NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9570 8.0544 120.3071 61.7197 32.7366 174.1304 2 H 4.5323 8.2670 121.2992 54.0204 31.1700 172.4699 3 W 4.9764 8.6524 124.6271 54.9972 33.9858 172.9862 4 S 4.8582 8.2419 109.9200 56.1876 64.3480 173.8600 5 A 4.2670 8.4366 120.9054 54.1589 18.2868 179.0497 6 E 4.3321 8.6372 117.4879 58.6245 29.9272 178.4654 7 E 4.2426 8.1623 118.0296 58.6117 29.8982 178.7393 8 K 3.8675 7.9356 118.5125 59.3467 31.9362 179.4026 9 Q 3.9819 7.5508 118.6824 59.0230 28.6966 178.3125 10 L 4.0075 7.6971 119.6592 58.1984 41.5303 179.5360 11 I 4.0465 7.7359 119.2553 64.5231 37.3460 178.4149 12 T 4.0687 8.2377 116.5442 66.5748 68.0867 177.0940 13 G 3.6846 8.2052 107.1543 47.9347 0.0000 175.3313 14 L 4.0696 7.9094 123.5056 56.5080 42.0186 178.4145 15 W 4.5712 8.9651 129.8062 60.7204 30.6314 177.9074 16 G 3.8567 7.7968 101.4881 46.6738 0.0000 173.7122 17 K 4.3963 7.6342 117.6787 55.6523 33.8439 176.4074 18 V 3.6359 7.5123 119.5280 62.7287 31.3261 176.9473 19 N 4.5441 8.3744 127.4068 52.8764 35.3489 174.3852 20 V 3.5063 7.7840 124.2913 65.8756 31.7298 176.2517 21 A 3.9298 8.0598 119.1969 56.0197 18.0128 179.3779 22 E 3.8911 8.9595 116.2043 59.6068 29.6568 179.4667 23 C 4.2345 7.9059 116.9931 62.3846 28.1712 176.3454 24 G 3.7309 8.5126 107.6339 47.3990 0.0000 175.7865 25 A 3.9669 7.7615 123.0634 54.7104 18.3923 179.2840 26 E 3.7915 8.6525 118.0438 59.5492 29.7082 179.0454 27 A 3.9926 8.3994 121.2079 54.7890 18.4775 179.4154 28 L 3.7919 7.8409 118.2238 58.2513 42.3322 178.5196 29 A 3.9565 8.0920 120.9271 55.6292 17.9289 179.8051 30 R 3.7802 8.3591 116.2276 59.6259 30.2975 179.1379 31 L 3.8307 8.1457 119.9214 58.2888 42.1871 179.0768 32 L 4.0214 7.7853 118.2680 57.8771 41.6630 179.2838 33 I 3.9481 7.5616 118.5375 63.4287 37.2641 177.9730 34 V 3.7210 8.7802 118.8079 63.8959 31.9096 176.5586 35 Y 3.7938 6.9571 124.4174 55.4411 38.3927 174.7721 36 P 4.2474 0.0000 0.0000 64.6788 31.4082 178.2149 37 W 4.6023 8.5733 115.6353 60.3477 27.4384 177.7398 38 T 4.5332 7.7472 114.0448 65.1787 68.0172 175.8047 39 Q 4.4536 8.3859 121.3137 58.3097 28.7593 177.6487 40 R 3.8651 7.7963 119.6984 59.6178 30.0448 177.4513 41 F 4.1024 8.3730 113.8787 59.0036 38.8583 175.5302 42 F 4.5464 8.1530 120.4710 56.6933 39.4271 177.5571 43 A 4.1046 8.0209 126.2281 55.1972 18.4093 180.3742 44 S 4.1034 7.6051 108.1844 59.8789 63.4635 175.0468 45 F 4.9500 7.5323 118.9921 58.8327 40.0479 175.5786 46 G 4.0227 7.3423 105.0766 43.7415 0.0000 175.1804 47 N 4.2907 8.9106 126.1124 53.8687 38.5080 174.8665 48 L 4.6970 8.2809 126.1981 53.4009 43.7796 175.5675 49 S 4.6456 8.6326 115.5304 59.2117 67.7568 174.7115 50 S 4.8150 7.7756 117.5668 55.0792 64.7550 173.3565 51 P 4.2786 0.0000 0.0000 65.8377 31.5972 178.2632 52 T 4.1341 7.8512 107.9731 63.8001 68.9521 176.8869 53 A 4.0398 8.1561 123.5563 56.0134 18.2766 180.2094 54 I 3.4772 7.2020 116.2505 64.0779 37.4209 177.2741 55 L 4.3870 7.3742 117.5600 56.4150 41.9975 178.4296 56 G 3.7255 7.9449 107.4998 48.3886 0.0000 173.7020 57 N 4.1959 8.2146 119.5237 53.4507 37.7742 172.7846 58 P 4.9270 0.0000 0.0000 63.0303 31.9357 176.8152 59 M 4.0847 7.8320 121.0966 58.5018 31.9543 178.4912 60 V 3.3512 7.2460 117.7593 65.9326 31.6893 177.8215 61 R 3.9669 7.1328 114.5186 57.5784 29.9416 176.0904 62 A 4.5191 7.0864 119.3688 53.8106 21.1179 178.1983 63 H 4.3273 9.7294 114.8253 58.9923 29.7027 177.6815 64 G 4.1105 8.7317 110.2850 47.2409 0.0000 175.3703 65 K 3.9558 7.7777 122.5942 59.2417 32.1212 178.8635 66 K 4.7635 7.6889 119.2720 58.6759 31.8394 179.5184 67 V 3.7278 7.8819 118.8169 65.9867 31.3621 177.9981 68 L 4.3995 8.0532 117.1492 58.1531 41.8936 178.8643 69 T 4.4462 8.8894 110.1214 66.5125 68.4844 175.3840 70 S 3.6150 8.6119 112.3673 60.8239 62.3428 175.8827 71 F 4.0777 9.0116 122.0536 60.9103 38.6392 177.4133 72 G 3.2954 8.5250 105.4470 47.8806 0.0000 175.4530 73 D 3.9451 8.1909 121.9832 56.5046 40.3834 178.4784 74 A 4.0849 7.5587 122.9800 53.7105 19.0407 180.6777 75 V 3.2839 6.5585 115.8695 65.1121 33.1369 178.0391 76 K 4.0985 7.1908 118.7118 59.1911 32.1403 177.3450 77 N 4.9141 9.1552 116.6012 51.3054 40.1334 174.7644 78 L 3.7758 7.8511 121.1166 56.7557 42.0544 177.8158 79 D 5.0459 7.6129 117.3307 53.6281 41.4020 176.6732 80 N 4.7887 7.9829 116.0524 52.6462 39.9974 176.6997 81 I 3.6469 8.7268 118.6538 64.5306 36.9052 179.3372 82 K 4.4233 6.9212 116.8468 58.5991 33.7836 176.7616 83 N 4.6467 7.7552 119.4794 55.4840 38.5846 177.1834 84 T 3.9254 7.8180 118.2676 66.3070 68.5462 175.8871 85 F 4.1808 8.8952 118.4163 58.0571 38.7801 177.8495 86 S 4.3504 7.6661 114.6152 61.7979 62.5864 176.1891 87 Q 3.9818 8.0399 122.2304 58.4531 28.9432 177.7727 88 L 4.1208 7.6530 120.7488 57.7663 42.0994 178.5404 89 S 4.2278 8.9548 114.3744 61.0578 61.8011 175.8524 90 E 4.0582 8.0961 121.0396 58.5309 28.6537 178.1906 91 L 4.3008 7.9993 119.5540 56.2952 42.2907 177.2706 92 H 4.8587 8.1622 114.1329 56.6345 31.1150 175.7631 93 C 4.1795 7.6978 115.6389 62.1188 28.1752 175.3855 94 D 4.3501 7.1602 117.7378 56.9303 40.1806 178.2450 95 K 3.7478 7.1988 119.2976 59.1022 32.6360 176.9013 96 L 4.3371 8.0137 120.3922 58.1666 42.2053 179.5471 97 H 4.4651 6.6086 112.0231 58.2516 24.3273 172.3041 98 V 4.3197 8.6641 124.1522 60.2712 33.2541 175.1049 99 D 4.3147 8.5277 127.3401 53.4104 41.5946 175.0061 100 P 2.9700 0.0000 0.0000 64.3434 32.0449 177.9442 101 E 3.7233 7.8307 119.2268 59.4401 29.3052 178.1585 102 N 4.6086 7.8861 116.2672 56.1823 38.3720 176.5792 103 F 4.8339 8.7119 118.5278 58.9957 39.5020 176.4432 104 R 4.4796 8.4382 118.5307 57.2869 30.3992 177.2050 105 L 4.3280 7.7126 117.5640 55.7811 41.5482 177.8245 106 L 4.4443 7.9283 120.0174 56.6185 43.1670 177.7884 107 G 4.1006 8.3396 105.2271 48.5114 0.0000 175.0086 108 D 4.5392 8.2860 120.6596 56.6705 40.9178 179.0562 109 I 3.8651 7.3981 120.3185 64.1314 36.9660 177.7643 110 L 4.1806 10.5237 119.7714 56.8915 41.8644 178.7183 111 I 3.8164 7.6021 120.0462 64.5983 37.1007 177.7815 112 I 3.5982 7.2241 118.8854 64.6131 36.9242 178.2971 113 V 3.6866 7.8405 118.8855 65.8410 31.3637 178.1533 114 L 4.1446 7.5089 118.2837 57.4819 41.1482 179.2416 115 A 2.9209 7.1849 119.6080 53.8015 18.2782 178.4353 116 A 4.4193 7.1299 115.0396 52.2481 19.5657 176.9009 117 H 4.6998 7.8172 112.9070 55.4023 30.0990 174.1943 118 F 4.6084 7.8649 115.4072 57.1882 42.0910 175.2423 119 T 3.3707 7.7570 113.8940 62.3456 68.3656 173.4604 120 K 4.0264 8.7785 120.9365 58.7810 32.3075 176.8509 121 D 4.6553 8.4813 116.9102 54.5686 40.5858 176.0291 122 F 4.6234 7.9419 120.3545 55.9975 39.7790 174.1266 123 T 4.0888 7.7561 123.0307 62.2868 69.5403 173.7130 124 P 4.2763 0.0000 0.0000 66.0501 31.3934 178.5525 125 E 4.0396 8.0396 114.6250 58.3762 29.6358 177.4879 126 C 3.9388 8.3515 120.4278 59.2868 30.9919 176.8769 127 Q 3.1182 6.2364 118.2989 58.0723 31.3349 177.8463 128 A 3.9678 7.3882 119.6697 55.2295 18.4769 179.1500 129 A 4.0907 8.2931 119.5464 55.5926 18.5739 179.8978 130 W 4.0971 8.2214 116.1396 59.8388 29.2442 177.9214 131 Q 4.2496 9.1658 119.7290 57.7874 28.1304 178.4451 132 K 4.1472 8.7302 120.6656 59.9271 32.5672 178.0285 133 L 4.3050 8.5335 121.1415 58.1686 41.9717 178.5738 134 V 4.2241 8.1435 109.7834 62.7093 31.4584 178.2665 135 R 4.1888 8.5933 119.8950 58.6028 30.1861 178.8566 136 V 3.6035 7.5889 117.2138 65.9325 31.8463 177.7027 137 V 2.8992 8.4551 118.0816 65.7432 30.2678 177.4980 138 A 3.8838 7.5814 119.9509 55.8193 18.2528 178.9465 139 H 4.5879 8.1098 112.1444 56.7869 29.0257 177.7706 140 A 3.9363 7.7247 123.8569 55.2393 18.1653 179.6227 141 L 4.0448 6.8786 112.1555 56.5286 41.5703 177.9113 142 A 4.9895 7.0894 121.0021 51.9517 19.8521 178.3305 143 R 4.1420 8.4746 122.1947 60.7851 30.3622 178.3647 144 K 4.5737 7.5367 117.5699 57.1444 32.8071 176.6124 145 Y 4.8371 8.4405 112.2714 57.6009 40.0633 175.9364 146 H 4.5860 9.1609 124.2151 56.4591 29.3259 174.0769 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 V 8.05 3.96 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 0.95 0.00 0.00 0.55 0.00 0.00 2 H 8.27 4.53 0.00 3.12 3.05 0.00 5.69 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 3 W 8.65 4.98 0.00 3.27 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 4 S 8.24 4.86 0.00 3.91 3.77 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 5 A 8.44 4.27 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.64 4.33 0.00 2.07 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 2.31 2.40 0.00 7 E 8.16 4.24 0.00 2.27 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 0.00 2.49 2.48 0.00 8 K 7.94 3.87 0.00 1.98 1.83 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.34 7.81 9 Q 7.55 3.98 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 10 L 7.70 4.01 0.00 1.72 1.82 0.99 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.74 4.05 1.83 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.33 0.44 0.00 0.00 12 T 8.24 4.07 4.31 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 0.00 0.00 0.00 1.26 0.00 0.00 13 G 8.21 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 0.00 0.00 0.00 14 L 7.91 4.07 0.00 1.67 1.77 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.97 4.57 0.00 3.72 3.24 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 16 G 7.80 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 17 K 7.63 4.40 0.00 2.07 1.99 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.54 7.81 18 V 7.51 3.64 1.60 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 0.63 0.00 0.00 0.91 0.00 0.00 19 N 8.37 4.54 0.00 2.65 2.53 0.00 0.00 6.74 7.71 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 20 V 7.78 3.51 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 1.16 0.00 0.00 0.77 0.00 0.00 21 A 8.06 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.96 3.89 0.00 2.15 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 2.27 2.28 0.00 23 C 7.91 4.23 0.00 2.89 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 24 G 8.51 3.73 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 25 A 7.76 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.65 3.79 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 27 A 8.40 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.84 3.79 0.00 1.80 1.59 0.73 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.09 3.96 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 30 R 8.36 3.78 0.00 1.98 1.90 0.00 3.12 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 31 L 8.15 3.83 0.00 1.95 1.80 1.10 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.79 4.02 0.00 1.89 1.73 0.76 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.56 3.95 1.79 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 1.37 0.46 0.84 0.00 0.00 34 V 8.78 3.72 1.49 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 -0.34 0.00 0.00 0.75 0.00 0.00 35 Y 6.96 3.79 0.00 1.92 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 36 P 0.00 4.25 0.00 2.23 2.12 0.00 3.60 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 2.09 2.05 0.00 37 W 8.57 4.60 0.00 3.58 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 38 T 7.75 4.53 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 1.38 0.00 0.00 39 Q 8.39 4.45 0.00 2.51 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.70 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 40 R 7.80 3.87 0.00 1.71 2.07 0.00 3.08 0.00 0.00 2.99 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.48 0.00 41 F 8.37 4.10 0.00 2.81 2.58 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 42 F 8.15 4.55 0.00 3.33 3.24 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 43 A 8.02 4.10 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 44 S 7.61 4.10 0.00 3.90 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 45 F 7.53 4.95 0.00 3.34 3.06 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 46 G 7.34 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 0.00 0.00 0.00 0.00 47 N 8.91 4.29 0.00 2.71 2.81 0.00 0.00 6.57 7.78 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 48 L 8.28 4.70 0.00 1.69 1.62 1.16 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.63 4.65 0.00 3.93 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 0.00 50 S 7.78 4.81 0.00 3.88 3.78 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 51 P 0.00 4.28 0.00 2.01 2.10 0.00 3.66 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 2.07 0.00 52 T 7.85 4.13 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 1.19 0.00 0.00 53 A 8.16 4.04 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 54 I 7.20 3.48 2.00 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 1.65 0.79 0.92 0.00 0.00 55 L 7.37 4.39 0.00 1.62 1.68 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.94 3.73 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 57 N 8.21 4.20 0.00 2.77 2.73 0.00 0.00 6.73 7.71 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 58 P 0.00 4.93 0.00 2.20 2.17 0.00 3.71 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 1.95 1.93 0.00 59 M 7.83 4.08 0.00 1.33 1.83 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.54 0.00 60 V 7.25 3.35 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 0.97 0.00 0.00 0.79 0.00 0.00 61 R 7.13 3.97 0.00 1.92 1.93 0.00 3.12 0.00 0.00 3.19 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 62 A 7.09 4.52 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 63 H 9.73 4.33 0.00 3.20 3.25 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.73 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 65 K 7.78 3.96 0.00 1.80 2.05 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.55 7.81 66 K 7.69 4.76 0.00 2.22 1.94 0.00 1.88 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.38 7.81 67 V 7.88 3.73 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 1.35 0.00 0.00 1.05 0.00 0.00 68 L 8.05 4.40 0.00 1.84 2.06 1.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.89 4.45 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 1.39 0.00 0.00 70 S 8.61 3.61 0.00 4.12 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 0.00 71 F 9.01 4.08 0.00 3.36 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.53 3.30 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 0.00 73 D 8.19 3.95 0.00 2.51 2.43 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 74 A 7.56 4.08 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 75 V 6.56 3.28 1.65 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 0.64 0.00 0.00 0.38 0.00 0.00 76 K 7.19 4.10 0.00 1.58 1.80 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.61 1.50 7.81 77 N 9.16 4.91 0.00 2.66 2.62 0.00 0.00 6.90 6.62 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 78 L 7.85 3.78 0.00 1.11 0.92 0.35 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.61 5.05 0.00 2.63 2.66 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 0.00 0.00 0.00 0.00 80 N 7.98 4.79 0.00 2.62 2.66 0.00 0.00 7.24 9.08 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 81 I 8.73 3.65 1.93 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 1.39 1.36 0.91 0.00 0.00 82 K 6.92 4.42 0.00 1.76 1.71 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.54 7.81 83 N 7.76 4.65 0.00 3.00 2.84 0.00 0.00 7.32 7.54 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 84 T 7.82 3.93 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 85 F 8.90 4.18 0.00 2.92 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 7.67 4.35 0.00 4.08 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 0.00 87 Q 8.04 3.98 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.15 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 88 L 7.65 4.12 0.00 1.63 1.78 0.92 0.57 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 89 S 8.95 4.23 0.00 3.89 4.06 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 90 E 8.10 4.06 0.00 2.19 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 2.29 0.00 91 L 8.00 4.30 0.00 1.84 1.87 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.16 4.86 0.00 3.36 3.65 0.00 5.85 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.70 4.18 0.00 2.82 2.34 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 94 D 7.16 4.35 0.00 2.84 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 95 K 7.20 3.75 0.00 1.71 1.71 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.45 7.81 96 L 8.01 4.34 0.00 1.81 1.77 0.89 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 97 H 6.61 4.47 0.00 3.27 3.71 0.00 5.91 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 98 V 8.66 4.32 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 0.41 0.00 0.00 0.93 0.00 0.00 99 D 8.53 4.31 0.00 2.76 2.43 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 0.00 100 P 0.00 2.97 0.00 2.13 2.16 0.00 3.54 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 101 E 7.83 3.72 0.00 1.98 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 2.26 2.44 0.00 102 N 7.89 4.61 0.00 2.75 2.94 0.00 0.00 7.05 8.85 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 0.00 103 F 8.71 4.83 0.00 3.01 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 0.00 104 R 8.44 4.48 0.00 1.85 2.28 0.00 3.54 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 105 L 7.71 4.33 0.00 1.88 1.65 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.93 4.44 0.00 1.90 1.81 1.03 1.30 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 0.00 107 G 8.34 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 0.00 108 D 8.29 4.54 0.00 2.97 2.83 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 0.00 109 I 7.40 3.87 2.10 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.07 1.00 0.00 0.00 110 L 10.52 4.18 0.00 1.86 1.71 0.62 1.01 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 0.00 111 I 7.60 3.82 2.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.34 1.10 0.00 0.00 112 I 7.22 3.60 2.06 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 1.39 0.50 0.85 0.00 0.00 113 V 7.84 3.69 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 1.07 0.00 0.00 0.93 0.00 0.00 114 L 7.51 4.14 0.00 1.84 1.68 0.31 0.56 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 0.00 115 A 7.18 2.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.13 4.42 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 7.82 4.70 0.00 3.01 2.89 0.00 5.60 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 7.86 4.61 0.00 3.23 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 0.00 119 T 7.76 3.37 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 1.22 0.00 0.00 120 K 8.78 4.03 0.00 1.82 1.92 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.48 7.81 121 D 8.48 4.66 0.00 2.70 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 0.00 122 F 7.94 4.62 0.00 3.03 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 0.00 123 T 7.76 4.09 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 1.22 0.00 0.00 124 P 0.00 4.28 0.00 2.19 2.16 0.00 3.62 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 2.14 2.18 0.00 125 E 8.04 4.04 0.00 1.93 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 2.32 2.36 0.00 126 C 8.35 3.94 0.00 2.81 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 6.24 3.12 0.00 2.33 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.53 2.73 0.00 128 A 7.39 3.97 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 0.00 129 A 8.29 4.09 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 0.00 130 W 8.22 4.10 0.00 3.50 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 9.17 4.25 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.55 0.00 0.00 0.00 0.00 0.00 2.63 2.61 0.00 132 K 8.73 4.15 0.00 1.86 1.99 0.00 1.30 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.70 1.10 7.81 133 L 8.53 4.31 0.00 1.82 1.47 0.04 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 134 V 8.14 4.22 2.34 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 1.07 0.00 0.00 1.14 0.00 0.00 135 R 8.59 4.19 0.00 2.03 1.99 0.00 3.32 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 136 V 7.59 3.60 2.44 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 0.88 0.00 0.00 0.95 0.00 0.00 137 V 8.46 2.90 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 -0.35 0.00 0.00 0.78 0.00 0.00 138 A 7.58 3.88 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 H 8.11 4.59 0.00 3.21 3.37 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 7.72 3.94 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 6.88 4.04 0.00 1.07 1.08 0.12 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.09 4.99 1.59 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 0.00 0.00 143 R 8.47 4.14 0.00 1.91 2.00 0.00 3.14 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 144 K 7.54 4.57 0.00 1.65 1.63 0.00 1.60 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.34 7.81 145 Y 8.44 4.84 0.00 3.16 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 0.00 146 H 9.16 4.59 0.00 3.16 3.18 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00