NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4514 8.3349 115.2989 57.5330 64.5061 173.7616 4 D 4.6289 7.8468 119.6869 54.4163 42.1791 174.1364 5 F 5.6285 8.9348 122.1754 57.0038 43.7446 172.3622 6 Y 4.8992 8.3542 125.6257 56.0667 42.7379 173.3204 7 L 4.7872 7.7011 127.1009 53.4818 46.2551 174.6874 8 R 4.9672 8.9044 125.7316 55.0687 33.9736 172.7595 9 Y 5.2387 8.5557 127.1098 55.8885 42.0271 173.4742 10 Y 4.9461 8.3796 126.6420 55.7140 42.9374 174.2383 11 V 4.3561 6.9967 124.3760 60.2651 35.3463 174.1760 12 G 4.1101 8.4901 110.2890 47.0125 0.0000 170.9584 13 H 5.2482 8.4745 114.5559 54.7124 32.5041 172.5226 14 K 5.0377 8.7009 119.6622 54.9530 34.1603 174.9727 15 G 3.9044 9.1946 118.4532 45.0702 0.0000 172.6361 16 K 3.6549 8.5534 118.8166 60.1274 31.6939 177.9925 17 F 4.7446 7.2548 114.5771 57.8092 39.1850 177.1462 18 G 4.2284 8.3459 111.0534 45.4419 0.0000 173.3576 19 H 5.1548 8.7689 121.2219 55.7683 29.6629 175.1593 20 E 4.8165 8.9084 125.8904 54.9007 31.2743 175.3903 21 F 5.0990 8.1649 117.5843 55.8177 42.0454 172.5164 22 L 5.0720 8.8940 122.2277 53.3356 44.9754 174.8213 23 E 5.3065 9.5216 126.7161 54.7794 33.6207 173.6957 24 F 5.6824 8.6719 120.1487 55.7297 42.2434 172.8834 25 E 5.1867 9.1890 119.3545 55.1759 33.7510 173.7912 26 F 5.0513 9.5390 125.6790 55.7535 41.2816 175.3194 27 R 4.7881 8.9318 125.1458 54.5871 30.9097 175.4615 28 P 4.6763 0.0000 0.0000 65.2628 31.1067 176.9734 29 D 4.5782 8.1808 115.4299 53.8643 39.6225 176.9029 30 G 4.0681 8.6933 109.5793 45.1283 0.0000 172.8674 31 K 3.8682 8.0348 122.2806 55.7727 33.5561 175.0856 32 L 4.6579 9.0559 130.7997 53.6134 43.7659 174.9315 33 R 5.0002 8.7393 126.4175 54.5968 32.6372 174.7714 34 Y 5.4281 9.3677 124.4830 55.8454 42.4460 173.9994 35 A 4.7549 8.6045 127.1031 50.2954 23.4109 174.5645 36 N 4.8264 8.8421 120.3931 51.8836 41.9968 172.2899 37 N 5.0145 7.5534 125.6228 51.8079 41.5649 173.3578 38 S 4.7525 7.9819 115.9622 57.6516 65.3665 174.7020 39 N 5.5019 8.2630 121.3466 52.2260 39.1457 173.7525 40 Y 3.9200 7.8309 120.7229 59.3039 39.0357 176.6527 41 K 3.6893 8.8769 126.0484 57.5889 29.8327 174.6387 42 N 4.2209 8.4130 110.5705 54.1809 36.9311 174.4811 43 D 4.5261 8.0459 118.6326 54.4401 41.8761 174.9576 44 V 4.7905 7.6894 114.1689 58.8870 34.8252 175.1702 45 M 4.2049 8.3154 120.7387 55.8206 32.9793 175.2878 46 I 4.5174 8.4129 125.6869 59.6012 40.1784 174.6373 47 R 5.1054 8.5861 125.5679 54.3955 33.2657 175.4622 48 K 4.6058 9.2619 121.6645 55.0367 36.7984 175.0087 49 E 5.6887 8.9742 119.9295 55.8576 32.7757 173.4593 50 A 4.6348 8.2609 121.0028 51.8943 23.1159 174.1894 51 Y 4.8852 8.6266 116.6141 56.5883 39.6650 176.3878 52 V 4.3785 8.7839 118.4903 59.9601 33.5143 175.9462 53 H 4.3453 8.8011 123.1232 55.6572 30.8453 175.8256 54 K 3.8350 8.4703 124.6024 60.0296 31.6793 178.8890 55 S 4.1784 8.5465 113.6417 61.5016 62.6849 176.5956 56 V 3.5721 7.9467 121.7592 66.1341 31.2621 177.9302 57 M 4.0483 8.0768 117.9568 58.3091 31.8916 178.3468 58 E 3.7835 8.4009 119.1578 59.5018 29.6288 179.1444 59 E 3.8902 8.4499 119.6075 58.9299 29.6431 178.5074 60 L 3.8057 7.9614 120.8867 57.9152 42.0981 179.1310 61 K 3.6409 7.7888 118.9170 59.7423 32.3384 179.1808 62 R 3.8034 7.6089 119.4328 59.1518 30.0072 178.5094 63 I 3.6770 7.8671 119.7773 64.4622 36.8718 178.5013 64 I 3.7677 7.5167 119.4303 64.3851 37.2306 178.0430 65 D 4.5121 8.2670 119.7306 57.6538 40.5245 178.5503 66 D 4.4336 8.3812 118.4573 57.3617 40.8063 178.8158 67 S 4.2484 7.8528 113.6506 59.0550 63.3491 174.3767 68 E 3.8553 8.2414 120.4469 57.0370 27.4167 176.3056 69 I 3.7280 7.7192 121.8396 64.3375 38.0741 177.5234 70 T 4.3387 8.0219 108.1149 63.1412 68.7028 174.8099 71 K 4.2956 8.1403 121.2673 57.3086 32.6962 176.6538 72 E 4.6407 8.0772 118.6867 55.4526 30.8162 174.8711 73 D 4.5734 8.1889 118.2559 53.0248 44.3887 174.3865 74 D 3.3700 7.8372 122.7099 52.1978 39.9800 177.6643 75 A 3.8374 7.4883 124.0407 55.5016 18.1678 179.0306 76 L 4.5469 7.6194 111.3231 54.5666 42.4843 176.9590 77 W 4.5937 7.9227 119.2432 55.8581 29.8895 174.4628 78 P 4.5472 0.0000 0.0000 62.2461 31.8071 174.3367 79 P 4.5844 0.0000 0.0000 61.6601 32.4090 174.4701 80 P 4.3780 0.0000 0.0000 63.2829 32.0562 175.4640 81 D 4.9177 8.5047 119.9113 51.8423 42.4248 176.0161 82 R 3.9755 8.6849 116.6824 59.6155 30.1575 178.4868 83 V 3.6446 7.9463 116.8041 63.4373 31.8641 175.9454 84 G 4.2096 6.8202 107.8229 45.2428 0.0000 170.3446 85 R 5.2056 8.4957 118.8622 54.7670 34.1748 173.8113 86 Q 5.2156 9.7013 122.5811 54.3085 33.1158 174.1699 87 E 5.4252 9.6709 122.2837 54.6298 34.1234 174.4927 88 L 5.3421 9.5519 125.4109 53.5657 45.7554 174.4406 89 E 5.2309 9.6620 127.5734 54.5230 32.9543 174.4489 90 I 5.1321 9.1096 127.0817 59.5804 41.5964 174.2157 91 V 4.8314 8.8811 126.8441 61.3707 34.2220 174.4534 92 I 4.8295 8.8453 128.6480 60.3031 39.2734 178.4124 93 G 3.9296 9.4208 121.0078 46.8639 0.0000 173.6093 94 D 4.6295 9.3637 125.0732 54.6110 42.0643 175.9784 95 E 4.4693 8.0874 118.2632 55.2117 31.0175 174.8838 96 H 5.2659 8.5257 120.8825 54.8619 32.0760 171.8908 97 I 4.3522 8.4826 119.9771 59.1942 40.3055 174.8662 98 S 4.9174 7.9121 117.9297 56.8765 65.0207 172.6614 99 F 4.9979 9.9216 127.0561 56.1081 41.3368 175.0639 100 T 5.2200 8.9649 119.5053 62.4371 72.1878 173.1080 101 T 4.7420 8.7044 119.5413 61.5385 71.8119 172.1272 102 S 4.9876 8.1817 119.1407 57.1231 64.7923 174.1239 103 K 4.3584 8.6169 118.7628 56.6075 32.7457 177.1969 104 I 4.3611 7.6681 121.2246 59.4857 38.5209 176.3149 105 G 3.6987 8.9299 115.4173 47.9380 0.0000 172.6563 106 S 4.6014 7.5940 112.1093 56.5175 66.0800 175.1218 107 L 3.5194 8.2427 119.1081 57.8826 40.8263 179.5092 108 I 3.6695 7.1085 118.9872 64.5970 37.1889 177.8433 109 D 4.4107 7.8586 119.1482 57.0143 40.5991 178.8989 110 V 3.4036 7.3020 118.2518 66.1024 31.4575 177.4612 111 N 4.5434 8.2709 113.5724 54.8049 38.4732 176.1521 112 Q 4.4651 7.3556 118.7525 55.5951 29.8176 175.5935 113 S 4.5403 7.5258 115.2255 57.0393 64.7942 174.2050 114 K 4.1692 8.5810 118.9088 59.0994 32.2331 177.1735 115 D 4.8373 7.6765 117.8917 50.6420 41.4297 173.4547 116 P 4.3982 0.0000 0.0000 64.7804 31.3976 177.5990 117 E 4.0805 8.2345 117.3669 59.4710 29.4467 179.4567 118 G 3.8497 9.6825 106.7885 47.9193 0.0000 175.5348 119 L 3.0623 7.7219 122.6299 57.2787 42.0080 179.0428 120 R 3.9550 7.9081 118.8238 59.1807 29.9884 178.6302 121 V 3.7645 7.6096 118.2983 65.7011 31.4617 177.7526 122 F 4.0156 8.5143 120.7512 61.4347 38.7711 176.0821 123 Y 4.0503 8.3382 119.5227 61.3501 38.3727 178.1393 124 Y 3.9553 7.8738 116.8648 60.4997 37.9706 177.7936 125 L 3.8324 7.9894 121.4123 58.1703 42.1508 179.0452 126 V 3.0669 7.4863 118.3887 66.0314 31.2565 177.9328 127 Q 3.7104 7.4161 116.9664 59.0235 28.5074 178.6268 128 D 4.2725 8.1178 120.0780 57.1389 40.8289 178.8713 129 L 3.8077 8.1301 119.8269 57.8157 41.6147 179.6805 130 K 3.2476 7.8482 118.4854 59.2030 31.6770 178.8777 131 C 3.9180 7.7101 118.9284 62.2658 31.3534 175.4646 132 L 3.8223 7.5608 121.7509 58.0847 41.7180 178.7729 133 V 3.4521 7.8380 118.4247 66.2853 31.2548 178.0574 134 F 4.4645 8.3811 117.7656 60.6653 38.5627 177.9928 135 S 4.1461 7.8825 114.8354 61.3998 62.6560 176.5559 136 L 3.9789 8.2072 121.9579 57.9354 41.4571 179.6429 137 I 3.9374 8.1300 120.0603 64.3175 36.9614 178.6422 138 G 3.6672 8.2671 106.6814 48.0743 0.0000 175.7121 139 L 3.9870 7.9465 120.7693 57.4983 41.6777 178.7654 140 H 4.2670 8.1521 117.1573 57.8382 29.8494 175.7419 141 F 4.6358 8.0667 117.3858 57.6512 41.3042 175.5738 142 K 4.1874 8.2590 122.4890 55.5347 32.3203 176.4508 143 I 3.8791 8.2387 127.8160 60.7850 37.6600 175.9608 144 K 4.1214 8.5546 125.4563 55.6495 32.2741 175.5067 145 P 4.2365 0.0000 0.0000 63.6858 31.6887 176.3985 146 I 3.5763 7.7401 123.2334 61.7081 37.1662 173.2329 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 3 S 8.33 4.45 0.00 3.88 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 4 D 7.85 4.63 0.00 2.81 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 5 F 8.93 5.63 0.00 3.07 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 6 Y 8.35 4.90 0.00 3.01 2.65 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 7 L 7.70 4.79 0.00 1.24 1.30 0.96 1.12 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 8 R 8.90 4.97 0.00 1.62 1.70 0.00 3.12 0.00 0.00 3.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 9 Y 8.56 5.24 0.00 2.76 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 10 Y 8.38 4.95 0.00 2.82 2.48 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 11 V 7.00 4.36 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 0.80 0.00 0.00 1.00 0.00 0.00 12 G 8.49 4.11 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 0.00 0.00 0.00 13 H 8.47 5.25 0.00 3.23 3.56 0.00 5.21 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.70 5.04 0.00 1.77 1.74 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.33 1.46 7.81 15 G 9.19 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 16 K 8.55 3.65 0.00 0.79 0.82 0.00 1.31 0.00 0.00 1.42 0.00 0.00 2.68 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.20 1.20 7.81 17 F 7.25 4.74 0.00 3.41 3.22 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 18 G 8.35 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 0.00 0.00 0.00 0.00 19 H 8.77 5.15 0.00 3.24 3.42 0.00 5.74 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.91 4.82 0.00 1.72 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 21 F 8.16 5.10 0.00 2.87 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 22 L 8.89 5.07 0.00 1.76 1.56 1.24 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 23 E 9.52 5.31 0.00 2.21 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 2.23 2.42 0.00 24 F 8.67 5.68 0.00 3.09 3.29 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 25 E 9.19 5.19 0.00 2.05 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 2.25 2.27 0.00 26 F 9.54 5.05 0.00 2.86 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 R 8.93 4.79 0.00 1.96 2.07 0.00 3.19 0.00 0.00 3.52 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 28 P 0.00 4.68 0.00 2.33 2.42 0.00 3.61 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 29 D 8.18 4.58 0.00 2.98 2.95 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 30 G 8.69 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 31 K 8.03 3.87 0.00 1.58 1.56 0.00 1.54 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.24 0.66 7.81 32 L 9.06 4.66 0.00 1.43 1.47 -0.33 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.74 5.00 0.00 1.77 1.83 0.00 3.14 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 1.65 1.51 0.00 34 Y 9.37 5.43 0.00 3.00 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 35 A 8.60 4.75 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.84 4.83 0.00 2.41 2.47 0.00 0.00 6.40 7.57 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 37 N 7.55 5.01 0.00 2.10 1.42 0.00 0.00 6.35 7.74 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 38 S 7.98 4.75 0.00 3.76 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 39 N 8.26 5.50 0.00 3.08 2.82 0.00 0.00 6.51 7.36 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 40 Y 7.83 3.92 0.00 2.55 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 41 K 8.88 3.69 0.00 1.56 1.59 0.00 1.72 0.00 0.00 1.49 0.00 0.00 2.71 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.72 0.21 7.81 42 N 8.41 4.22 0.00 2.84 2.90 0.00 0.00 6.77 8.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.05 4.53 0.00 2.92 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 44 V 7.69 4.79 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 0.76 0.00 0.00 0.91 0.00 0.00 45 M 8.32 4.20 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.61 0.00 46 I 8.41 4.52 1.91 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 1.19 0.59 0.94 0.00 0.00 47 R 8.59 5.11 0.00 1.63 1.79 0.00 3.19 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 48 K 9.26 4.61 0.00 1.60 0.84 0.00 1.34 0.00 0.00 0.92 0.00 0.00 2.59 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.48 1.18 7.81 49 E 8.97 5.69 0.00 2.00 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 2.26 2.24 0.00 50 A 8.26 4.63 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.63 4.89 0.00 2.84 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 52 V 8.78 4.38 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 0.72 0.00 0.00 1.22 0.00 0.00 53 H 8.80 4.35 0.00 3.20 3.19 0.00 5.70 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.47 3.83 0.00 1.78 1.76 0.00 1.69 0.00 0.00 1.87 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.59 7.81 55 S 8.55 4.18 0.00 4.09 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.95 3.57 2.31 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 1.12 0.00 0.00 0.98 0.00 0.00 57 M 8.08 4.05 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.72 0.00 58 E 8.40 3.78 0.00 2.10 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 2.48 0.00 59 E 8.45 3.89 0.00 2.00 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 2.26 2.29 0.00 60 L 7.96 3.81 0.00 1.59 1.65 0.71 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.79 3.64 0.00 1.67 1.11 0.00 1.09 0.00 0.00 1.12 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.11 1.33 7.81 62 R 7.61 3.80 0.00 1.84 2.08 0.00 3.06 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 63 I 7.87 3.68 1.96 0.00 0.00 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.02 0.86 0.00 0.00 64 I 7.52 3.77 2.10 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.70 1.04 0.00 0.00 65 D 8.27 4.51 0.00 2.89 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 66 D 8.38 4.43 0.00 2.57 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 7.85 4.25 0.00 4.05 4.12 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 68 E 8.24 3.86 0.00 2.29 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 0.00 2.32 2.44 0.00 69 I 7.72 3.73 1.91 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 1.21 1.31 1.08 0.00 0.00 70 T 8.02 4.34 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 1.36 0.00 0.00 71 K 8.14 4.30 0.00 1.98 1.96 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.46 7.81 72 E 8.08 4.64 0.00 2.35 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 0.00 2.55 2.60 0.00 73 D 8.19 4.57 0.00 2.49 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 7.84 3.37 0.00 2.48 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.49 3.84 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 76 L 7.62 4.55 0.00 1.81 1.81 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 77 W 7.92 4.59 0.00 3.27 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 78 P 0.00 4.55 0.00 2.09 1.99 0.00 3.59 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 2.08 2.10 0.00 79 P 0.00 4.58 0.00 2.10 2.07 0.00 3.82 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 2.01 2.02 0.00 80 P 0.00 4.38 0.00 2.09 2.10 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.23 0.00 81 D 8.50 4.92 0.00 2.89 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 82 R 8.68 3.98 0.00 1.84 2.06 0.00 3.22 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 83 V 7.95 3.64 2.31 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 0.75 0.00 0.00 0.94 0.00 0.00 84 G 6.82 4.21 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 0.00 85 R 8.50 5.21 0.00 1.92 1.91 0.00 3.08 0.00 0.00 3.40 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.72 0.00 86 Q 9.70 5.22 0.00 2.32 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.54 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 87 E 9.67 5.43 0.00 1.92 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 2.24 2.29 0.00 88 L 9.55 5.34 0.00 2.26 2.11 1.09 0.91 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 89 E 9.66 5.23 0.00 2.11 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.26 0.00 90 I 9.11 5.13 2.01 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.91 1.05 0.00 0.00 91 V 8.88 4.83 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 1.13 0.00 0.00 1.04 0.00 0.00 92 I 8.85 4.83 2.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.71 1.03 0.00 0.00 93 G 9.42 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 94 D 9.36 4.63 0.00 2.70 2.75 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 95 E 8.09 4.47 0.00 2.20 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 2.47 2.30 0.00 96 H 8.53 5.27 0.00 3.14 3.18 0.00 5.70 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.48 4.35 1.49 0.00 0.00 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 1.34 1.24 0.91 0.00 0.00 98 S 7.91 4.92 0.00 3.75 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 99 F 9.92 5.00 0.00 3.32 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 0.00 100 T 8.96 5.22 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 1.25 0.00 0.00 101 T 8.70 4.74 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 102 S 8.18 4.99 0.00 3.92 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 0.00 103 K 8.62 4.36 0.00 1.72 1.85 0.00 1.88 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.52 1.54 7.81 104 I 7.67 4.36 2.07 0.00 0.00 1.00 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 0.81 0.74 0.00 0.00 105 G 8.93 3.70 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 0.00 0.00 0.00 106 S 7.59 4.60 0.00 3.97 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 0.00 107 L 8.24 3.52 0.00 1.63 1.67 1.05 0.68 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 0.00 108 I 7.11 3.67 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.43 0.88 0.00 0.00 109 D 7.86 4.41 0.00 2.73 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 0.00 110 V 7.30 3.40 1.95 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 0.89 0.00 0.00 0.45 0.00 0.00 111 N 8.27 4.54 0.00 2.64 2.83 0.00 0.00 7.06 7.45 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 0.00 112 Q 7.36 4.47 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 113 S 7.53 4.54 0.00 3.97 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 0.00 114 K 8.58 4.17 0.00 1.86 1.96 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.49 1.53 7.81 115 D 7.68 4.84 0.00 2.82 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 0.00 116 P 0.00 4.40 0.00 2.20 2.06 0.00 3.68 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 2.11 2.29 0.00 117 E 8.23 4.08 0.00 2.08 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 2.44 2.42 0.00 118 G 9.68 3.85 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 0.00 0.00 0.00 119 L 7.72 3.06 0.00 1.48 1.35 -0.52 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 120 R 7.91 3.96 0.00 2.31 2.12 0.00 3.25 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 2.01 1.74 0.00 121 V 7.61 3.76 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.07 0.00 0.00 122 F 8.51 4.02 0.00 2.86 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 0.00 123 Y 8.34 4.05 0.00 2.98 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 0.00 124 Y 7.87 3.96 0.00 3.12 2.93 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 0.00 125 L 7.99 3.83 0.00 1.89 1.57 0.85 0.69 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 0.00 126 V 7.49 3.07 1.66 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 0.33 0.00 0.00 -0.11 0.00 0.00 127 Q 7.42 3.71 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 128 D 8.12 4.27 0.00 2.75 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 0.00 129 L 8.13 3.81 0.00 1.69 1.77 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 130 K 7.85 3.25 0.00 1.35 0.74 0.00 1.55 0.00 0.00 1.61 0.00 0.00 3.14 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.35 7.81 131 C 7.71 3.92 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 0.00 132 L 7.56 3.82 0.00 1.73 1.69 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 133 V 7.84 3.45 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 0.76 0.00 0.00 0.16 0.00 0.00 134 F 8.38 4.46 0.00 3.00 2.93 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 0.00 135 S 7.88 4.15 0.00 4.08 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 0.00 136 L 8.21 3.98 0.00 1.82 1.73 1.07 0.84 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 0.00 137 I 8.13 3.94 1.64 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 0.42 0.52 0.00 0.00 138 G 8.27 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 0.00 139 L 7.95 3.99 0.00 1.70 1.74 0.92 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 140 H 8.15 4.27 0.00 3.16 3.12 0.00 5.69 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 F 8.07 4.64 0.00 3.10 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 0.00 142 K 8.26 4.19 0.00 1.72 1.94 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.40 7.81 143 I 8.24 3.88 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 1.41 0.66 0.91 0.00 0.00 144 K 8.55 4.12 0.00 1.73 1.76 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.42 7.81 145 P 0.00 4.24 0.00 2.16 2.17 0.00 3.91 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 146 I 7.74 3.58 1.86 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 1.38 0.69 0.90 0.00 0.00