.2396 115.7667 63.1041 28.3607 176.3865 48 K 4.0508 7.6095 118.8380 58.7686 31.5614 179.0694 49 I 3.9097 8.1398 120.8937 63.8172 37.0918 177.9874 50 I 3.7348 8.2344 121.0954 64.2632 36.5705 178.5166 51 Q 4.2926 7.7575 117.9220 59.0295 28.7130 177.6988 52 E 4.0710 7.6384 118.4540 59.7809 29.5989 179.4688 53 K 4.2531 8.0796 116.7815 57.1293 32.7577 176.5647 54 T 4.4840 8.4489 114.6005 60.0369 68.5897 176.4338 55 G 3.8986 8.7768 116.2301 46.0019 0.0000 172.2792 56 Q 4.4650 8.5427 120.5090 53.4447 30.1401 175.7042 57 E 3.9637 8.9074 122.1280 56.4623 30.2985 176.1249 58 P 4.2857 0.0000 0.0000 66.1168 30.9778 178.1492 59 L 3.8675 7.7711 119.2868 57.9100 42.0285 178.5895 60 K 4.0809 7.9482 118.4017 58.3613 31.9082 178.8438 61 V 3.6235 7.3228 117.7613 65.9758 31.2716 177.3508 62 F 4.4346 8.2889 119.8378 61.3348 39.0247 177.1918 63 K 3.7386 7.8524 119.4542 59.5943 31.8487 177.9477 64 Q 3.8792 7.6781 117.4992 58.9534 29.2360 177.0413 65 A 3.4452 9.1656 117.8416 56.4409 18.1809 179.2419 66 V 3.4509 7.4668 115.8208 64.7985 32.1883 176.6180 67 E 4.4220 7.4011 116.5178 56.2311 30.1935 176.0396 68 N 4.5693 7.7401 118.6403 53.9628 44.7990 174.7055 69 V 4.2523 7.6375 116.1666 62.7399 32.7409 175.8212 70 K 3.7410 8.0892 122.0418 55.1821 32.4446 174.5451 71 P 4.1063 0.0000 0.0000 63.1395 31.5011 175.9860 72 R 4.3341 8.5249 121.5019 56.6268 31.6811 176.2908 73 M 4.8312 7.5634 115.1742 53.6279 35.1923 174.3145 74 E 4.7360 7.8626 117.7161 57.0937 33.2108 173.7306 75 V 4.5607 8.0626 110.5499 61.5431 35.7618 172.9897 76 R 4.7388 9.2165 120.3326 55.0750 34.8408 175.2500 77 S 5.0367 8.6013 117.2407 57.2027 64.2433 172.4272 78 R 4.3260 7.5659 119.5285 56.9921 35.0049 171.6362 79 R 4.8790 9.1375 117.8271 56.6775 31.7732 175.5547 80 V 4.4660 7.8061 121.4907 62.9575 33.5583 171.8209 81 G 4.1459 8.0866 113.9557 42.7932 0.0000 173.3725 82 G 4.6718 7.5816 120.8708 46.6124 0.0000 170.4372 83 A 4.3543 7.6381 121.7125 50.7939 21.1710 175.9983 84 N 5.0847 8.6892 112.8524 51.7941 38.2099 173.7071 85 Y 4.4743 8.6033 123.6134 57.9638 40.5591 175.3399 86 Q 5.2197 8.1404 118.3419 55.2245 30.8357 174.4415 87 V 4.2710 8.3945 123.9873 62.0684 33.1871 172.3165 88 P 5.4928 0.0000 0.0000 60.5405 33.2308 173.9895 89 M 4.2218 7.9329 121.9033 56.0455 35.9227 175.7973 90 E 4.4209 8.6919 118.7081 55.5709 31.3287 175.3834 91 V 4.3944 7.7989 117.0572 61.1412 34.8306 175.2020 92 S 4.7651 8.1888 118.7090 56.4630 65.5415 171.7579 93 P 4.1832 0.0000 0.0000 66.3669 30.7597 177.8758 94 R 4.0850 8.0307 118.6894 57.5019 30.5832 178.6302 95 R 4.0608 7.6904 118.2469 58.6558 30.9387 178.3862 96 Q 3.9530 8.7131 117.8958 58.9700 28.2693 177.5980 97 Q 4.0698 8.8306 123.2144 58.6558 28.8446 177.3192 98 S 4.0502 8.2615 114.1757 63.0564 63.1235 176.6721 99 L 3.9289 8.7344 120.2665 57.9743 41.2988 180.2872 100 A 3.3893 7.3430 120.9618 55.2043 19.0534 179.2290 101 L 3.3521 7.6521 118.0447 57.3445 41.7101 179.5833 102 R 4.0306 7.9818 117.5944 59.7838 29.7776 179.0324 103 W 4.2987 8.5610 118.4268 59.7169 28.6031 178.5180 104 L 4.0730 8.7037 119.7003 57.5683 40.8130 179.2445 105 V 3.7473 7.4907 116.9119 66.6197 31.6799 177.8828 106 Q 4.0791 8.0950 116.5825 58.6829 28.9673 177.7762 107 A 3.9221 7.7030 120.8056 55.6430 18.2590 179.6181 108 A 4.1102 7.8128 118.4523 55.0475 18.2503 178.8893 109 N 4.7431 7.8706 111.5670 54.0620 38.4298 175.7515 110 Q 4.4679 7.6115 120.1834 56.1474 31.3151 176.2377 111 R 4.0713 7.2532 115.6229 55.3856 30.7803 174.8566 112 P 4.4183 0.0000 0.0000 65.9486 31.9320 178.3268 113 E 4.4236 7.7535 117.1769 56.3294 29.0630 178.2564 114 R 4.6236 7.8822 119.8844 56.0615 31.7920 174.8955 115 R 4.2736 8.4477 112.1927 56.3661 33.5702 176.5348 116 A 3.4866 7.9586 122.5616 53.4897 21.3548 181.2232 117 A 3.2862 7.3191 108.5057 52.5678 22.3731 180.4568 118 V 3.7335 6.7006 112.7424 61.5930 31.1081 181.0897 119 R 3.2444 7.9488 124.3227 58.9300 32.1463 177.3002 120 I 3.6375 7.9674 119.8421 63.4217 37.1081 177.8696 121 A 4.1758 8.8152 120.8369 55.8580 18.0587 178.9992 122 H 4.0506 8.2530 113.6198 59.1726 29.2899 177.1002 123 E 5.0346 8.6950 122.1193 59.0048 29.5155 178.5090 124 L 4.0380 8.7305 120.0077 58.3967 41.5304 179.2266 125 M 4.3306 7.9833 117.2928 57.1771 32.1522 178.0573 126 D 4.5117 8.4439 119.4631 56.5725 40.3233 178.1094 127 A 4.3370 7.5901 119.8370 53.9841 19.2120 181.5854 128 A 4.3278 7.8393 119.4258 51.4121 17.0398 177.2661 129 E 4.5767 8.1399 126.2219 55.3146 37.4300 174.7823 130 G 4.3019 7.1161 122.3687 46.1970 0.0000 172.2105 131 K 4.6348 8.6164 114.9869 56.3316 33.8193 176.1183 132 G 4.7953 7.3716 106.2818 43.3671 0.0000 175.0616 133 G 3.5503 9.3559 106.6478 47.1566 0.0000 175.7706 134 A 3.6067 7.7048 122.3068 55.0904 19.1861 178.7604 135 V 3.4631 8.0746 114.3958 66.4680 31.3113 177.5795 136 K 4.2133 7.9580 118.3170 59.3452 32.3738 178.6855 137 K 3.6133 7.7681 118.5254 59.4474 31.8050 178.8385 138 K 4.3607 9.0216 119.8086 59.8349 31.7678 178.2718 139 E 4.7003 8.2349 120.2351 59.0769 29.3405 179.1096 140 D 4.4003 7.9338 117.0117 56.9690 41.2784 178.0676 141 V 3.6428 8.2462 118.1954 66.1900 31.7805 177.5684 142 E 4.1111 8.8961 118.3624 59.3876 28.9643 178.9126 143 R 3.9034 7.8320 118.7176 60.1416 29.9066 178.3004 144 M 4.2115 8.7282 116.4077 57.5954 31.9080 176.9659 145 A 4.5810 7.4248 117.7216 51.2311 20.7772 179.2488 146 E 3.4531 10.7800 116.1006 56.2828 30.4857 175.6630 147 A 4.6039 8.7240 122.2539 50.7215 21.7468 176.6285 148 N 4.8737 8.1882 122.1090 53.5610 40.0926 176.6084 149 R 3.8725 7.9284 115.6664 57.4018 30.1808 178.1767 150 A 4.2907 6.8826 121.1291 53.6951 18.0011 177.3784 151 Y 4.7994 7.2143 110.8150 57.2561 43.9147 176.6474 152 A 3.9900 8.0864 124.2409 55.6489 18.4686 179.6378 153 H 3.9140 7.1476 109.6649 58.2153 28.7544 174.4021 154 Y 4.9570 7.3834 118.0612 56.7831 36.8693 175.0867 155 R 4.0923 8.5608 122.0378 56.5423 31.7563 176.9215 156 W 4.0410 8.1000 118.2472 57.0203 29.5366 173.9940 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 A 8.12 4.29 1.33 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 0.00 0.00 0.00 3 R 7.98 4.09 0.00 1.86 1.94 0.00 3.36 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 4 R 6.27 5.39 0.00 2.13 2.05 0.00 3.15 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.32 0.00 5 R 7.18 4.37 0.00 1.94 2.03 0.00 3.10 0.00 0.00 3.43 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 6 R 8.23 4.22 0.00 1.82 1.92 0.00 3.25 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 7 A 8.01 3.77 1.39 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 0.00 0.00 8 E 8.19 4.86 0.00 1.88 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 2.18 2.39 0.00 9 V 8.53 4.33 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 0.68 0.00 0.00 0.94 0.00 0.00 10 R 8.16 4.14 0.00 1.88 1.94 0.00 3.20 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 11 Q 8.41 4.52 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 12 L 8.02 4.89 0.00 1.56 1.51 0.96 0.74 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 13 Q 8.47 4.58 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.64 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 14 P 0.00 4.31 0.00 2.09 2.03 0.00 3.75 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 2.05 2.12 0.00 15 D 8.64 4.48 0.00 2.94 2.62 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 16 L 8.22 4.75 0.00 1.72 1.68 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.50 4.46 1.68 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 0.15 0.00 0.00 0.59 0.00 0.00 18 Y 8.09 4.38 0.00 3.33 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 19 G 9.29 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 0.00 0.00 0.00 20 D 8.49 4.36 0.00 2.98 2.82 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 21 V 8.43 4.24 2.19 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 0.94 0.00 0.00 0.98 0.00 0.00 22 L 8.00 4.00 0.00 1.88 1.91 0.97 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.83 3.81 2.32 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 0.82 0.00 0.00 1.38 0.00 0.00 24 T 7.78 4.12 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 1.27 0.00 0.00 25 A 8.12 4.10 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.14 4.28 0.00 3.02 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 27 I 7.80 3.36 1.82 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.06 0.94 0.00 0.00 28 N 7.55 4.30 0.00 2.93 2.83 0.00 0.00 7.05 7.49 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 29 K 7.58 3.93 0.00 1.74 1.86 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.21 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.50 1.54 7.81 30 I 7.86 3.06 1.78 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 1.01 0.20 0.71 0.00 0.00 31 M 7.19 2.98 0.00 1.98 2.34 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.58 0.00 32 R 8.37 5.07 0.00 1.78 1.82 0.00 3.36 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.41 0.00 33 D 7.98 4.60 0.00 2.88 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.66 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 0.00 0.00 0.00 35 K 7.37 4.50 0.00 1.75 1.77 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.35 7.81 36 K 8.14 4.07 0.00 1.96 2.05 0.00 1.51 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.54 7.81 37 N 8.11 4.31 0.00 2.77 2.90 0.00 0.00 6.93 6.89 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 38 L 7.88 4.12 0.00 1.75 1.73 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.25 4.07 1.33 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 0.00 0.00 0.00 40 A 8.46 4.75 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 41 R 7.67 3.42 0.00 1.81 1.88 0.00 3.17 0.00 0.00 3.19 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 42 I 7.93 3.76 2.13 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 1.58 0.57 0.95 0.00 0.00 43 F 7.89 4.18 0.00 3.33 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 44 Y 5.56 3.80 0.00 1.83 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 45 D 8.06 4.22 0.00 2.91 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 46 A 8.52 4.27 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 47 C 8.24 4.13 0.00 2.81 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 48 K 7.61 4.05 0.00 1.76 1.76 0.00 1.52 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.00 7.81 49 I 8.14 3.91 1.98 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 1.87 0.85 0.92 0.00 0.00 50 I 8.23 3.73 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.26 0.94 0.00 0.00 51 Q 7.76 4.29 0.00 2.44 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.78 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 52 E 7.64 4.07 0.00 2.22 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 2.35 2.54 0.00 53 K 8.08 4.25 0.00 1.87 1.83 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.60 7.81 54 T 8.45 4.48 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 55 G 8.78 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 0.00 0.00 0.00 56 Q 8.54 4.47 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.98 6.66 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 57 E 8.91 3.96 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 58 P 0.00 4.29 0.00 2.31 2.55 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.04 0.00 59 L 7.77 3.87 0.00 0.31 0.95 0.86 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.95 4.08 0.00 1.87 1.86 0.00 1.52 0.00 0.00 1.53 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.45 7.81 61 V 7.32 3.62 2.34 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 0.92 0.00 0.00 1.04 0.00 0.00 62 F 8.29 4.43 0.00 3.19 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.85 3.74 0.00 1.98 1.83 0.00 1.48 0.00 0.00 1.52 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.42 7.81 64 Q 7.68 3.88 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.64 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 65 A 9.17 3.45 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 66 V 7.47 3.45 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 0.79 0.00 0.00 0.86 0.00 0.00 67 E 7.40 4.42 0.00 2.04 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 2.25 2.27 0.00 68 N 7.74 4.57 0.00 2.69 2.73 0.00 0.00 7.05 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 69 V 7.64 4.25 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 1.16 0.00 0.00 1.01 0.00 0.00 70 K 8.09 3.74 0.00 1.56 1.69 0.00 1.74 0.00 0.00 2.03 0.00 0.00 2.98 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.28 1.32 7.81 71 P 0.00 4.11 0.00 1.99 1.54 0.00 3.40 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.53 0.00 72 R 8.52 4.33 0.00 1.75 1.96 0.00 3.18 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 73 M 7.56 4.83 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 74 E 7.86 4.74 0.00 1.97 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 2.30 2.19 0.00 75 V 8.06 4.56 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 0.76 0.00 0.00 0.97 0.00 0.00 76 R 9.22 4.74 0.00 1.71 1.80 0.00 3.10 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 77 S 8.60 5.04 0.00 3.91 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 78 R 7.57 4.33 0.00 2.02 1.85 0.00 3.21 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.40 0.00 79 R 9.14 4.88 0.00 1.80 1.82 0.00 3.57 0.00 0.00 3.18 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 80 V 7.81 4.47 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 0.82 0.00 0.00 0.46 0.00 0.00 81 G 8.09 4.15 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 0.00 82 G 7.58 4.67 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 83 A 7.64 4.35 1.20 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 0.00 0.00 84 N 8.69 5.08 0.00 2.86 2.89 0.00 0.00 5.88 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 85 Y 8.60 4.47 0.00 2.77 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 86 Q 8.14 5.22 0.00 1.84 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.96 0.00 0.00 0.00 0.00 0.00 2.30 2.21 0.00 87 V 8.39 4.27 2.20 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 1.09 0.00 0.00 1.16 0.00 0.00 88 P 0.00 5.49 0.00 2.08 2.11 0.00 3.99 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.89 0.00 89 M 7.93 4.22 0.00 2.08 1.66 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 90 E 8.69 4.42 0.00 1.90 1.91 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 2.26 2.23 0.00 91 V 7.80 4.39 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 0.72 0.00 0.00 0.89 0.00 0.00 92 S 8.19 4.77 0.00 3.85 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 93 P 0.00 4.18 0.00 2.27 2.11 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 94 R 8.03 4.09 0.00 1.86 2.03 0.00 3.21 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 95 R 7.69 4.06 0.00 2.01 1.90 0.00 3.09 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 96 Q 8.71 3.95 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.61 2.34 0.00 97 Q 8.83 4.07 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 98 S 8.26 4.05 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 99 L 8.73 3.93 0.00 1.44 1.47 0.83 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 100 A 7.34 3.39 1.20 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 0.00 0.00 101 L 7.65 3.35 0.00 1.64 0.13 1.01 0.68 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 0.00 102 R 7.98 4.03 0.00 2.02 2.18 0.00 3.22 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.14 0.00 103 W 8.56 4.30 0.00 3.46 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 0.00 104 L 8.70 4.07 0.00 1.74 1.79 1.02 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.49 3.75 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.30 0.00 0.00 106 Q 8.10 4.08 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 107 A 7.70 3.92 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 0.00 108 A 7.81 4.11 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 N 7.87 4.74 0.00 2.99 2.86 0.00 0.00 6.83 7.34 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 0.00 110 Q 7.61 4.47 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.47 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.45 0.00 111 R 7.25 4.07 0.00 1.90 1.91 0.00 3.40 0.00 0.00 3.46 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 112 P 0.00 4.42 0.00 2.18 2.19 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 113 E 7.75 4.42 0.00 1.89 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 2.27 2.40 0.00 114 R 7.88 4.62 0.00 1.75 1.86 0.00 3.25 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 115 R 8.45 4.27 0.00 1.81 1.77 0.00 3.16 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 116 A 7.96 3.49 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 0.00 117 A 7.32 3.29 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 0.00 118 V 6.70 3.73 1.76 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 0.86 0.00 0.00 0.96 0.00 0.00 119 R 7.95 3.24 0.00 2.21 2.15 0.00 3.00 0.00 0.00 3.33 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.76 0.00 120 I 7.97 3.64 2.53 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 1.49 0.81 0.97 0.00 0.00 121 A 8.82 4.18 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 0.00 122 H 8.25 4.05 0.00 3.28 3.41 0.00 5.69 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 0.00 123 E 8.70 5.03 0.00 2.13 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 2.35 2.30 0.00 124 L 8.73 4.04 0.00 1.71 1.82 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 125 M 7.98 4.33 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.63 0.00 126 D 8.44 4.51 0.00 3.10 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 0.00 127 A 7.59 4.34 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 0.00 128 A 7.84 4.33 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 0.00 129 E 8.14 4.58 0.00 1.93 1.79 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 2.15 2.17 0.00 130 G 7.12 4.30 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 0.00 131 K 8.62 4.63 0.00 1.77 1.83 0.00 1.55 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.42 1.53 7.81 132 G 7.37 4.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 9.36 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.70 3.61 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 0.00 135 V 8.07 3.46 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 1.07 0.00 0.00 1.01 0.00 0.00 136 K 7.96 4.21 0.00 1.95 1.84 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.65 1.50 7.81 137 K 7.77 3.61 0.00 0.79 0.74 0.00 1.17 0.00 0.00 0.61 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.94 1.45 7.81 138 K 9.02 4.36 0.00 2.22 2.11 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.50 7.81 139 E 8.23 4.70 0.00 2.24 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 2.30 0.00 140 D 7.93 4.40 0.00 2.78 2.79 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 0.00 141 V 8.25 3.64 2.36 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 1.06 0.00 0.00 1.37 0.00 0.00 142 E 8.90 4.11 0.00 2.18 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 2.35 2.61 0.00 143 R 7.83 3.90 0.00 2.03 2.13 0.00 3.35 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 144 M 8.73 4.21 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 3.01 0.00 145 A 7.42 4.58 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 0.00 146 E 10.78 3.45 0.00 2.28 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 147 A 8.72 4.60 1.19 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 0.00 148 N 8.19 4.87 0.00 2.60 2.43 0.00 0.00 7.09 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 0.00 149 R 7.93 3.87 0.00 1.79 1.85 0.00 3.07 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 150 A 6.88 4.29 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 0.00 151 Y 7.21 4.80 0.00 3.15 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 0.00 152 A 8.09 3.99 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 0.00 153 H 7.15 3.91 0.00 3.23 3.39 0.00 5.73 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 7.38 4.96 0.00 3.07 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 0.00 155 R 8.56 4.09 0.00 1.80 1.84 0.00 3.32 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.76 0.00 156 W 8.10 4.04 0.00 3.62 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