NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4234 8.3049 120.3486 54.8272 33.1045 175.2314 2 L 3.9610 8.4791 126.6861 54.7188 42.1529 175.8527 3 K 4.3480 8.6785 120.3892 56.8639 33.6833 176.0805 4 Q 4.6168 7.5124 119.3776 53.9457 32.5561 174.4534 5 V 4.0977 8.8403 125.9577 62.7188 33.0745 174.3681 6 E 4.9621 8.6623 127.3967 54.5794 32.1689 175.0161 7 I 5.0347 8.0624 124.3602 59.4359 41.1989 174.5108 8 F 5.9161 9.5866 124.3258 54.9099 42.7240 174.1009 9 T 5.3934 8.6424 111.7448 60.6661 72.1093 172.2476 10 D 4.8676 9.1251 121.3052 53.5771 45.2694 174.0280 11 G 4.7343 8.5426 108.3938 45.0648 0.0000 171.6503 12 S 4.9048 9.3907 115.7416 57.1482 66.5984 172.2821 13 C 5.0485 8.2963 122.7542 58.5623 33.7104 173.9219 14 L 4.2634 8.8900 126.0129 56.5804 41.9177 176.4980 15 G 4.0812 7.4846 104.7065 45.0120 0.0000 171.9409 16 N 5.0393 8.2080 114.1834 51.9377 39.1771 173.1247 17 P 4.6069 0.0000 0.0000 62.1080 33.6434 175.3169 18 G 4.0725 8.6993 106.7845 44.8300 0.0000 170.6035 19 P 4.8959 0.0000 0.0000 62.2751 32.3166 176.4442 20 G 4.4938 9.6693 110.6053 45.6984 0.0000 170.9510 21 G 5.0257 8.9508 106.5052 45.7251 0.0000 171.5696 22 Y 5.5386 8.3478 117.0642 55.2310 42.2275 174.6549 23 G 4.6296 9.3126 106.1629 44.7472 0.0000 171.5323 24 A 5.5984 9.4701 125.0292 50.3550 23.3384 174.8497 25 I 5.0511 9.2890 121.7973 59.4197 40.8840 174.3395 26 L 5.1419 9.4429 128.9388 53.4188 45.1368 175.2384 27 R 5.0223 9.4995 126.3597 55.0037 31.4985 174.4562 28 Y 5.0113 8.6873 125.0252 55.7134 42.8386 175.2662 29 R 3.3968 8.8659 124.2694 57.8380 28.9893 177.2374 30 G 4.0146 8.8431 114.6486 46.0703 0.0000 172.1359 31 R 4.5169 7.9396 119.0286 54.0164 32.8123 174.4118 32 E 4.9982 8.5280 119.6952 54.8111 31.2204 174.8073 33 K 4.5390 9.4984 127.7458 55.0337 34.6178 175.8099 34 T 5.0512 8.0813 120.0817 61.7341 71.2364 173.3504 35 F 4.9884 9.1114 124.8494 55.9175 42.4356 174.4312 36 S 4.8295 8.8679 114.9924 57.9876 65.2296 173.2050 37 A 4.4902 7.3533 126.6025 50.5821 22.7742 174.9100 38 G 4.3181 8.4426 106.6410 44.5593 0.0000 171.6133 39 Y 5.3201 9.5917 121.2653 55.8803 40.5110 177.0228 40 T 3.8756 8.6801 114.1419 64.5861 70.1756 173.8380 41 R 4.5389 7.8242 122.3436 55.8054 32.2865 173.4523 42 T 4.1916 9.0513 123.9322 61.5017 71.1413 172.1512 43 T 4.8203 8.1206 108.6613 59.0788 72.3447 174.1066 44 N 4.2541 8.7213 120.2719 57.1480 39.0399 176.8350 45 N 4.1256 7.9068 117.2405 56.2443 38.4308 177.5170 46 R 3.8760 7.6724 119.4475 59.3072 30.1347 178.9827 47 M 4.0232 7.8710 118.2039 58.4374 31.6002 178.6532 48 E 4.0594 8.3425 118.7521 59.3411 29.6003 179.4810 49 L 4.0876 7.7808 118.6817 57.7661 41.7082 178.9665 50 M 3.7708 8.0563 118.1314 58.2906 31.9067 177.9612 51 A 3.5457 7.9351 120.6653 55.1598 18.6045 179.4683 52 A 3.9238 7.4124 119.3098 55.2783 18.4133 179.6208 53 I 3.5098 7.6087 118.2383 64.6711 37.0025 178.6693 54 V 3.2667 7.2148 117.2801 65.8774 31.0620 177.6190 55 A 3.8168 7.3719 120.4328 55.0547 18.2286 179.6809 56 L 3.7847 7.7305 117.4667 57.8796 41.5373 179.4507 57 E 4.0511 8.0190 116.5881 58.4678 29.3866 178.6356 58 A 4.2976 7.2513 119.2543 52.9696 18.6236 177.4380 59 L 3.6933 7.1178 118.2873 54.5268 41.6741 177.1322 60 K 4.4024 8.4673 123.4087 56.4863 32.6064 175.8010 61 E 4.6429 7.6468 115.5989 54.5927 32.7124 174.0728 62 H 4.6505 8.3677 116.4370 55.5322 29.2046 174.9514 63 C 5.0251 9.0801 119.6966 57.9451 33.0513 172.5059 64 E 4.9202 8.5784 119.3606 55.0757 30.8282 175.5014 65 V 4.7599 9.0037 124.8171 60.8088 35.5222 173.9743 66 I 4.5592 8.6622 126.0800 59.0049 40.6861 173.5815 67 L 4.7445 8.4100 132.1706 53.0609 44.5319 174.6600 68 S 5.1551 8.7888 122.0183 56.8240 64.9899 172.5097 69 T 4.9549 8.7337 119.8202 61.2569 71.4000 173.1255 70 D 5.7146 8.7486 125.1799 52.7081 40.2819 175.6255 71 S 4.5735 8.1461 115.7233 58.4569 63.0491 174.4408 72 Q 3.8334 8.7300 130.6510 59.2726 29.0024 177.1968 73 Y 4.1495 7.5339 122.4167 60.7045 38.8154 178.2157 74 V 3.7113 8.0945 119.2618 65.8785 31.5835 177.9553 75 R 2.5100 7.3438 117.9664 58.8349 29.6680 178.4618 76 Q 3.2440 7.7029 118.2020 58.4178 28.4978 179.0673 77 G 2.6261 6.7909 106.3266 47.5051 0.0000 175.7544 78 I 3.4767 7.1759 121.7920 63.7885 37.1347 178.0816 79 T 4.0467 7.3473 108.9827 62.8961 69.2199 175.5520 80 Q 4.2541 7.6955 118.3544 55.0620 31.5971 176.7167 81 W 3.8779 6.9464 116.1397 58.2490 30.0858 177.9979 82 I 3.2983 6.8848 120.0501 64.6784 36.5010 177.3239 83 H 3.8389 7.9640 118.0668 59.6936 29.6954 176.7988 84 N 4.3756 7.7470 117.2464 55.7871 38.3316 177.4319 85 W 4.2177 7.5441 120.6615 59.4789 28.8131 178.7758 86 K 3.0786 7.5602 118.4839 58.8941 31.1650 179.6431 87 K 4.0126 7.2418 116.8985 59.0932 32.0861 178.7318 88 R 4.3327 7.5945 114.8018 55.5297 30.2842 176.8381 89 G 3.8430 7.5237 105.4660 46.1589 0.0000 173.7424 90 W 3.3741 8.4892 116.8416 57.7744 26.7752 174.2096 91 K 5.0206 7.7415 115.1323 54.6591 35.4993 176.6620 92 T 4.2649 8.7082 111.8667 60.6253 69.8013 175.7702 93 A 4.0478 8.4663 124.4558 54.5782 18.4487 178.0329 94 D 4.6818 7.9818 113.6567 52.8714 39.6974 175.5763 95 N 4.1910 7.9085 115.8916 55.5605 37.5418 173.6551 96 K 4.6859 7.8045 114.3905 53.0595 35.6886 174.0996 97 P 4.7630 0.0000 0.0000 62.7849 31.8897 177.2363 98 V 3.5702 8.1807 116.4483 60.8058 32.8555 175.5457 99 K 4.0522 8.2933 124.6309 57.1912 32.8386 176.2219 100 N 4.4322 9.0399 124.0719 54.2320 36.2934 176.5502 101 V 3.5816 7.5500 121.2066 65.0623 30.8436 177.0494 102 D 4.2182 7.9796 118.9711 56.5048 39.1372 178.6939 103 L 3.8881 7.6943 120.4229 56.8982 41.7550 179.2883 104 W 4.5276 8.2209 118.9598 60.0145 29.0418 178.6648 105 Q 3.5956 8.0383 118.1042 58.5856 27.8922 178.7188 106 R 3.8154 7.6908 119.7178 59.2137 30.1166 178.2807 107 L 4.0093 8.4817 120.4324 58.2917 42.1217 178.0979 108 D 4.5817 8.5408 117.8402 57.7083 40.8834 178.3056 109 A 4.0528 7.8721 119.4420 55.2756 18.3360 179.2135 110 A 4.1392 7.8255 119.3243 55.0495 18.3269 179.8433 111 L 4.1797 8.3939 117.9865 57.9337 41.6039 179.5078 112 G 3.8915 7.9139 102.5087 46.2886 0.0000 174.4587 113 Q 4.4999 7.8236 119.2060 55.6544 29.2243 174.1118 114 H 4.9953 7.4751 115.6941 54.2267 33.8441 172.8166 115 Q 4.5034 8.9108 118.6842 54.8242 29.9587 175.0108 116 I 4.6008 8.2650 125.1051 59.0704 39.7791 175.1335 117 K 4.4132 8.5363 128.0800 54.3946 34.3864 174.5580 118 W 4.5569 8.5920 127.4328 55.1026 31.0106 175.5868 119 E 4.1576 8.5697 125.1483 54.1283 31.6291 174.9018 120 W 5.1297 8.5361 128.2574 56.2867 28.7850 176.7610 121 V 4.2599 8.6345 118.3552 60.2082 33.4552 175.4543 122 K 4.7733 8.4318 121.3364 54.8563 33.6315 177.9845 123 G 4.1677 9.0528 112.8249 47.1608 0.0000 174.1549 124 H 4.5651 8.2281 111.7884 55.7649 29.2795 174.9682 125 A 4.5709 7.8578 123.5049 51.3714 18.9049 175.3789 126 G 3.9479 7.7072 110.6259 44.5925 0.0000 172.5682 127 H 4.6725 8.6873 117.1302 54.0296 30.1672 175.0403 128 P 4.2641 0.0000 0.0000 66.0256 30.9919 178.8772 129 E 3.7931 7.7685 116.9270 58.9687 29.2823 178.9553 130 N 4.4742 7.9232 116.4172 56.3105 38.6548 177.1728 131 E 3.9739 8.1577 119.5227 59.4758 29.5102 179.1110 132 R 3.8797 7.8526 118.2601 59.6977 30.0761 178.2215 133 C 4.1625 7.9956 115.9515 62.8603 28.1574 175.5436 134 D 4.4183 8.0446 119.2508 57.5332 40.8722 178.1610 135 E 3.9783 8.2999 118.9421 59.5429 29.4581 179.4747 136 L 4.0062 8.3579 119.1156 57.5617 41.6316 179.3891 137 A 3.9244 8.6669 121.1273 55.1723 18.1182 179.9221 138 R 3.8280 7.9550 115.1308 59.4087 30.4447 178.7918 139 A 4.1060 8.0827 120.2791 55.1416 18.3726 179.5238 140 A 3.8758 8.2038 119.0900 55.2579 18.2419 179.7417 141 A 4.1660 7.8493 118.0721 55.1887 18.4797 179.1150 142 M 4.2926 7.5775 115.4135 56.3971 33.6098 176.3867 143 N 4.9632 7.7478 116.9299 51.1806 39.2148 171.5538 144 P 4.4716 0.0000 0.0000 62.5693 32.6509 177.2172 145 T 4.4389 8.3436 109.9210 60.7846 70.5162 173.4815 146 L 4.5693 7.2920 121.5217 52.7817 44.4699 174.1706 147 E 4.8432 8.4388 120.2237 54.6494 31.1892 175.4061 148 D 4.8269 8.5605 125.9682 52.9044 40.2805 176.4777 149 T 3.9071 8.5517 122.4781 66.3872 68.6872 175.9443 150 G 4.0818 8.0086 105.8138 45.4040 0.0000 172.7246 151 Y 4.2719 7.5091 121.9866 57.1016 39.4172 174.8024 152 Q 4.1165 7.0541 124.3427 53.6519 32.5847 175.5087 153 V 3.6637 7.6677 122.2105 65.8458 32.7174 178.5957 154 E 4.4042 7.6887 118.2356 55.5741 28.6945 176.9022 155 V 3.6625 8.2116 126.9682 63.9391 31.5266 175.4268 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 4.42 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 2 L 8.48 3.96 0.00 1.78 1.77 0.98 0.67 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 3 K 8.68 4.35 0.00 1.73 1.84 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.36 7.81 4 Q 7.51 4.62 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.94 0.00 0.00 0.00 0.00 0.00 2.15 2.41 0.00 5 V 8.84 4.10 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 0.61 0.00 0.00 0.98 0.00 0.00 6 E 8.66 4.96 0.00 1.96 1.64 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 2.13 2.23 0.00 7 I 8.06 5.03 1.60 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.87 0.84 0.00 0.00 8 F 9.59 5.92 0.00 3.03 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 9 T 8.64 5.39 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 10 D 9.13 4.87 0.00 2.84 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 11 G 8.54 4.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 9.39 4.90 0.00 3.86 3.68 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 13 C 8.30 5.05 0.00 2.99 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 14 L 8.89 4.26 0.00 1.67 1.70 0.92 0.70 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 15 G 7.48 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 0.00 0.00 0.00 16 N 8.21 5.04 0.00 2.66 2.68 0.00 0.00 6.86 7.69 0.00 0.00 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 P 0.00 4.61 0.00 1.67 1.51 0.00 3.88 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 1.92 2.03 0.00 18 G 8.70 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 19 P 0.00 4.90 0.00 2.17 1.98 0.00 3.84 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.92 0.00 20 G 9.67 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 0.00 0.00 0.00 0.00 21 G 8.95 5.03 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 0.00 0.00 0.00 22 Y 8.35 5.54 0.00 3.16 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 23 G 9.31 4.63 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 24 A 9.47 5.60 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 25 I 9.29 5.05 2.08 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.88 1.02 0.00 0.00 26 L 9.44 5.14 0.00 1.86 1.77 0.86 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 27 R 9.50 5.02 0.00 1.85 1.94 0.00 3.19 0.00 0.00 3.15 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 28 Y 8.69 5.01 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 29 R 8.87 3.40 0.00 1.63 0.85 0.00 3.05 0.00 0.00 2.76 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.83 0.00 30 G 8.84 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.94 4.52 0.00 1.89 1.83 0.00 3.07 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 32 E 8.53 5.00 0.00 1.95 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.34 0.00 33 K 9.50 4.54 0.00 1.74 1.27 0.00 1.85 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.40 7.81 34 T 8.08 5.05 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 1.27 0.00 0.00 35 F 9.11 4.99 0.00 3.32 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 36 S 8.87 4.83 0.00 3.80 3.59 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 37 A 7.35 4.49 1.09 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 0.00 0.00 38 G 8.44 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 39 Y 9.59 5.32 0.00 2.79 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 40 T 8.68 3.88 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 1.27 0.00 0.00 41 R 7.82 4.54 0.00 1.76 1.80 0.00 3.25 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.51 0.00 42 T 9.05 4.19 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 1.23 0.00 0.00 43 T 8.12 4.82 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 1.29 0.00 0.00 44 N 8.72 4.25 0.00 2.83 2.81 0.00 0.00 6.91 6.71 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 45 N 7.91 4.13 0.00 2.34 1.45 0.00 0.00 7.11 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 46 R 7.67 3.88 0.00 1.85 1.85 0.00 3.39 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 47 M 7.87 4.02 0.00 2.34 2.29 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.80 0.00 48 E 8.34 4.06 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 49 L 7.78 4.09 0.00 1.70 1.44 0.11 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.06 3.77 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.43 0.00 51 A 7.94 3.55 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.41 3.92 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.61 3.51 1.83 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.63 0.81 0.00 0.00 54 V 7.21 3.27 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 0.35 0.00 0.00 0.63 0.00 0.00 55 A 7.37 3.82 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 56 L 7.73 3.78 0.00 1.77 1.65 0.93 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 57 E 8.02 4.05 0.00 1.86 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 2.30 2.41 0.00 58 A 7.25 4.30 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 L 7.12 3.69 0.00 1.58 1.35 0.49 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.47 4.40 0.00 1.84 1.91 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.61 7.81 61 E 7.65 4.64 0.00 2.02 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 2.27 2.34 0.00 62 H 8.37 4.65 0.00 3.08 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 9.08 5.03 0.00 2.75 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 64 E 8.58 4.92 0.00 1.88 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 2.31 2.28 0.00 65 V 9.00 4.76 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 0.76 0.00 0.00 0.71 0.00 0.00 66 I 8.66 4.56 1.70 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.23 0.81 0.00 0.00 67 L 8.41 4.74 0.00 1.05 0.55 0.60 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.79 5.16 0.00 3.87 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.73 4.95 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 1.67 0.00 0.00 70 D 8.75 5.71 0.00 2.99 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 71 S 8.15 4.57 0.00 4.09 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 72 Q 8.73 3.83 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 73 Y 7.53 4.15 0.00 3.28 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 74 V 8.09 3.71 2.24 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 1.17 0.00 0.00 1.03 0.00 0.00 75 R 7.34 2.51 0.00 0.67 1.25 0.00 2.37 0.00 0.00 2.59 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.50 0.00 76 Q 7.70 3.24 0.00 1.42 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 1.91 2.04 0.00 77 G 6.79 2.63 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 78 I 7.18 3.48 1.42 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 1.56 -0.28 0.45 0.00 0.00 79 T 7.35 4.05 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 1.05 0.00 0.00 80 Q 7.70 4.25 0.00 1.38 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.79 0.00 0.00 0.00 0.00 0.00 2.04 1.88 0.00 81 W 6.95 3.88 0.00 1.78 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 0.00 0.00 0.00 82 I 6.88 3.30 1.77 0.00 0.00 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 1.49 0.43 0.88 0.00 0.00 83 H 7.96 3.84 0.00 3.13 3.20 0.00 5.86 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 84 N 7.75 4.38 0.00 2.62 2.73 0.00 0.00 7.08 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 85 W 7.54 4.22 0.00 2.80 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 0.00 0.00 0.00 86 K 7.56 3.08 0.00 1.70 1.70 0.00 1.67 0.00 0.00 1.51 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 0.95 7.81 87 K 7.24 4.01 0.00 1.87 1.80 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.53 7.81 88 R 7.59 4.33 0.00 1.90 1.95 0.00 3.25 0.00 0.00 3.22 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 89 G 7.52 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 90 W 8.49 3.37 0.00 3.50 3.17 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 0.00 0.00 0.00 0.00 91 K 7.74 5.02 0.00 1.69 1.65 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.39 7.81 92 T 8.71 4.26 4.20 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 1.14 0.00 0.00 93 A 8.47 4.05 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 94 D 7.98 4.68 0.00 2.77 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 95 N 7.91 4.19 0.00 2.88 2.96 0.00 0.00 6.86 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 96 K 7.80 4.69 0.00 1.77 1.61 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.33 7.81 97 P 0.00 4.76 0.00 1.87 1.93 0.00 3.63 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 98 V 8.18 3.57 1.31 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 -0.04 0.00 0.00 0.38 0.00 0.00 99 K 8.29 4.05 0.00 1.77 1.84 0.00 2.07 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.48 7.81 100 N 9.04 4.43 0.00 3.22 2.90 0.00 0.00 6.86 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 0.00 101 V 7.55 3.58 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 0.73 0.00 0.00 0.64 0.00 0.00 102 D 7.98 4.22 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 0.00 103 L 7.69 3.89 0.00 1.65 1.53 0.80 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 104 W 8.22 4.53 0.00 3.42 3.54 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 0.00 105 Q 8.04 3.60 0.00 1.85 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 106 R 7.69 3.82 0.00 1.92 2.01 0.00 3.06 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 107 L 8.48 4.01 0.00 1.84 2.03 1.05 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.54 4.58 0.00 3.34 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 0.00 109 A 7.87 4.05 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 0.00 110 A 7.83 4.14 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 0.00 111 L 8.39 4.18 0.00 2.09 1.92 1.29 1.08 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 0.00 112 G 7.91 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 0.00 0.00 0.00 113 Q 7.82 4.50 0.00 1.83 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 114 H 7.48 5.00 0.00 2.88 3.25 0.00 5.83 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.91 4.50 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 116 I 8.27 4.60 1.74 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.55 -0.22 0.00 0.00 117 K 8.54 4.41 0.00 1.67 1.58 0.00 1.51 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.19 1.30 7.81 118 W 8.59 4.56 0.00 2.72 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 0.00 0.00 0.00 119 E 8.57 4.16 0.00 1.83 1.64 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 2.18 2.22 0.00 120 W 8.54 5.13 0.00 3.26 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 0.00 121 V 8.63 4.26 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 0.80 0.00 0.00 1.04 0.00 0.00 122 K 8.43 4.77 0.00 1.69 1.67 0.00 1.85 0.00 0.00 1.89 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.40 7.81 123 G 9.05 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 H 8.23 4.57 0.00 3.31 3.45 0.00 5.49 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.86 4.57 1.09 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 0.00 0.00 126 G 7.71 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 0.00 0.00 0.00 127 H 8.69 4.67 0.00 3.22 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.26 0.00 2.06 2.06 0.00 3.58 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 129 E 7.77 3.79 0.00 1.16 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 1.47 1.97 0.00 130 N 7.92 4.47 0.00 3.01 2.96 0.00 0.00 6.92 6.94 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 0.00 131 E 8.16 3.97 0.00 2.00 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 2.41 2.61 0.00 132 R 7.85 3.88 0.00 2.08 2.03 0.00 3.06 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 1.61 1.66 0.00 133 C 8.00 4.16 0.00 3.34 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 0.00 134 D 8.04 4.42 0.00 3.03 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 0.00 135 E 8.30 3.98 0.00 2.27 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 2.36 0.00 136 L 8.36 4.01 0.00 1.86 1.71 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.67 3.92 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 7.96 3.83 0.00 2.01 2.01 0.00 3.19 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 139 A 8.08 4.11 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 0.00 140 A 8.20 3.88 1.27 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 0.00 141 A 7.85 4.17 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 0.00 142 M 7.58 4.29 0.00 1.97 2.24 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.89 0.00 143 N 7.75 4.96 0.00 2.60 2.63 0.00 0.00 7.19 6.99 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 0.00 144 P 0.00 4.47 0.00 2.22 2.11 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 145 T 8.34 4.44 4.17 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 0.00 0.00 0.00 1.15 0.00 0.00 146 L 7.29 4.57 0.00 0.85 1.33 0.62 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.44 4.84 0.00 1.94 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 2.28 2.33 0.00 148 D 8.56 4.83 0.00 2.77 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 0.00 149 T 8.55 3.91 4.28 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 1.23 0.00 0.00 150 G 8.01 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 0.00 0.00 0.00 151 Y 7.51 4.27 0.00 3.05 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 0.00 152 Q 7.05 4.12 0.00 1.73 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.85 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 153 V 7.67 3.66 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 0.77 0.00 0.00 0.97 0.00 0.00 154 E 7.69 4.40 0.00 1.85 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 155 V 8.21 3.66 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 0.68 0.00 0.00 0.87 0.00 0.00