NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4125 8.3049 120.3263 55.0764 33.3335 175.1015 2 S 4.2409 8.3186 118.2498 56.7618 64.1292 172.3434 3 S 4.2271 8.2951 116.8531 58.1696 63.2298 174.4039 4 Q 4.2509 8.8280 125.9413 57.7351 28.4207 176.5401 5 I 4.3206 7.0888 109.5109 60.6219 39.3717 176.1127 6 R 4.3904 7.3263 120.8509 56.3335 30.2188 175.4810 7 Q 4.2668 8.8247 120.8467 56.5818 31.7894 173.1892 8 N 4.3778 9.1045 122.3165 54.5315 37.4086 173.1161 9 Y 4.7426 7.2929 118.7574 55.2204 38.5081 175.2200 10 S 4.1752 8.0696 122.5523 58.2093 65.3417 175.0563 11 T 3.7594 8.1884 113.7453 64.7568 68.6870 176.6688 12 D 4.2626 7.8459 121.4811 57.1786 40.9099 178.7077 13 V 3.4862 7.3279 118.8279 65.8646 31.5349 177.4421 14 E 3.8508 7.7792 120.0533 58.4946 29.3111 178.8679 15 A 3.8761 7.9883 120.2524 55.1976 18.5025 179.5895 16 A 4.0058 7.9277 119.0606 54.7759 18.2250 180.2064 17 V 3.5323 7.8837 117.2870 66.4170 31.5858 178.0357 18 N 4.2356 7.9364 115.6950 56.1454 38.2650 177.4324 19 S 4.1178 8.0306 114.7996 61.1595 62.4771 175.8846 20 L 3.9992 8.2339 123.5394 57.9223 41.6997 178.9594 21 V 3.7974 8.1914 118.6910 66.2823 31.4948 177.5351 22 N 4.3242 7.9522 116.6765 56.6663 38.7495 176.5495 23 L 4.0021 8.0308 121.7865 58.2102 42.1022 178.6574 24 Y 4.0528 8.3418 117.1008 61.0578 37.9299 178.0452 25 L 4.1217 8.4715 120.3269 57.7354 41.5719 179.4840 26 Q 4.0333 8.1824 119.2777 59.3081 29.0277 178.1768 27 A 3.9116 8.0827 121.8146 55.0473 18.3763 179.4508 28 S 4.2863 8.8111 112.1509 61.9540 62.6488 175.8803 29 Y 4.5681 8.3332 122.1387 61.0793 38.5224 178.0210 30 T 3.8521 8.2268 116.7802 66.9668 68.5637 176.3087 31 Y 4.0923 8.1129 118.7977 60.7730 37.8402 178.2674 32 L 4.2088 8.2578 121.4762 58.3520 42.2303 179.0046 33 S 4.3200 8.1015 112.4915 61.4504 62.4890 176.0880 34 L 3.7636 7.7941 121.7686 57.5678 41.0276 179.5759 35 G 3.8696 8.4591 104.7021 48.2229 0.0000 175.4963 36 F 4.3295 8.6903 119.8731 59.0494 38.9576 177.4125 37 Y 4.2995 8.2400 120.1730 60.8130 38.7561 177.2564 38 F 4.1570 8.4299 116.2044 58.7032 38.7841 175.9568 39 D 4.5912 7.5343 117.0688 53.8975 41.9247 176.5541 40 R 4.1261 7.4629 119.1819 56.4869 30.6157 177.5112 41 D 3.8380 8.6712 120.8698 55.8273 39.5272 176.8939 42 D 4.5709 7.9564 117.3780 53.8516 40.3996 176.7787 43 V 3.7764 7.6342 117.8518 64.5842 33.1990 175.6415 44 A 3.8246 8.2364 120.4290 53.7038 16.4274 178.5251 45 L 4.7364 8.0309 122.1717 51.3518 42.5593 177.4122 46 E 3.9888 8.5502 123.1362 59.1598 29.7137 178.1814 47 G 3.5079 7.9427 104.9835 47.8447 0.0000 175.6503 48 V 3.1791 7.4961 120.9211 65.2345 31.5272 177.7300 49 S 4.1358 8.1333 112.9679 61.7671 62.2557 175.5574 50 H 4.0598 8.4335 121.1458 59.1145 29.4047 176.7275 51 F 4.0741 7.9844 122.3659 61.6268 39.1717 177.2832 52 F 4.1202 7.6749 117.0249 60.3456 38.5203 178.0505 53 R 3.9986 8.0865 117.9514 59.1096 29.7046 178.9302 54 E 3.8716 7.9314 118.6005 59.2826 29.4547 179.3255 55 L 3.6603 7.3203 118.8767 57.4099 41.3095 179.3842 56 A 4.1680 7.8960 120.9477 54.9943 18.3019 179.1437 57 E 3.9677 7.8431 117.8788 58.9951 29.8764 178.6266 58 E 3.9173 8.2242 119.0072 59.2684 29.5088 179.4607 59 K 4.2111 8.2697 118.6134 59.3955 32.2703 179.3513 60 R 3.1780 7.6664 119.1456 59.3242 30.0525 178.4814 61 E 3.9536 8.1973 118.1711 58.6587 29.3556 179.5499 62 G 3.2363 7.5155 106.0820 47.8877 0.0000 175.5451 63 Y 4.3262 7.7750 121.1166 59.4395 37.9579 178.1272 64 E 4.1204 7.6257 120.3394 59.2196 29.4204 179.2145 65 R 3.9718 7.9612 118.7159 59.2972 30.0712 178.6171 66 L 4.2416 8.3129 118.8299 58.0585 41.7736 179.5423 67 L 4.0331 8.5348 119.3145 57.4481 41.3556 179.6253 68 K 3.9376 8.2587 119.7912 59.7641 32.2651 178.4976 69 M 3.8835 8.3300 118.8028 58.7383 32.1184 177.3618 70 Q 3.8029 8.2232 119.6987 59.7298 28.9240 178.2738 71 N 4.2960 7.8990 116.3714 56.5919 38.6992 177.2243 72 Q 4.0668 7.4493 118.4319 59.0725 29.2741 178.7697 73 R 3.7682 7.7302 118.7777 57.2971 29.7124 178.1679 74 G 4.0637 7.6257 104.8259 45.1979 0.0000 174.3195 75 G 4.5924 7.7982 107.4843 45.2225 0.0000 172.7867 76 R 4.5386 8.4875 118.4122 53.6966 32.2959 176.3691 77 A 4.2164 8.4089 125.9183 52.0025 19.0152 176.8678 78 L 4.4355 8.5007 121.8967 53.1350 44.7155 176.2553 79 F 4.7692 8.5489 122.5537 56.2662 40.3997 175.1844 80 Q 4.7843 8.2770 121.4784 53.5287 32.1688 175.1326 81 D 4.4477 8.5249 118.7267 54.8420 41.3026 176.5539 82 I 4.3536 7.9444 122.3606 59.2298 38.0224 176.1068 83 K 4.1209 8.6315 126.1740 55.7987 32.4207 177.4984 84 K 4.0349 8.5582 122.7370 56.0011 32.9124 174.8769 85 P 4.3659 0.0000 0.0000 62.3523 31.8447 177.6064 86 A 4.0373 8.6709 123.4735 54.5641 18.3803 176.9886 87 E 4.3180 6.6637 113.3487 54.5391 33.0518 174.9547 88 D 4.6601 7.8642 116.6345 54.3801 43.3769 176.6699 89 E 4.0224 7.2717 116.9361 54.2501 32.5818 175.2358 90 W 4.4536 6.5497 122.3626 55.6893 30.4865 177.6908 91 G 3.7266 7.2578 109.8103 47.2243 0.0000 176.9656 92 K 4.6451 9.3396 125.6668 54.7975 34.7264 176.9808 93 T 4.3001 8.7545 116.9547 67.0770 68.3246 174.8311 94 P 4.4371 0.0000 0.0000 65.6763 31.3678 178.3097 95 D 4.4268 8.2997 116.9107 57.6042 40.8561 178.6075 96 A 4.2554 8.4381 121.1254 55.4303 18.3685 179.3680 97 M 4.3154 8.8341 117.2895 58.8764 32.2919 178.6443 98 K 4.0875 8.7467 118.9654 59.3967 32.1260 179.2216 99 A 4.0559 8.3403 120.9131 55.1201 18.4546 179.5763 100 A 3.8258 8.3131 119.5037 55.3166 18.4539 179.5172 101 M 4.0455 8.5756 117.0123 58.7070 32.3510 178.1637 102 A 3.9443 8.2952 121.2203 55.3323 18.6091 179.2108 103 L 3.8662 8.1829 118.8216 58.3395 41.9041 179.2637 104 E 3.9895 8.1614 118.0241 59.5006 29.4421 179.2872 105 K 3.7086 8.0352 118.4981 59.3431 32.0495 179.3151 106 K 3.9098 8.1847 119.7599 59.5454 32.1727 178.9515 107 L 3.8455 7.9460 119.3359 57.6828 41.5108 178.9615 108 N 4.3238 8.9657 118.0884 56.6363 38.8739 176.6689 109 Q 3.9199 8.4447 120.9967 59.2995 29.2434 178.0345 110 A 4.0072 7.9641 121.7041 55.0788 18.2833 179.7106 111 L 3.9092 7.8525 117.4562 58.1062 41.7174 179.5995 112 L 4.0487 8.0349 118.8537 57.9413 41.4469 179.4500 113 D 4.3534 8.2842 118.8279 57.3682 40.8457 178.6423 114 L 4.0358 8.0464 120.6537 57.9948 42.0124 178.5986 115 H 4.1518 8.2112 118.4228 59.1399 29.8655 177.0726 116 A 4.0492 8.4090 123.0512 55.1324 18.0998 179.3971 117 L 4.0921 8.5145 119.3161 57.9310 42.0905 179.3860 118 G 3.6433 7.9908 105.9779 47.4724 0.0000 176.1438 119 S 4.0937 8.0958 117.2507 61.2990 62.6542 176.3107 120 A 3.9629 7.6774 123.2528 55.6241 18.1003 178.7936 121 R 4.1212 7.7491 110.8186 56.0744 30.4660 177.0338 122 T 3.4453 7.4225 107.6770 63.0763 67.7626 173.7241 123 D 4.8293 8.3676 121.6996 52.1323 41.5077 174.1707 124 P 4.3403 0.0000 0.0000 65.4449 31.4252 177.9583 125 H 4.0906 8.1852 117.6977 59.0602 29.9495 176.7641 126 L 4.0457 8.1737 121.9221 58.3946 41.8684 178.6107 127 C 4.1421 7.9326 116.3052 62.9944 28.0620 175.6677 128 D 4.4928 8.4031 119.6862 57.2908 40.9209 177.7724 129 F 4.1290 8.6427 121.6113 61.5513 39.2313 177.2279 130 L 4.2934 8.4052 118.3614 57.7987 41.2992 179.1168 131 E 3.9858 8.2695 117.6624 59.7664 29.4809 179.4818 132 T 3.8844 8.0597 114.7341 66.6019 68.7620 175.9933 133 H 4.5018 7.3647 113.7940 55.4988 29.6231 175.1448 134 F 4.7015 7.6315 117.4389 58.8034 41.3367 176.7014 135 L 4.0248 8.4623 120.7534 58.3701 41.4607 179.4083 136 D 4.3388 8.0406 116.9344 57.2088 41.2660 177.7429 137 E 3.9690 8.1736 118.7331 59.6624 29.4819 179.1360 138 E 4.0812 8.3753 118.4741 59.2431 29.4255 179.6206 139 V 3.6066 7.5951 118.0619 65.9381 31.6313 178.2372 140 K 3.9455 8.1247 118.2631 59.4849 32.0143 179.1473 141 L 4.0575 8.1346 120.5778 58.0778 41.9117 179.0944 142 I 3.8456 8.0767 120.1103 63.9827 37.0442 178.1727 143 K 3.8932 8.3146 120.7904 59.4681 32.0277 178.7518 144 K 4.2997 7.9523 121.1589 59.3582 32.0899 178.7419 145 M 4.3394 8.2127 118.9012 58.2308 31.9902 178.9870 146 G 3.6379 8.4614 106.2976 47.6347 0.0000 175.5706 147 D 4.3405 7.9684 121.1479 57.5919 40.9061 178.4684 148 H 4.2015 7.9775 116.5596 59.0636 28.8575 177.8233 149 L 4.1867 8.1556 120.6238 58.0886 41.4210 179.9171 150 T 3.9032 7.8372 115.2326 66.8434 68.4801 176.7056 151 N 4.4439 8.2303 118.3390 56.0660 38.2784 177.6389 152 L 4.0322 8.2798 120.4377 58.0191 41.8046 178.6592 153 H 4.3189 8.0208 116.8732 58.9994 29.8475 177.0315 154 R 4.0865 7.7637 120.0140 58.9406 29.9654 176.6701 155 L 4.3085 7.6262 122.2166 54.9196 41.8432 176.5442 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.41 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 S 8.32 4.24 0.00 3.94 3.82 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 3 S 8.30 4.23 0.00 3.97 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 4 Q 8.83 4.25 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.62 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 5 I 7.09 4.32 1.84 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 1.17 0.69 0.90 0.00 0.00 6 R 7.33 4.39 0.00 1.90 1.99 0.00 3.22 0.00 0.00 3.05 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 7 Q 8.82 4.27 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.11 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 8 N 9.10 4.38 0.00 2.88 2.88 0.00 0.00 7.02 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 9 Y 7.29 4.74 0.00 3.01 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 10 S 8.07 4.18 0.00 3.99 3.92 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 11 T 8.19 3.76 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 12 D 7.85 4.26 0.00 2.67 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 13 V 7.33 3.49 1.98 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 1.08 0.00 0.00 0.90 0.00 0.00 14 E 7.78 3.85 0.00 1.55 1.87 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 2.24 2.41 0.00 15 A 7.99 3.88 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 16 A 7.93 4.01 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 17 V 7.88 3.53 2.29 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 1.15 0.00 0.00 1.03 0.00 0.00 18 N 7.94 4.24 0.00 2.88 2.76 0.00 0.00 6.75 8.95 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 19 S 8.03 4.12 0.00 3.89 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 20 L 8.23 4.00 0.00 1.94 1.86 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.19 3.80 2.33 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 1.15 0.00 0.00 1.07 0.00 0.00 22 N 7.95 4.32 0.00 2.80 2.99 0.00 0.00 6.93 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.03 4.00 0.00 1.79 1.77 0.88 0.64 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 24 Y 8.34 4.05 0.00 3.58 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 25 L 8.47 4.12 0.00 1.84 1.65 0.84 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.18 4.03 0.00 2.35 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 27 A 8.08 3.91 1.45 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 0.00 0.00 0.00 28 S 8.81 4.29 0.00 4.22 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 29 Y 8.33 4.57 0.00 3.25 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.23 3.85 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 0.89 0.00 0.00 31 Y 8.11 4.09 0.00 3.30 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.26 4.21 0.00 2.15 2.16 1.30 1.10 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 33 S 8.10 4.32 0.00 4.01 4.22 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 34 L 7.79 3.76 0.00 1.54 1.13 -0.20 -0.08 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 35 G 8.46 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 36 F 8.69 4.33 0.00 3.33 3.26 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 37 Y 8.24 4.30 0.00 3.41 3.33 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 38 F 8.43 4.16 0.00 3.22 3.25 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 39 D 7.53 4.59 0.00 2.60 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 40 R 7.46 4.13 0.00 1.85 1.89 0.00 3.32 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 41 D 8.67 3.84 0.00 2.79 2.82 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 42 D 7.96 4.57 0.00 2.79 2.82 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 43 V 7.63 3.78 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 0.47 0.00 0.00 0.25 0.00 0.00 44 A 8.24 3.82 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.03 4.74 0.00 1.93 1.61 1.10 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.55 3.99 0.00 2.02 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 2.34 2.38 0.00 47 G 7.94 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.50 3.18 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.70 0.00 0.00 49 S 8.13 4.14 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.43 4.06 0.00 3.29 3.47 0.00 5.85 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 7.98 4.07 0.00 2.88 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 52 F 7.67 4.12 0.00 3.15 3.16 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 53 R 8.09 4.00 0.00 1.91 1.93 0.00 2.70 0.00 0.00 3.02 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.90 0.00 54 E 7.93 3.87 0.00 1.96 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 55 L 7.32 3.66 0.00 0.87 0.54 0.04 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.90 4.17 1.52 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 0.00 0.00 0.00 57 E 7.84 3.97 0.00 2.18 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 2.35 0.00 58 E 8.22 3.92 0.00 2.14 1.93 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 2.24 2.48 0.00 59 K 8.27 4.21 0.00 2.16 2.26 0.00 2.17 0.00 0.00 1.87 0.00 0.00 3.05 0.00 0.00 3.52 0.00 0.00 0.00 0.00 1.99 1.99 7.81 60 R 7.67 3.18 0.00 1.96 2.01 0.00 3.08 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.63 0.00 61 E 8.20 3.95 0.00 2.07 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 2.21 2.35 0.00 62 G 7.52 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 0.00 0.00 0.00 63 Y 7.78 4.33 0.00 3.32 3.39 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 64 E 7.63 4.12 0.00 1.96 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 0.00 2.37 2.07 0.00 65 R 7.96 3.97 0.00 2.02 2.21 0.00 2.58 0.00 0.00 2.63 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.66 0.00 66 L 8.31 4.24 0.00 2.10 1.83 1.03 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.53 4.03 0.00 1.97 1.85 1.32 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.26 3.94 0.00 2.16 2.03 0.00 1.56 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.51 7.81 69 M 8.33 3.88 0.00 1.74 1.62 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.22 0.00 70 Q 8.22 3.80 0.00 2.28 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.51 0.00 0.00 0.00 0.00 0.00 2.35 2.63 0.00 71 N 7.90 4.30 0.00 2.85 2.88 0.00 0.00 7.21 8.02 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 72 Q 7.45 4.07 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.02 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 73 R 7.73 3.77 0.00 0.80 0.66 0.00 2.86 0.00 0.00 2.73 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.95 0.00 74 G 7.63 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 0.00 0.00 0.00 75 G 7.80 4.59 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 0.00 76 R 8.49 4.54 0.00 1.78 1.81 0.00 3.34 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 77 A 8.41 4.22 0.96 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 78 L 8.50 4.44 0.00 1.44 1.48 0.87 0.79 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 79 F 8.55 4.77 0.00 3.04 2.91 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 80 Q 8.28 4.78 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 81 D 8.52 4.45 0.00 2.68 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 82 I 7.94 4.35 1.84 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.52 0.99 0.00 0.00 83 K 8.63 4.12 0.00 1.98 1.78 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.46 7.81 84 K 8.56 4.03 0.00 1.73 1.85 0.00 1.51 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.41 7.81 85 P 0.00 4.37 0.00 2.40 2.24 0.00 3.29 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.77 0.00 86 A 8.67 4.04 1.22 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 0.00 0.00 87 E 6.66 4.32 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 88 D 7.86 4.66 0.00 2.42 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 7.27 4.02 0.00 1.63 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 2.21 2.17 0.00 90 W 6.55 4.45 0.00 2.92 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 91 G 7.26 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 92 K 9.34 4.65 0.00 2.11 1.88 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.55 7.81 93 T 8.75 4.30 4.37 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 1.20 0.00 0.00 94 P 0.00 4.44 0.00 2.25 2.19 0.00 3.73 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 2.19 2.26 0.00 95 D 8.30 4.43 0.00 3.20 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 96 A 8.44 4.26 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 0.00 0.00 0.00 0.00 0.00 97 M 8.83 4.32 0.00 2.36 2.35 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.74 0.00 98 K 8.75 4.09 0.00 2.08 1.92 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.72 7.81 99 A 8.34 4.06 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.31 3.83 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 M 8.58 4.05 0.00 2.31 2.22 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.66 0.00 102 A 8.30 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 0.00 103 L 8.18 3.87 0.00 1.63 1.70 0.83 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.16 3.99 0.00 2.32 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 2.79 2.62 0.00 105 K 8.04 3.71 0.00 2.00 1.89 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.61 7.81 106 K 8.18 3.91 0.00 1.89 1.90 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.46 7.81 107 L 7.95 3.85 0.00 1.88 1.54 0.86 -0.20 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 0.00 108 N 8.97 4.32 0.00 2.90 2.99 0.00 0.00 6.87 7.05 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 0.00 109 Q 8.44 3.92 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 110 A 7.96 4.01 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 0.00 111 L 7.85 3.91 0.00 2.03 1.77 1.12 0.53 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 0.00 112 L 8.03 4.05 0.00 1.85 1.74 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 113 D 8.28 4.35 0.00 2.91 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 0.00 114 L 8.05 4.04 0.00 1.79 1.85 0.94 0.94 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 0.00 115 H 8.21 4.15 0.00 3.42 3.52 0.00 5.64 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 0.00 116 A 8.41 4.05 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 0.00 117 L 8.51 4.09 0.00 1.85 1.83 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 118 G 7.99 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 S 8.10 4.09 0.00 4.08 3.92 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 0.00 120 A 7.68 3.96 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 0.00 121 R 7.75 4.12 0.00 1.77 1.96 0.00 3.45 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.67 0.00 122 T 7.42 3.45 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 1.27 0.00 0.00 123 D 8.37 4.83 0.00 2.67 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 0.00 124 P 0.00 4.34 0.00 2.33 2.32 0.00 3.79 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 2.12 2.05 0.00 125 H 8.19 4.09 0.00 3.24 3.50 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.17 4.05 0.00 1.93 1.73 0.98 1.07 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 0.00 127 C 7.93 4.14 0.00 3.12 3.19 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 8.40 4.49 0.00 2.87 2.82 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 0.00 129 F 8.64 4.13 0.00 3.12 3.26 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 0.00 130 L 8.41 4.29 0.00 2.08 1.85 1.04 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.27 3.99 0.00 2.12 2.03 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 2.38 2.62 0.00 132 T 8.06 3.88 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 0.86 0.00 0.00 133 H 7.36 4.50 0.00 2.29 2.62 0.00 5.60 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 7.63 4.70 0.00 3.17 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.46 4.02 0.00 1.70 1.76 0.87 1.15 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 0.00 136 D 8.04 4.34 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 0.00 137 E 8.17 3.97 0.00 2.20 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 2.31 2.30 0.00 138 E 8.38 4.08 0.00 2.08 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 0.00 2.71 2.62 0.00 139 V 7.60 3.61 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 1.12 0.00 0.00 0.99 0.00 0.00 140 K 8.12 3.95 0.00 2.02 1.85 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.81 7.81 141 L 8.13 4.06 0.00 1.90 1.91 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 142 I 8.08 3.85 1.98 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 1.47 0.64 0.95 0.00 0.00 143 K 8.31 3.89 0.00 1.92 2.07 0.00 1.52 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 144 K 7.95 4.30 0.00 2.01 2.00 0.00 1.78 0.00 0.00 1.88 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.27 7.81 145 M 8.21 4.34 0.00 2.28 2.39 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.85 0.00 146 G 8.46 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 D 7.97 4.34 0.00 2.83 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 0.00 148 H 7.98 4.20 0.00 3.32 3.24 0.00 5.63 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 0.00 149 L 8.16 4.19 0.00 1.90 1.77 0.99 0.70 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 0.00 150 T 7.84 3.90 4.41 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 1.21 0.00 0.00 151 N 8.23 4.44 0.00 2.76 2.86 0.00 0.00 7.10 6.82 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 0.00 152 L 8.28 4.03 0.00 1.61 1.77 0.95 1.06 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 0.00 153 H 8.02 4.32 0.00 3.27 3.53 0.00 5.75 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 R 7.76 4.09 0.00 1.98 2.19 0.00 3.32 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 155 L 7.63 4.31 0.00 1.80 1.56 0.91 1.07 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