NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2052 8.2649 123.5835 51.3904 19.8516 175.9206 3 R 4.4681 8.5455 120.1958 56.0297 29.6320 173.8076 4 I 3.9125 8.1798 127.0513 61.5755 38.7233 178.2454 5 A 4.3797 8.2197 125.4492 51.5122 20.9546 176.9809 6 G 4.1003 8.1326 108.1368 46.3102 0.0000 173.6832 7 V 3.4187 8.1805 120.3152 61.7015 29.7800 173.5795 8 E 4.4861 9.3210 118.2719 56.2931 30.4795 176.8661 9 I 4.5746 7.6998 121.7802 59.8637 39.1852 172.0643 10 P 4.2995 0.0000 0.0000 62.3363 32.6766 176.6278 11 R 4.4434 7.8108 119.7884 55.3330 33.2146 173.8192 12 N 4.1060 8.7983 115.7662 54.0001 38.1108 173.4146 13 K 4.7191 7.5202 114.6516 54.1179 35.7579 175.5565 14 R 4.2426 8.4964 118.9478 56.9041 31.7065 177.8281 15 V 3.6337 8.5178 122.7262 66.1368 31.3347 178.0281 16 D 4.3767 8.1099 117.0134 56.7142 39.4994 178.3048 17 V 3.7493 7.8679 119.5684 65.3350 31.5855 177.3797 18 A 4.1961 8.5920 120.7315 55.5816 18.1514 179.6904 19 L 4.1136 8.7059 117.4161 58.0910 41.3885 179.6813 20 T 3.9688 7.6228 114.9424 66.7254 68.4336 174.9229 21 Y 4.0051 7.8454 115.5617 59.2873 38.2174 176.0899 22 I 5.3762 7.6611 121.4732 59.0690 39.0595 176.0739 23 Y 4.1550 10.1673 126.6442 60.8655 38.6092 177.6315 24 G 3.8641 8.0305 105.1935 45.0580 0.0000 172.8182 25 I 4.2039 7.4040 119.6416 58.9302 40.0826 175.0809 26 G 4.1846 7.7970 112.1154 42.9997 0.0000 173.2280 27 K 4.0120 8.4494 116.8301 59.5828 31.6731 178.0240 28 A 4.2510 7.9554 122.0792 53.7832 18.3178 179.0183 29 R 3.7496 7.7311 115.1594 58.7614 30.2502 178.9579 30 A 4.1200 7.9113 120.6134 55.3379 18.4799 179.8587 31 K 4.0184 7.8455 115.3599 59.3484 32.1650 179.4485 32 E 4.0194 8.6127 119.7106 59.3679 29.5885 178.8111 33 A 4.5395 9.1129 121.2453 55.1327 18.4891 179.6282 34 L 4.0599 8.1771 117.9518 57.7618 41.4704 178.5772 35 E 3.8707 8.0525 118.4717 59.5814 29.7683 178.8013 36 K 4.0052 8.0076 117.6109 59.8324 31.9929 179.3518 37 T 3.9160 7.4506 110.7216 63.1209 69.3700 175.7999 38 G 3.9042 7.2645 107.8273 46.8046 0.0000 173.6427 39 I 4.5155 7.7899 120.0564 59.0360 40.7162 175.8579 40 N 4.3468 8.8645 123.7075 53.4341 39.6775 172.7193 41 P 4.3474 0.0000 0.0000 65.7675 31.6286 178.4102 42 A 4.0673 8.1745 119.2527 54.6607 18.6248 177.7941 43 T 4.0845 7.6913 106.9317 61.2017 69.7145 174.5170 44 R 4.4882 8.4134 124.2321 55.8394 31.2303 177.5456 45 V 3.6060 8.4498 122.4577 66.0320 31.4911 178.2203 46 K 4.1766 8.0836 116.2583 58.8011 32.2807 176.6577 47 D 4.8427 8.2240 118.5292 53.8675 41.5442 176.0445 48 L 4.3138 8.1949 121.4464 54.4196 42.2301 177.8170 49 T 3.9858 9.3968 121.5599 63.4062 69.9984 174.9328 50 E 4.0222 8.9657 125.0145 59.7374 29.6648 178.9730 51 A 4.0864 7.9578 120.0661 55.0384 18.5940 178.8505 52 E 3.8843 8.1847 115.9240 59.9066 29.7018 179.8771 53 V 3.8640 8.3027 118.0034 65.8167 31.2485 178.2850 54 V 3.5793 7.9713 118.3237 65.9136 31.5083 178.0197 55 R 3.9184 7.9452 117.2414 59.2084 29.9691 178.5533 56 L 4.0029 8.4771 120.1660 58.2345 42.0713 178.6433 57 R 3.9241 7.9250 118.5250 59.8699 29.9497 178.2983 58 E 3.9970 8.5526 118.3847 59.7869 29.2088 178.2796 59 Y 4.1003 8.1532 119.0809 59.8872 38.7287 177.4371 60 V 3.1896 7.9214 118.8053 66.2632 31.5246 178.2880 61 E 4.0395 7.7320 116.1383 58.1989 30.2470 178.0083 62 N 4.6703 7.6196 118.1508 51.0385 37.8643 174.1673 63 T 4.5078 7.0321 129.8022 62.2569 67.9897 172.0455 64 W 5.3276 7.1639 118.8608 54.7816 33.3223 173.8139 65 K 4.5390 8.6872 120.5309 55.0399 32.8424 175.1438 66 L 4.8512 8.0713 126.0295 55.6473 46.4684 177.1536 67 E 4.0388 8.5675 116.3478 56.2161 31.0571 178.0162 68 G 3.8283 8.9096 115.8426 49.3521 0.0000 173.7851 69 E 3.9496 8.3332 120.2111 59.7198 29.6791 177.9405 70 L 4.1739 8.5927 120.8724 56.7225 42.1882 178.8013 71 R 3.9386 8.5809 117.3234 59.4959 30.2239 178.7004 72 A 3.9361 8.4648 120.7656 55.6888 18.2462 178.5574 73 E 3.7986 8.2017 116.0274 60.2573 29.8508 179.1064 74 V 3.1491 8.0228 113.9492 66.2541 31.8423 177.7526 75 A 3.9157 8.3134 118.6802 55.5533 18.4123 179.5666 76 A 3.9529 7.9899 118.0906 55.3260 18.6947 179.3394 77 N 4.3802 8.6993 115.1607 56.6864 38.8286 177.3488 78 I 3.5604 7.8303 120.5076 64.7548 36.9310 178.1398 79 K 4.0035 7.7943 118.8605 59.7428 32.2609 177.9398 80 R 3.8874 8.6404 120.1074 59.1987 29.9988 178.0818 81 L 4.2452 7.7492 119.2656 58.4302 40.9243 178.6538 82 M 4.2067 7.6598 117.6066 57.2281 32.6134 176.4728 83 D 4.6506 8.4404 118.0645 56.2963 42.1382 177.2914 84 I 3.8688 7.6845 112.9682 60.4340 38.1278 177.2016 85 G 3.9423 9.2563 113.0551 48.9870 0.0000 172.9921 86 C 3.5193 8.0255 119.0883 57.0008 31.9165 173.4265 87 Y 4.1151 9.1282 128.5162 61.1919 38.2077 177.9088 88 R 3.6654 8.3198 117.6867 59.5536 30.0927 178.1531 89 G 3.9833 7.8950 106.4823 47.3944 0.0000 175.4029 90 L 3.8967 7.9294 121.8994 57.6342 41.5946 179.7283 91 R 3.7505 7.5919 117.4981 59.6017 29.7855 178.7880 92 H 4.0638 8.2298 115.9239 58.8627 28.5005 177.7845 93 R 3.9961 7.9512 117.8655 59.7246 30.0774 179.0616 94 R 4.0874 8.2723 116.3952 57.2103 29.9666 177.8798 95 G 3.8752 7.8808 105.7716 45.5770 0.0000 172.9623 96 L 4.6367 7.5193 118.2147 51.3517 43.5899 174.5307 97 P 4.0786 0.0000 0.0000 63.6650 31.5099 176.1199 98 V 3.6658 8.3024 121.5434 65.6368 32.4096 177.8535 99 R 4.1210 7.9757 117.5583 59.5944 28.1132 179.3854 100 G 3.9283 7.3218 100.2109 46.9399 0.0000 172.0060 101 Q 4.7794 7.6220 123.8818 54.6115 32.5267 174.5154 102 R 4.5330 8.4693 114.9872 56.0827 30.8355 176.1016 103 T 4.5856 8.3795 110.5639 61.5305 69.2422 174.6813 104 R 4.3070 8.0685 124.0496 58.3885 30.9556 175.7679 105 T 4.5952 7.3154 105.0636 60.5598 71.9582 174.3242 106 N 3.9288 9.3258 118.3007 54.2628 37.5531 175.0707 107 A 3.7918 8.6084 123.8676 54.4131 15.8111 180.6174 108 R 3.9295 8.0069 120.0430 61.0382 29.8971 178.6915 109 T 3.9862 7.9267 113.9268 66.8879 68.5318 175.8017 110 R 4.1317 7.8962 118.0100 58.0726 30.4046 177.4826 111 K 4.2950 7.9809 116.8739 58.1146 33.1497 176.9757 112 G 3.8909 9.4484 105.2676 43.7132 0.0000 171.3038 113 P 4.5571 0.0000 0.0000 61.4909 32.4318 176.1785 114 R 3.9633 8.4244 120.0311 56.7783 30.7718 178.3987 115 K 4.4263 8.2756 125.3653 54.6789 31.0532 176.2392 116 T 3.8604 7.3859 115.2089 63.9467 69.7019 174.0450 117 V 4.4193 7.8518 122.7250 61.2035 34.5737 173.9200 118 A 4.3756 8.3636 122.7270 52.1582 19.8865 175.5856 119 G 3.8662 7.5904 104.8226 45.7569 0.0000 172.6061 120 K 4.3392 8.4623 121.2932 54.2555 32.0311 176.3352 121 K 4.0383 8.0167 126.4360 58.9644 32.6953 178.6538 122 K 4.2039 7.7568 124.1895 55.2872 30.0631 175.9097 123 A 4.7083 7.9512 121.0510 50.9509 20.8032 172.6114 124 P 4.6249 0.0000 0.0000 62.5035 30.3221 176.9454 125 R 4.0973 8.5901 112.4929 56.4933 29.6544 178.1169 126 K 4.1320 7.7870 124.0025 57.1867 31.9193 176.6498 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 8.26 4.21 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 3 R 8.55 4.47 0.00 1.90 1.97 0.00 3.25 0.00 0.00 3.89 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 4 I 8.18 3.91 1.92 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 1.38 0.85 0.96 0.00 0.00 5 A 8.22 4.38 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 6 G 8.13 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.18 3.42 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 0.71 0.00 0.00 0.94 0.00 0.00 8 E 9.32 4.49 0.00 2.22 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 2.63 2.49 0.00 9 I 7.70 4.57 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.22 0.92 0.00 0.00 10 P 0.00 4.30 0.00 2.16 2.23 0.00 3.93 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 2.00 2.00 0.00 11 R 7.81 4.44 0.00 1.76 1.68 0.00 3.31 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 12 N 8.80 4.11 0.00 2.81 2.79 0.00 0.00 6.77 6.68 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 13 K 7.52 4.72 0.00 1.90 1.67 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.34 7.81 14 R 8.50 4.24 0.00 1.86 2.15 0.00 3.16 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 15 V 8.52 3.63 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 0.92 0.00 0.00 1.00 0.00 0.00 16 D 8.11 4.38 0.00 2.88 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 17 V 7.87 3.75 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.98 0.00 0.00 18 A 8.59 4.20 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 0.00 0.00 0.00 0.00 0.00 19 L 8.71 4.11 0.00 1.88 1.82 1.05 0.80 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 20 T 7.62 3.97 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 21 Y 7.85 4.01 0.00 3.27 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 22 I 7.66 5.38 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.69 1.04 0.00 0.00 23 Y 10.17 4.16 0.00 2.94 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 24 G 8.03 3.86 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 0.00 0.00 0.00 25 I 7.40 4.20 2.02 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.70 0.82 0.00 0.00 26 G 7.80 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.45 4.01 0.00 1.73 1.85 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.43 7.81 28 A 7.96 4.25 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 29 R 7.73 3.75 0.00 1.24 0.66 0.00 2.46 0.00 0.00 2.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.15 0.00 30 A 7.91 4.12 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 31 K 7.85 4.02 0.00 1.89 1.91 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.47 7.81 32 E 8.61 4.02 0.00 2.19 2.35 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 2.46 2.64 0.00 33 A 9.11 4.54 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 0.00 0.00 0.00 0.00 0.00 34 L 8.18 4.06 0.00 1.93 1.92 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.05 3.87 0.00 2.21 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 0.00 2.35 2.42 0.00 36 K 8.01 4.01 0.00 1.33 1.39 0.00 1.03 0.00 0.00 1.15 0.00 0.00 2.93 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.30 1.53 7.81 37 T 7.45 3.92 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 1.20 0.00 0.00 38 G 7.26 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 39 I 7.79 4.52 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.84 0.96 0.00 0.00 40 N 8.86 4.35 0.00 2.68 2.75 0.00 0.00 7.20 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 41 P 0.00 4.35 0.00 2.24 2.19 0.00 3.69 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 42 A 8.17 4.07 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 43 T 7.69 4.08 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 1.22 0.00 0.00 44 R 8.41 4.49 0.00 2.11 1.89 0.00 3.20 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 45 V 8.45 3.61 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 0.87 0.00 0.00 1.00 0.00 0.00 46 K 8.08 4.18 0.00 1.90 1.92 0.00 1.58 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.47 7.81 47 D 8.22 4.84 0.00 2.74 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 48 L 8.19 4.31 0.00 1.78 1.63 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 49 T 9.40 3.99 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 1.29 0.00 0.00 50 E 8.97 4.02 0.00 1.94 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 2.30 2.47 0.00 51 A 7.96 4.09 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 52 E 8.18 3.88 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 53 V 8.30 3.86 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 1.01 0.00 0.00 1.01 0.00 0.00 54 V 7.97 3.58 2.28 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 1.07 0.00 0.00 1.02 0.00 0.00 55 R 7.95 3.92 0.00 2.01 1.97 0.00 3.16 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 1.72 1.86 0.00 56 L 8.48 4.00 0.00 1.95 1.71 0.98 0.98 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 57 R 7.92 3.92 0.00 2.16 2.09 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.70 0.00 58 E 8.55 4.00 0.00 2.03 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 2.67 2.47 0.00 59 Y 8.15 4.10 0.00 2.79 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 60 V 7.92 3.19 2.18 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 1.13 0.00 0.00 1.10 0.00 0.00 61 E 7.73 4.04 0.00 1.97 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 2.37 2.54 0.00 62 N 7.62 4.67 0.00 2.93 2.72 0.00 0.00 6.91 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 63 T 7.03 4.51 3.50 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 -0.70 0.00 0.00 64 W 7.16 5.33 0.00 3.19 2.80 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 65 K 8.69 4.54 0.00 1.76 1.75 0.00 1.75 0.00 0.00 1.88 0.00 0.00 2.84 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.39 1.87 7.81 66 L 8.07 4.85 0.00 1.82 1.64 1.09 1.15 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 67 E 8.57 4.04 0.00 2.13 1.81 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 2.42 2.51 0.00 68 G 8.91 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 69 E 8.33 3.95 0.00 2.00 2.27 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 2.34 2.42 0.00 70 L 8.59 4.17 0.00 2.17 1.92 0.81 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.58 3.94 0.00 1.83 1.88 0.00 2.92 0.00 0.00 2.84 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.39 0.00 72 A 8.46 3.94 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 0.00 0.00 0.00 0.00 0.00 73 E 8.20 3.80 0.00 2.09 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 2.35 2.35 0.00 74 V 8.02 3.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.98 0.00 0.00 75 A 8.31 3.92 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 76 A 7.99 3.95 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 77 N 8.70 4.38 0.00 2.83 2.86 0.00 0.00 6.99 7.37 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 78 I 7.83 3.56 1.93 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 1.37 1.06 0.60 0.00 0.00 79 K 7.79 4.00 0.00 1.90 1.95 0.00 1.82 0.00 0.00 1.92 0.00 0.00 3.17 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.57 7.81 80 R 8.64 3.89 0.00 1.81 1.98 0.00 3.15 0.00 0.00 3.22 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 81 L 7.75 4.25 0.00 1.87 1.93 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 82 M 7.66 4.21 0.00 2.06 2.27 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 83 D 8.44 4.65 0.00 2.80 2.69 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 0.00 0.00 0.00 0.00 84 I 7.68 3.87 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.78 1.00 0.00 0.00 85 G 9.26 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.03 3.52 0.00 3.04 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 87 Y 9.13 4.12 0.00 3.07 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.32 3.67 0.00 1.87 1.99 0.00 3.32 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 89 G 7.90 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 90 L 7.93 3.90 0.00 1.68 1.74 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.59 3.75 0.00 1.71 1.94 0.00 2.96 0.00 0.00 2.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.24 0.00 92 H 8.23 4.06 0.00 3.30 3.31 0.00 5.64 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 93 R 7.95 4.00 0.00 1.95 2.00 0.00 3.21 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 94 R 8.27 4.09 0.00 1.68 1.98 0.00 3.37 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.78 0.00 95 G 7.88 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.52 4.64 0.00 1.58 1.56 0.92 1.05 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 97 P 0.00 4.08 0.00 2.38 2.09 0.00 3.73 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 98 V 8.30 3.67 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 0.72 0.00 0.00 0.57 0.00 0.00 99 R 7.98 4.12 0.00 1.84 1.91 0.00 3.33 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 100 G 7.32 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 7.62 4.78 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.48 0.00 102 R 8.47 4.53 0.00 1.91 1.92 0.00 2.97 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 103 T 8.38 4.59 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 1.22 0.00 0.00 104 R 8.07 4.31 0.00 1.79 1.98 0.00 3.22 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 105 T 7.32 4.60 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 0.00 106 N 9.33 3.93 0.00 2.88 2.90 0.00 0.00 6.97 7.35 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 0.00 107 A 8.61 3.79 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 R 8.01 3.93 0.00 1.83 1.98 0.00 3.47 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 109 T 7.93 3.99 4.23 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 1.21 0.00 0.00 110 R 7.90 4.13 0.00 1.76 1.93 0.00 3.25 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.85 0.00 111 K 7.98 4.30 0.00 1.83 1.84 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.64 7.81 112 G 9.45 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 P 0.00 4.56 0.00 2.05 1.98 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 114 R 8.42 3.96 0.00 1.80 1.88 0.00 3.18 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 115 K 8.28 4.43 0.00 1.73 1.76 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.63 7.81 116 T 7.39 3.86 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 0.00 117 V 7.85 4.42 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 0.98 0.00 0.00 118 A 8.36 4.38 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 0.00 119 G 7.59 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 0.00 120 K 8.46 4.34 0.00 1.69 1.72 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.41 7.81 121 K 8.02 4.04 0.00 1.76 1.76 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.49 7.81 122 K 7.76 4.20 0.00 1.69 1.75 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.51 7.81 123 A 7.95 4.71 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 0.00 124 P 0.00 4.62 0.00 2.20 1.99 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 125 R 8.59 4.10 0.00 1.91 2.03 0.00 3.12 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 126 K 7.79 4.13 0.00 1.79 1.77 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.39 7.81