NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3655 8.3001 120.3239 54.8722 34.0836 175.1042 2 A 4.5614 7.6278 118.7452 49.3542 20.8918 175.1267 3 A 3.9714 8.2054 124.3402 52.1845 20.1175 174.7881 4 R 5.7802 8.1726 117.5247 56.4699 33.2513 174.1432 5 T 4.8613 8.6480 114.1429 60.1342 72.6803 172.5586 6 D 4.9845 8.6820 122.7938 53.3537 43.5882 173.7994 7 N 5.1239 9.2173 123.5103 51.5135 42.4028 174.0602 8 S 5.0801 8.2826 117.2566 57.1431 67.2330 172.9703 9 I 4.2327 8.1251 119.6479 60.1414 41.7497 173.0116 10 V 4.6481 8.2257 127.3624 61.2239 33.3725 174.7505 11 V 4.1226 8.7236 128.4127 60.6411 32.8945 176.3896 12 N 5.4189 9.3538 128.7768 51.4051 36.7398 173.2877 13 A 4.3644 7.0229 120.1821 49.1389 23.0736 175.1151 14 P 4.5389 0.0000 0.0000 61.9850 33.4031 177.4685 15 F 4.1979 8.9658 122.6692 61.7371 39.1484 176.9090 16 E 3.6629 8.4301 118.1044 59.4462 29.3294 178.5322 17 L 3.9288 7.8200 119.3757 58.1521 42.4009 178.8017 18 V 3.6628 7.7454 118.2284 65.6975 31.4392 177.8144 19 W 3.6988 8.2820 128.2779 60.5916 30.3123 177.6581 20 D 4.3897 8.0836 117.5266 57.3321 40.5040 178.9967 21 V 3.7862 7.9713 118.8718 66.3410 31.4974 178.3514 22 T 4.2944 7.8268 107.8684 64.3633 68.5742 174.9542 23 N 4.8904 7.8087 117.1571 52.4162 39.9399 176.0595 24 D 4.4968 7.8498 123.1421 52.5741 39.6152 176.2062 25 I 2.1856 7.3323 125.5938 63.5437 37.0548 176.9712 26 E 3.8866 7.9823 118.1398 58.3090 29.8211 177.4826 27 A 4.7049 8.0481 119.1768 52.1505 19.3103 178.6163 28 W 4.7956 8.2758 118.6983 59.5505 28.8747 176.5970 29 P 5.0405 0.0000 0.0000 64.7592 30.8927 177.5995 30 E 4.4086 8.2447 115.6000 57.3411 29.8361 177.9507 31 L 4.2670 7.9174 118.1087 55.6625 42.8865 176.6817 32 F 4.7669 8.4995 116.6611 56.2243 40.2338 176.3912 33 S 4.4566 8.6015 119.9176 59.6566 63.2078 174.9060 34 E 4.3308 7.9533 117.8475 56.8828 30.8776 174.8973 35 Y 5.0296 7.6346 117.8680 57.0038 38.9436 176.2954 36 A 4.3843 9.2883 127.1360 53.8081 20.0222 177.2650 37 E 4.8533 8.0215 112.3935 54.9759 34.5363 175.4367 38 A 4.9464 8.2874 123.4185 51.2813 21.6927 175.5299 39 E 4.6225 8.9140 120.3966 54.8991 33.5553 174.9001 40 I 4.3999 8.1876 123.2459 61.2933 37.2362 175.9317 41 L 4.3813 9.0750 128.6573 57.3919 42.4897 177.5026 42 R 4.4896 7.5630 111.9691 55.4983 32.4136 174.0435 43 Q 5.1156 8.6672 121.9304 54.2585 29.7758 171.8961 44 D 4.7339 8.6278 122.2279 51.8462 41.4972 177.9721 45 G 3.6676 8.6712 114.6488 46.1023 0.0000 172.9641 46 D 4.3457 8.4051 120.2909 56.0404 39.9081 179.1898 47 G 3.7398 7.6726 110.8429 45.0437 0.0000 171.2991 48 F 4.8190 7.5735 111.6671 56.3560 41.5160 172.6158 49 D 5.7031 8.9355 120.0033 52.7048 43.4402 175.6163 50 F 5.3598 8.9542 116.7463 55.2347 42.0559 173.2277 51 R 4.7462 8.9705 121.0272 54.7032 32.4061 174.7638 52 L 4.7922 8.0515 125.1122 52.4954 45.2397 175.3480 53 K 4.8672 8.6517 124.6205 54.6171 34.7114 175.8029 54 T 4.8800 8.9811 118.9064 61.5639 70.1678 174.2024 55 R 4.5351 8.6857 121.8914 54.2573 31.8580 175.0493 56 P 4.5657 0.0000 0.0000 63.3938 31.8602 177.2153 57 D 4.7353 8.9884 124.5606 52.5991 41.2094 176.4587 58 A 4.1889 8.7366 120.8804 54.6217 18.3132 177.8955 59 N 4.8547 9.1835 112.0934 52.5227 39.4593 175.5668 60 G 3.9009 8.5260 106.5158 45.4382 0.0000 173.3372 61 R 4.2904 7.9529 120.0837 54.7421 32.0246 174.9297 62 V 4.6015 7.9674 125.4642 61.0976 33.1339 174.6786 63 W 5.0976 9.0343 127.6595 55.3150 32.1118 174.7438 64 E 5.6662 9.2417 122.3829 54.3914 32.3056 173.9573 65 W 5.7828 7.9542 121.6794 56.1903 32.1857 172.8705 66 V 4.6457 8.6432 119.5552 61.3247 33.3820 174.3571 67 S 5.0864 8.3010 121.5927 57.0314 67.8956 172.0228 68 H 5.1809 8.8301 121.4427 54.4431 32.3162 172.9221 69 R 4.6426 8.2150 125.3324 54.4174 33.7070 174.0615 70 V 4.6437 8.8756 126.0039 60.1634 33.1703 172.2328 71 P 4.8063 0.0000 0.0000 62.5307 32.8141 176.1780 72 D 4.7933 9.6682 121.7107 51.8024 41.0628 175.3106 73 K 2.4800 8.6661 124.4065 58.4157 32.7814 178.8649 74 G 3.5452 8.0862 106.3346 48.6587 0.0000 174.2163 75 S 4.3576 8.3836 113.1445 57.4939 63.7675 174.1138 76 R 3.7628 7.5896 119.5023 56.8535 27.8739 174.7815 77 T 5.7407 8.1732 110.3822 61.4225 72.2092 173.0129 78 V 5.1329 9.1866 123.4072 60.4143 35.2373 173.7983 79 R 5.2497 8.6340 121.3855 54.7630 33.5581 174.5663 80 A 5.0367 8.4624 122.5976 51.6481 23.3451 174.6818 81 H 5.1082 8.5219 112.3845 54.5214 32.1406 173.6360 82 R 4.2638 8.4885 120.4328 56.1608 29.9909 176.9633 83 V 3.9056 8.8959 123.6413 64.6572 30.8681 176.2558 84 E 4.5559 7.7746 121.7092 54.2386 28.6621 176.0209 85 T 4.0981 8.3313 114.6317 62.5810 70.1898 176.8260 86 G 3.8399 7.1097 109.2839 46.0509 0.0000 174.7111 87 P 4.2632 0.0000 0.0000 63.8699 31.4270 175.4179 88 F 4.9083 7.6465 118.2745 56.5303 39.4586 176.1550 89 A 4.3820 9.5506 125.8249 55.1534 18.9076 177.4035 90 Y 4.7178 7.4047 109.7458 56.7923 41.2033 173.6845 91 M 4.8632 8.3721 120.7781 54.6228 35.3178 172.9413 92 N 5.5880 9.7688 124.5114 51.4207 41.9217 173.8061 93 L 5.3201 9.1191 124.2070 53.7376 46.0532 174.9955 94 H 5.2128 9.5504 124.6663 55.0789 33.2647 171.8380 95 W 5.7698 9.3457 126.4280 55.2447 32.1326 175.1575 96 T 5.5622 9.0529 112.9471 60.3130 72.1190 172.2118 97 Y 5.4540 9.1068 119.9100 56.5115 41.5036 175.1994 98 R 4.7711 9.2831 122.9945 54.4712 34.0383 173.8124 99 A 4.6554 8.7463 128.3062 52.1668 19.3673 176.9034 100 V 4.3261 8.6771 114.5665 59.0802 36.0007 174.6860 101 A 3.9395 8.3443 123.3787 56.5012 17.3710 176.6831 102 G 3.8995 9.2288 110.5202 45.6379 0.0000 172.9585 103 G 4.1578 6.5029 109.7702 46.0949 0.0000 173.6136 104 T 5.1127 9.2067 123.5249 61.5161 71.6112 172.1758 105 E 4.7245 9.7183 128.7777 55.6868 31.4195 174.6495 106 M 4.8513 9.0589 126.9171 53.4797 34.8651 174.7953 107 R 4.8641 8.8136 123.5847 54.3698 33.3370 173.8369 108 W 5.4241 9.0374 127.2580 55.0244 31.5440 175.1934 109 V 5.1476 9.4261 125.0551 61.2015 34.2915 174.1463 110 Q 5.3007 9.1186 125.6002 54.2163 32.5856 174.2609 111 E 5.3348 9.4063 122.4748 54.7538 33.2490 175.1104 112 F 4.6788 8.5551 118.3494 57.0938 42.2315 172.3577 113 D 4.5537 7.8373 115.7544 53.4908 44.1327 174.5633 114 M 4.5469 8.7030 125.6538 55.0278 33.2580 176.2318 115 K 4.3568 8.8996 122.0008 55.1021 33.8668 174.9495 116 P 4.4207 0.0000 0.0000 65.8203 31.0584 176.0970 117 G 3.9793 8.9890 110.4157 45.0122 0.0000 173.2584 118 A 4.2176 8.2110 123.5996 51.0225 18.9864 177.1016 119 P 4.0214 0.0000 0.0000 64.6623 31.6966 176.9027 120 F 4.7387 7.6191 115.2841 55.1831 42.1126 174.7661 121 D 4.9218 8.2277 122.8852 51.7709 42.8418 177.1140 122 N 4.3708 8.7074 116.9047 56.6041 38.2965 177.3638 123 A 3.9801 8.0877 121.2415 55.7825 18.6766 179.3702 124 H 4.2125 8.8540 114.6937 59.1059 28.7450 177.8539 125 M 4.2234 8.5590 120.2875 58.7822 32.0797 178.3295 126 T 4.1638 8.2999 115.9094 66.6950 68.7040 176.4023 127 A 4.0254 7.9492 122.4834 55.4060 18.4414 179.1373 128 H 4.1499 8.4134 116.7644 59.5466 29.9022 177.5384 129 L 4.0214 8.4793 122.4071 57.1535 41.3128 179.2250 130 N 4.3480 8.2709 116.5320 56.5527 38.5017 177.5162 131 T 3.8372 7.8216 117.1604 66.9232 68.0849 176.8618 132 T 3.8539 7.7920 111.6399 65.0113 68.7177 176.6803 133 T 3.9674 8.2713 118.9905 66.5043 68.5186 176.8236 134 R 3.7426 8.1614 119.8675 59.1081 30.0952 179.0235 135 A 3.9093 7.8884 120.5164 55.1837 18.2997 179.5160 136 N 4.1227 8.2839 115.1416 56.7006 38.6542 177.6725 137 M 3.4187 8.0101 120.4456 58.0696 31.9148 178.7384 138 E 3.8351 7.9002 118.9252 59.1953 29.6124 179.3414 139 R 3.8234 7.7609 118.7473 59.3822 30.0600 178.6864 140 I 3.6203 7.7392 119.8918 63.9126 36.9504 178.2337 141 K 3.7860 7.8890 120.5544 59.3117 31.9959 178.6966 142 K 3.8592 7.8161 119.5638 59.5559 32.1330 178.6981 143 I 3.6805 7.6773 119.9326 64.4909 36.9679 178.5272 144 I 3.7087 7.9185 120.6035 64.5588 36.9169 178.3791 145 E 3.9946 8.3896 119.5031 59.4643 29.2243 179.3065 146 D 4.3461 8.3078 119.0051 57.4266 40.6970 178.9273 147 R 4.0843 7.7615 117.3719 59.4743 29.8316 178.3294 148 H 4.3349 8.5163 118.1674 59.5309 29.8677 177.6800 149 R 4.1007 8.4171 120.0323 59.0197 29.9312 178.9298 150 E 4.1306 8.2339 118.9661 59.1272 29.1631 178.6618 151 G 3.8679 7.4503 104.2720 46.0499 0.0000 173.7998 152 Q 4.5520 7.7519 116.1359 55.4206 29.0477 176.3161 153 R 4.6138 7.4825 114.0555 55.9934 32.1367 176.8238 154 T 4.1145 8.0227 114.9396 65.5601 68.9974 172.8196 155 P 4.4218 0.0000 0.0000 62.9225 31.5398 175.8400 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 8.30 4.37 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 2 A 7.63 4.56 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 3 A 8.21 3.97 -0.06 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 4 R 8.17 5.78 0.00 1.89 1.76 0.00 3.04 0.00 0.00 3.97 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 5 T 8.65 4.86 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 1.42 0.00 0.00 6 D 8.68 4.98 0.00 2.70 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 7 N 9.22 5.12 0.00 2.56 2.47 0.00 0.00 6.44 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 8 S 8.28 5.08 0.00 3.61 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.13 4.23 1.55 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.62 0.54 0.00 0.00 10 V 8.23 4.65 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 0.81 0.00 0.00 0.90 0.00 0.00 11 V 8.72 4.12 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 0.90 0.00 0.00 0.87 0.00 0.00 12 N 9.35 5.42 0.00 2.78 2.79 0.00 0.00 6.69 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 13 A 7.02 4.36 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.54 0.00 2.21 2.03 0.00 3.53 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 15 F 8.97 4.20 0.00 3.19 3.14 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 16 E 8.43 3.66 0.00 2.18 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 2.41 2.47 0.00 17 L 7.82 3.93 0.00 1.82 1.79 0.95 0.89 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 18 V 7.75 3.66 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 1.23 0.00 0.00 1.05 0.00 0.00 19 W 8.28 3.70 0.00 2.19 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 20 D 8.08 4.39 0.00 2.72 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 21 V 7.97 3.79 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 1.12 0.00 0.00 1.02 0.00 0.00 22 T 7.83 4.29 4.70 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 1.45 0.00 0.00 23 N 7.81 4.89 0.00 2.25 2.51 0.00 0.00 6.91 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.85 4.50 0.00 2.93 2.77 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 0.00 0.00 0.00 25 I 7.33 2.19 1.22 0.00 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.24 0.05 0.00 0.00 26 E 7.98 3.89 0.00 1.82 1.92 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 2.23 2.27 0.00 27 A 8.05 4.70 1.51 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 0.00 0.00 28 W 8.28 4.80 0.00 3.53 3.37 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 29 P 0.00 5.04 0.00 2.13 2.47 0.00 3.91 0.00 0.00 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 30 E 8.24 4.41 0.00 2.16 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 2.44 0.00 31 L 7.92 4.27 0.00 1.85 1.54 1.18 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.50 4.77 0.00 3.18 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 33 S 8.60 4.46 0.00 3.82 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 34 E 7.95 4.33 0.00 1.93 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 2.04 1.47 0.00 35 Y 7.63 5.03 0.00 3.09 2.89 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 36 A 9.29 4.38 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 37 E 8.02 4.85 0.00 1.84 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 0.00 2.30 2.31 0.00 38 A 8.29 4.95 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 39 E 8.91 4.62 0.00 1.95 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 2.12 2.22 0.00 40 I 8.19 4.40 1.69 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.23 0.83 0.00 0.00 41 L 9.07 4.38 0.00 1.53 1.72 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.56 4.49 0.00 1.85 1.98 0.00 3.11 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 43 Q 8.67 5.12 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.84 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 44 D 8.63 4.73 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 45 G 8.67 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 46 D 8.41 4.35 0.00 2.84 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 47 G 7.67 3.74 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 0.00 0.00 0.00 48 F 7.57 4.82 0.00 3.28 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 49 D 8.94 5.70 0.00 2.68 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.95 5.36 0.00 3.08 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 51 R 8.97 4.75 0.00 1.75 1.69 0.00 3.19 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.43 0.00 52 L 8.05 4.79 0.00 0.27 0.39 0.48 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.65 4.87 0.00 1.71 1.60 0.00 1.79 0.00 0.00 1.90 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.35 7.81 54 T 8.98 4.88 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 1.59 0.00 0.00 55 R 8.69 4.54 0.00 1.77 1.96 0.00 3.23 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 1.70 1.82 0.00 56 P 0.00 4.57 0.00 1.97 2.03 0.00 3.72 0.00 0.00 3.75 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 57 D 8.99 4.74 0.00 3.08 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 58 A 8.74 4.19 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 59 N 9.18 4.85 0.00 2.88 2.88 0.00 0.00 7.02 7.58 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 60 G 8.53 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 61 R 7.95 4.29 0.00 1.81 2.10 0.00 2.82 0.00 0.00 2.86 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 62 V 7.97 4.60 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 0.96 0.00 0.00 0.92 0.00 0.00 63 W 9.03 5.10 0.00 3.74 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 9.24 5.67 0.00 1.95 1.83 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 2.15 2.20 0.00 65 W 7.95 5.78 0.00 3.53 3.34 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 66 V 8.64 4.65 2.08 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 0.82 0.00 0.00 0.91 0.00 0.00 67 S 8.30 5.09 0.00 2.95 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.83 5.18 0.00 3.06 2.74 0.00 5.72 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.21 4.64 0.00 1.54 0.66 0.00 2.59 0.00 0.00 2.44 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.13 0.00 70 V 8.88 4.64 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 0.99 0.00 0.00 0.81 0.00 0.00 71 P 0.00 4.81 0.00 2.48 2.07 0.00 3.81 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 72 D 9.67 4.79 0.00 2.79 2.77 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 0.00 0.00 0.00 73 K 8.67 2.48 0.00 1.39 1.55 0.00 1.49 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.12 0.21 7.81 74 G 8.09 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 75 S 8.38 4.36 0.00 3.97 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 76 R 7.59 3.76 0.00 2.04 2.11 0.00 2.74 0.00 0.00 2.39 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.15 0.00 77 T 8.17 5.74 4.49 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 1.38 0.00 0.00 78 V 9.19 5.13 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 0.82 0.00 0.00 0.74 0.00 0.00 79 R 8.63 5.25 0.00 1.74 1.81 0.00 3.28 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 80 A 8.46 5.04 1.05 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 81 H 8.52 5.11 0.00 3.33 3.37 0.00 5.46 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.49 4.26 0.00 1.62 1.80 0.00 2.60 0.00 0.00 2.25 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.07 0.00 83 V 8.90 3.91 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 0.78 0.00 0.00 0.91 0.00 0.00 84 E 7.77 4.56 0.00 2.21 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 2.37 2.32 0.00 85 T 8.33 4.10 4.45 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 1.27 0.00 0.00 86 G 7.11 3.84 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 0.00 0.00 0.00 87 P 0.00 4.26 0.00 1.73 2.03 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.33 0.00 88 F 7.65 4.91 0.00 3.00 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 89 A 9.55 4.38 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 90 Y 7.40 4.72 0.00 3.03 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 91 M 8.37 4.86 0.00 1.65 0.96 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.96 0.00 92 N 9.77 5.59 0.00 2.78 2.75 0.00 0.00 6.01 6.73 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 93 L 9.12 5.32 0.00 1.63 1.54 0.79 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 94 H 9.55 5.21 0.00 3.27 3.23 0.00 5.61 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 W 9.35 5.77 0.00 3.39 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 96 T 9.05 5.56 4.40 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 1.26 0.00 0.00 97 Y 9.11 5.45 0.00 3.22 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 98 R 9.28 4.77 0.00 1.90 1.76 0.00 3.12 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 99 A 8.75 4.66 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 0.00 100 V 8.68 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 0.88 0.00 0.00 1.00 0.00 0.00 101 A 8.34 3.94 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 0.00 102 G 9.23 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 0.00 103 G 6.50 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 T 9.21 5.11 4.39 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 1.59 0.00 0.00 105 E 9.72 4.72 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 106 M 9.06 4.85 0.00 1.56 1.56 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.22 0.00 107 R 8.81 4.86 0.00 1.83 1.77 0.00 3.06 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 108 W 9.04 5.42 0.00 3.07 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 0.00 109 V 9.43 5.15 2.25 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 1.22 0.00 0.00 1.07 0.00 0.00 110 Q 9.12 5.30 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.53 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 111 E 9.41 5.33 0.00 2.02 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 2.47 0.00 112 F 8.56 4.68 0.00 3.04 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.84 4.55 0.00 2.46 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 0.00 0.00 0.00 114 M 8.70 4.55 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.62 0.00 115 K 8.90 4.36 0.00 1.74 1.71 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.48 1.48 7.81 116 P 0.00 4.42 0.00 2.17 2.10 0.00 3.75 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 1.99 1.97 0.00 117 G 8.99 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 0.00 118 A 8.21 4.22 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 0.00 119 P 0.00 4.02 0.00 2.37 2.27 0.00 3.61 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.21 0.00 120 F 7.62 4.74 0.00 2.63 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 0.00 121 D 8.23 4.92 0.00 2.87 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 0.00 122 N 8.71 4.37 0.00 2.76 2.84 0.00 0.00 6.68 7.82 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 0.00 123 A 8.09 3.98 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 0.00 124 H 8.85 4.21 0.00 3.47 3.50 0.00 5.82 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 M 8.56 4.22 0.00 2.50 2.16 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 126 T 8.30 4.16 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 1.36 0.00 0.00 127 A 7.95 4.03 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 0.00 128 H 8.41 4.15 0.00 3.39 3.50 0.00 5.79 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 0.00 129 L 8.48 4.02 0.00 1.71 1.66 0.27 0.35 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 0.00 130 N 8.27 4.35 0.00 3.02 2.87 0.00 0.00 7.00 6.85 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 0.00 131 T 7.82 3.84 4.37 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 1.21 0.00 0.00 132 T 7.79 3.85 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 1.04 0.00 0.00 133 T 8.27 3.97 4.46 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 1.22 0.00 0.00 134 R 8.16 3.74 0.00 1.95 1.88 0.00 3.08 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.81 0.00 135 A 7.89 3.91 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 0.00 136 N 8.28 4.12 0.00 2.89 2.67 0.00 0.00 7.05 7.81 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 0.00 137 M 8.01 3.42 0.00 1.40 1.67 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.81 0.00 138 E 7.90 3.84 0.00 2.12 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 2.21 2.23 0.00 139 R 7.76 3.82 0.00 1.90 1.91 0.00 3.04 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 140 I 7.74 3.62 1.61 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.24 0.84 0.00 0.00 141 K 7.89 3.79 0.00 1.74 1.94 0.00 1.63 0.00 0.00 1.47 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.47 7.81 142 K 7.82 3.86 0.00 1.97 1.87 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.59 7.81 143 I 7.68 3.68 1.97 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 0.49 0.92 0.00 0.00 144 I 7.92 3.71 1.87 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 1.55 0.80 0.93 0.00 0.00 145 E 8.39 3.99 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 2.33 2.53 0.00 146 D 8.31 4.35 0.00 2.85 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 0.00 147 R 7.76 4.08 0.00 1.99 2.02 0.00 3.35 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.81 0.00 148 H 8.52 4.33 0.00 3.24 3.50 0.00 5.78 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 0.00 149 R 8.42 4.10 0.00 1.86 1.95 0.00 3.18 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 150 E 8.23 4.13 0.00 2.24 1.99 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 2.33 2.49 0.00 151 G 7.45 3.87 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 0.00 0.00 0.00 152 Q 7.75 4.55 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.30 6.64 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 153 R 7.48 4.61 0.00 1.84 1.89 0.00 3.15 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 154 T 8.02 4.11 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 1.21 0.00 0.00 155 P 0.00 4.42 0.00 2.17 2.03 0.00 3.79 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 1.98 1.96 0.00