NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4120 8.3193 115.2915 57.8967 62.4065 173.2703 3 S 4.1076 8.2558 122.0892 56.6048 63.7326 172.5118 4 L 4.0533 9.0343 125.6504 55.1556 43.3545 177.1595 5 L 4.5287 8.1658 126.2850 53.7854 43.2039 176.1547 6 V 4.8552 8.3123 122.3992 60.9208 35.1488 174.7323 7 K 4.4555 8.7850 126.1041 54.4751 35.1305 175.3422 8 K 4.5993 8.7090 128.1030 56.4028 31.8642 177.3122 9 L 4.2852 9.2995 126.5194 55.9592 42.2071 177.5939 10 V 4.4315 7.5029 117.5710 60.4553 34.3250 175.3514 11 E 3.9686 8.8066 126.7785 59.4745 29.6218 178.5222 12 S 4.1907 7.9936 111.4067 59.7847 63.2678 174.3516 13 A 3.9986 7.2758 123.4770 53.0689 18.4975 177.0901 14 T 4.3099 8.2692 119.1912 62.8212 69.6035 174.9184 15 T 4.1035 8.3414 122.9972 62.5622 69.1332 172.7560 16 P 4.5500 0.0000 0.0000 62.8839 32.2909 175.4677 17 M 4.9534 8.4022 121.1075 54.3898 36.2147 173.6925 18 R 4.3176 8.6461 125.1313 55.9895 31.2517 177.2075 19 G 3.8406 8.6385 111.7728 45.3191 0.0000 173.0789 20 S 4.4477 7.3678 110.5458 57.0092 65.6817 176.2510 21 E 4.0284 9.1204 127.9407 58.1874 29.4216 177.2860 22 G 3.9419 7.7354 104.9857 45.0807 0.0000 173.5915 23 A 3.9393 8.1534 123.6353 52.4004 18.7571 177.9877 24 A 4.1495 8.5465 124.8988 54.0820 19.0756 177.6490 25 G 4.3420 7.4503 100.5736 44.7421 0.0000 171.8970 26 Y 4.5825 8.9986 118.7549 56.7688 39.1823 175.5083 27 D 5.0537 8.7484 123.1667 54.7599 42.7312 175.4656 28 I 4.9443 8.4521 119.8766 60.0338 41.0765 174.7737 29 S 5.3328 8.7621 122.4084 56.6233 65.9528 173.5256 30 S 4.6245 8.9002 118.2330 58.1024 63.0233 174.8394 31 V 4.2203 8.6746 120.1945 61.9705 31.7655 175.7388 32 E 4.8144 8.0688 118.2862 54.3788 32.8260 174.9968 33 D 4.9231 8.6231 121.0201 54.0771 41.9162 176.1049 34 V 4.5156 8.7538 115.9573 60.4015 37.2608 173.2712 35 V 4.7976 8.1315 120.7574 61.3327 34.4109 174.7596 36 V 4.3454 8.6624 128.6563 59.4217 32.7648 173.9233 37 P 4.8963 0.0000 0.0000 62.1746 32.5609 175.7937 38 A 4.3117 8.6234 124.8617 54.4114 18.6461 177.2384 39 M 3.3430 7.8964 119.7588 54.8741 30.5613 176.4847 40 G 4.6213 7.9349 107.0502 44.6914 0.0000 172.4143 41 R 5.4873 8.3972 114.4541 54.9598 32.5702 174.3605 42 I 4.8504 8.6584 113.2405 59.4676 41.7925 173.2887 43 A 5.0884 8.5632 124.2802 50.3777 21.0158 176.3246 44 V 4.5643 8.9828 122.8227 60.9706 34.1742 175.1584 45 S 4.8241 9.3683 125.0127 58.9665 63.5830 174.7796 46 T 4.4894 8.2768 112.9452 60.3542 70.0023 175.2333 47 G 3.9506 8.8281 110.8834 45.9323 0.0000 172.8024 48 I 5.1755 7.5671 112.2614 58.8469 41.6403 174.2338 49 S 5.1200 8.8437 117.4195 56.5268 65.1665 172.8724 50 I 4.9377 8.5219 119.5032 59.2927 41.0087 175.6180 51 R 4.5819 8.6195 122.6017 53.9835 30.3721 173.9502 52 V 3.9982 8.1215 115.9030 59.8686 32.3871 174.1866 53 P 4.3401 0.0000 0.0000 62.7803 31.6468 175.7619 54 D 4.3200 8.3886 119.6680 55.8319 41.4032 177.2952 55 G 3.9377 8.9361 108.2023 45.9826 0.0000 172.4868 56 T 5.3102 7.6787 112.5406 59.2781 70.9012 172.3513 57 Y 4.8917 8.0663 120.5733 55.2200 41.6284 174.3206 58 G 3.9144 8.8039 111.5497 46.1119 0.0000 172.0961 59 R 4.9682 8.9954 127.2375 54.8159 32.2473 175.2070 60 I 4.7294 8.6809 128.2038 60.3327 37.0088 175.0557 61 A 4.8575 8.6535 129.4712 49.3395 21.7603 174.3079 62 P 4.8011 0.0000 0.0000 62.5972 32.7038 175.8382 63 R 4.5465 8.3279 119.6906 54.7678 31.8265 177.6264 64 S 4.3200 8.9889 118.4175 62.2880 62.8031 176.3220 65 G 3.8853 8.3950 108.3537 48.0961 0.0000 174.8020 66 L 4.2046 8.0763 120.7631 56.6894 41.7712 178.7172 67 A 4.4834 7.6159 120.0969 54.3010 18.7317 178.5188 68 Y 4.0488 8.3716 117.8273 60.5477 39.2631 177.9828 69 K 3.6498 8.0936 117.8521 58.0478 32.5009 177.1403 70 Y 4.6762 7.5663 112.5028 57.8003 40.7913 174.8087 71 G 3.9287 8.3371 108.7896 46.8008 0.0000 173.8116 72 I 4.4651 7.4095 118.3291 59.4335 38.8798 176.2435 73 D 4.9823 8.7578 127.2319 52.5062 44.0143 174.9197 74 V 4.6667 8.2845 123.8648 61.5763 32.7035 175.4262 75 L 4.5043 8.9564 128.4056 53.5277 43.7728 180.5718 76 A 3.4608 10.0181 125.6375 52.1875 17.6701 179.8150 77 G 3.8719 9.4067 114.8867 46.2266 0.0000 172.9541 78 V 4.3766 7.4217 119.1417 62.0933 31.5638 175.5509 79 I 4.1451 8.8375 130.8232 59.8834 37.8618 175.4816 80 D 4.7366 8.5209 127.8958 53.9162 41.4938 178.2462 81 S 4.2665 9.0502 116.5660 60.7318 63.1255 174.6480 82 D 4.8526 8.0137 119.2248 53.0483 39.4668 175.0596 83 Y 4.5984 7.8893 121.1220 57.7768 39.3557 175.3506 84 R 4.3687 7.9352 125.3676 55.7989 31.5172 175.2796 85 G 3.5840 5.3800 107.3238 43.0643 0.0000 173.3669 86 E 4.1857 8.3524 120.0418 55.9003 30.0582 176.1802 87 V 4.1447 8.9021 127.0104 62.7128 32.7338 174.7103 88 K 5.0082 8.7113 126.7533 54.6156 35.1273 175.4231 89 V 4.2285 8.4731 124.6631 61.5426 33.6251 174.5242 90 I 4.6940 8.3836 128.5600 59.9767 39.1161 174.1343 91 L 5.0864 8.4690 127.7199 53.1502 44.0873 175.1502 92 Y 5.0105 8.9459 125.4049 55.8023 41.0942 173.8536 93 N 4.6709 8.6316 127.3459 53.0012 39.8467 175.0482 94 T 4.2797 8.5466 116.8653 62.0859 70.0820 174.5857 95 T 4.4806 8.4671 114.3864 60.6376 71.5928 174.9580 96 E 4.3962 8.7327 118.9362 56.5742 30.0057 176.1604 97 R 4.7125 7.4610 119.4547 54.2254 32.2021 175.3107 98 D 4.8324 8.7392 125.1371 54.6370 42.2492 174.7865 99 Y 4.6915 8.5709 120.2694 56.0119 41.9408 174.1748 100 I 4.7408 7.5215 126.2707 59.6463 39.8688 174.9902 101 I 4.3500 8.9560 126.5532 59.5697 39.7738 175.0921 102 K 4.8136 8.6295 126.4675 54.5831 34.2139 176.6689 103 K 4.1088 9.0177 122.9883 58.4539 32.4110 177.8714 104 G 3.9608 9.7137 111.6115 45.5167 0.0000 173.3856 105 D 4.6048 7.9008 120.7121 53.9581 42.0887 176.0048 106 R 4.6696 8.6493 122.5657 56.3259 30.3328 176.3240 107 I 4.5578 8.5146 115.9921 60.6558 39.7172 174.5843 108 A 4.5845 7.3757 122.9213 51.9122 22.9268 174.4330 109 Q 4.8771 8.5543 114.0170 54.7540 32.4964 173.9036 110 L 5.0651 9.4389 125.2130 54.0807 43.9066 174.9839 111 I 4.7034 8.8156 127.2723 59.6721 40.1068 175.1941 112 L 4.6349 8.6009 127.6844 53.7044 40.3007 174.2818 113 E 4.2166 8.1287 121.4899 55.3547 30.9456 175.8876 114 Q 4.7015 8.7998 124.7548 56.0945 29.2599 175.5572 115 I 4.8374 8.9083 117.4331 59.1587 41.1566 175.0281 116 V 4.5475 8.3414 114.5941 59.8302 34.6601 176.4444 117 T 4.4213 8.1500 112.3689 59.3676 68.9209 171.5200 118 P 4.6725 0.0000 0.0000 61.5411 33.8487 175.8703 119 G 3.8815 8.2429 106.9875 45.0354 0.0000 173.2263 120 V 4.1256 7.9171 118.8254 61.5796 32.9808 176.2272 121 A 4.4147 7.9834 126.7937 50.4749 19.5741 175.7271 122 V 3.6829 8.1858 120.4553 64.0214 32.1682 175.9772 123 V 4.6142 7.8905 118.3761 59.3998 35.4432 175.8091 124 L 4.1527 8.4909 121.5862 57.5822 41.8795 177.0539 125 D 4.5870 7.5291 114.3341 53.4189 43.7948 174.7518 126 L 4.2554 8.3275 124.3039 55.7121 42.6459 177.9308 127 S 4.6343 8.3084 112.2559 57.9887 62.1547 169.3199 128 D 4.4957 8.4892 124.0257 54.4246 41.2095 175.6225 129 T 4.5949 8.0048 112.0189 59.0684 71.2725 172.8128 130 A 3.8449 8.4256 124.9108 53.1098 18.6325 177.5553 131 R 3.9864 7.1064 120.5828 54.4777 30.5842 176.1914 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 S 8.32 4.41 0.00 3.85 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 3 S 8.26 4.11 0.00 4.10 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 4 L 9.03 4.05 0.00 1.47 1.42 0.16 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.17 4.53 0.00 1.68 1.54 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.31 4.86 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 0.77 0.00 0.00 0.87 0.00 0.00 7 K 8.78 4.46 0.00 1.80 1.74 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.37 7.81 8 K 8.71 4.60 0.00 1.68 2.04 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.47 7.81 9 L 9.30 4.29 0.00 1.54 1.71 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.50 4.43 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 1.02 0.00 0.00 0.93 0.00 0.00 11 E 8.81 3.97 0.00 1.94 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 2.29 2.36 0.00 12 S 7.99 4.19 0.00 4.02 3.99 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 13 A 7.28 4.00 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 14 T 8.27 4.31 4.26 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 1.23 0.00 0.00 15 T 8.34 4.10 4.26 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 1.23 0.00 0.00 16 P 0.00 4.55 0.00 1.91 2.16 0.00 3.75 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 17 M 8.40 4.95 0.00 2.15 1.91 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.66 0.00 18 R 8.65 4.32 0.00 1.57 1.60 0.00 2.94 0.00 0.00 2.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.50 0.00 19 G 8.64 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 20 S 7.37 4.45 0.00 3.89 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 9.12 4.03 0.00 1.94 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 2.27 2.29 0.00 22 G 7.74 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 23 A 8.15 3.94 1.21 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 0.00 0.00 24 A 8.55 4.15 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 25 G 7.45 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 0.00 0.00 0.00 0.00 26 Y 9.00 4.58 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.75 5.05 0.00 2.70 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 28 I 8.45 4.94 1.91 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 1.42 1.16 0.94 0.00 0.00 29 S 8.76 5.33 0.00 3.74 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 30 S 8.90 4.62 0.00 3.91 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.67 4.22 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 0.76 0.00 0.00 0.95 0.00 0.00 32 E 8.07 4.81 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 2.20 2.26 0.00 33 D 8.62 4.92 0.00 2.57 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 34 V 8.75 4.52 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 0.95 0.00 0.00 35 V 8.13 4.80 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 0.88 0.00 0.00 0.90 0.00 0.00 36 V 8.66 4.35 2.13 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 0.86 0.00 0.00 0.91 0.00 0.00 37 P 0.00 4.90 0.00 2.14 2.23 0.00 3.73 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 38 A 8.62 4.31 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 39 M 7.90 3.34 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 40 G 7.93 4.62 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 0.00 0.00 0.00 41 R 8.40 5.49 0.00 2.01 2.16 0.00 3.02 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 42 I 8.66 4.85 1.90 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 1.19 0.60 0.94 0.00 0.00 43 A 8.56 5.09 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 44 V 8.98 4.56 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 0.99 0.00 0.00 1.00 0.00 0.00 45 S 9.37 4.82 0.00 3.84 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 46 T 8.28 4.49 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 1.32 0.00 0.00 47 G 8.83 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 48 I 7.57 5.18 1.87 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 1.13 1.33 0.98 0.00 0.00 49 S 8.84 5.12 0.00 3.84 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.52 4.94 1.84 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 1.30 0.88 0.90 0.00 0.00 51 R 8.62 4.58 0.00 1.81 1.76 0.00 3.25 0.00 0.00 3.17 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 52 V 8.12 4.00 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 0.75 0.00 0.00 0.98 0.00 0.00 53 P 0.00 4.34 0.00 2.22 2.37 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 54 D 8.39 4.32 0.00 2.68 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.94 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 56 T 7.68 5.31 4.26 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 1.26 0.00 0.00 57 Y 8.07 4.89 0.00 2.97 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 58 G 8.80 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 9.00 4.97 0.00 1.35 1.69 0.00 3.24 0.00 0.00 3.50 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 60 I 8.68 4.73 1.89 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 1.18 0.99 0.93 0.00 0.00 61 A 8.65 4.86 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 62 P 0.00 4.80 0.00 2.11 2.08 0.00 3.77 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 2.00 2.02 0.00 63 R 8.33 4.55 0.00 1.92 1.91 0.00 3.38 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 64 S 8.99 4.32 0.00 4.06 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.39 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 66 L 8.08 4.20 0.00 1.75 1.64 1.07 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.62 4.48 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 68 Y 8.37 4.05 0.00 2.91 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.09 3.65 0.00 1.86 1.22 0.00 1.18 0.00 0.00 1.17 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.43 7.81 70 Y 7.57 4.68 0.00 2.92 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 71 G 8.34 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 72 I 7.41 4.47 1.83 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.53 0.75 0.00 0.00 73 D 8.76 4.98 0.00 2.86 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 74 V 8.28 4.67 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 0.94 0.00 0.00 0.94 0.00 0.00 75 L 8.96 4.50 0.00 1.56 1.58 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 76 A 10.02 3.46 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 G 9.41 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 78 V 7.42 4.38 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 0.52 0.00 0.00 0.89 0.00 0.00 79 I 8.84 4.15 2.03 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.97 1.00 0.00 0.00 80 D 8.52 4.74 0.00 2.72 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 81 S 9.05 4.27 0.00 4.02 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 0.00 82 D 8.01 4.85 0.00 2.82 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 83 Y 7.89 4.60 0.00 2.92 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 84 R 7.94 4.37 0.00 1.62 1.71 0.00 3.34 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 85 G 5.38 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.35 4.19 0.00 1.96 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 2.34 2.32 0.00 87 V 8.90 4.14 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 0.93 0.00 0.00 1.07 0.00 0.00 88 K 8.71 5.01 0.00 1.66 1.69 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.61 7.81 89 V 8.47 4.23 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 0.98 0.00 0.00 0.96 0.00 0.00 90 I 8.38 4.69 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.63 0.94 0.00 0.00 91 L 8.47 5.09 0.00 1.65 1.55 0.93 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 8.95 5.01 0.00 2.94 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 93 N 8.63 4.67 0.00 2.68 2.69 0.00 0.00 6.48 8.08 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 94 T 8.55 4.28 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 1.26 0.00 0.00 95 T 8.47 4.48 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 1.24 0.00 0.00 96 E 8.73 4.40 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 2.26 2.27 0.00 97 R 7.46 4.71 0.00 1.81 1.83 0.00 3.28 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 98 D 8.74 4.83 0.00 2.60 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 8.57 4.69 0.00 2.91 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 0.00 100 I 7.52 4.74 1.59 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.58 0.85 0.00 0.00 101 I 8.96 4.35 2.01 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.20 0.97 0.00 0.00 102 K 8.63 4.81 0.00 1.91 1.67 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.34 7.81 103 K 9.02 4.11 0.00 1.68 1.76 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.31 7.81 104 G 9.71 3.96 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 0.00 0.00 0.00 105 D 7.90 4.60 0.00 2.78 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 0.00 106 R 8.65 4.67 0.00 1.73 1.90 0.00 3.17 0.00 0.00 3.53 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 107 I 8.51 4.56 1.91 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 1.35 0.70 1.04 0.00 0.00 108 A 7.38 4.58 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 0.00 109 Q 8.55 4.88 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 110 L 9.44 5.07 0.00 1.79 1.66 0.93 0.50 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 0.00 111 I 8.82 4.70 1.81 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.84 0.87 0.00 0.00 112 L 8.60 4.63 0.00 1.56 1.61 0.87 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 0.00 113 E 8.13 4.22 0.00 1.74 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 2.19 2.05 0.00 114 Q 8.80 4.70 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 115 I 8.91 4.84 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.75 1.20 0.00 0.00 116 V 8.34 4.55 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 0.81 0.00 0.00 0.94 0.00 0.00 117 T 8.15 4.42 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 1.22 0.00 0.00 118 P 0.00 4.67 0.00 2.19 2.13 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 119 G 8.24 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 0.00 120 V 7.92 4.13 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 0.92 0.00 0.00 121 A 7.98 4.41 1.21 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 0.00 0.00 122 V 8.19 3.68 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 0.83 0.00 0.00 0.93 0.00 0.00 123 V 7.89 4.61 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 0.91 0.00 0.00 0.93 0.00 0.00 124 L 8.49 4.15 0.00 1.61 1.73 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 125 D 7.53 4.59 0.00 2.56 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.33 4.26 0.00 1.67 1.70 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 127 S 8.31 4.63 0.00 3.91 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 0.00 128 D 8.49 4.50 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.00 4.59 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 1.26 0.00 0.00 130 A 8.43 3.84 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 0.00 131 R 7.11 3.99 0.00 1.81 1.82 0.00 3.27 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 1.60 1.68 0.00