NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1312 8.0549 120.3115 61.3493 32.7664 174.7434 2 L 4.0924 8.2101 122.1270 52.0463 42.7278 176.0168 3 S 4.4879 9.0852 118.5910 57.5070 66.1729 174.8227 4 E 4.2126 8.8288 122.0891 59.6844 29.2960 178.9539 5 G 3.6374 8.1164 105.0589 47.8784 0.0000 175.3722 6 E 3.9690 7.9401 120.3867 58.9513 29.4301 179.3623 7 W 4.4245 8.0554 119.0393 59.9750 29.0064 178.6229 8 Q 4.1508 8.5686 118.3302 58.8428 28.2182 178.6939 9 L 4.0800 8.1791 120.3053 57.5873 41.6329 179.6967 10 V 3.7693 7.9682 118.3472 66.2124 31.5833 178.2150 11 L 4.2662 8.4089 118.7038 57.7065 41.3939 178.9377 12 H 4.2051 8.6777 118.8546 59.4451 29.9011 177.7063 13 V 3.6496 8.0049 113.6458 63.6150 31.4480 178.3645 14 W 3.9252 8.4105 128.3379 60.1593 30.2647 177.8413 15 A 4.0348 7.9391 120.2281 54.9080 17.8960 179.4417 16 K 3.8962 7.3575 116.6914 59.2849 32.0370 179.7200 17 V 2.7807 7.0546 118.6019 65.4698 31.0347 177.3535 18 E 4.0104 7.3374 115.6100 57.5699 29.4493 178.3333 19 A 4.1684 7.2754 121.1962 54.0161 19.9313 177.6816 20 D 4.6571 7.7523 116.3966 52.0812 42.3538 175.5600 21 V 3.4916 7.7992 123.0619 65.7168 32.0905 176.7136 22 A 4.0494 7.9874 120.1234 55.2018 18.2280 179.7310 23 G 3.6620 8.3919 105.5780 47.6303 0.0000 175.6360 24 H 4.0646 8.4343 118.8065 58.5482 28.7324 178.1208 25 G 3.5590 8.3231 107.7250 47.7452 0.0000 175.6114 26 Q 3.9492 8.0767 120.4561 59.0488 28.8183 178.9065 27 D 4.2793 8.2200 119.8281 57.3359 40.7265 179.0833 28 I 3.6579 8.0053 120.7716 64.5766 37.0194 178.2249 29 H 3.5051 7.9778 117.0277 58.5662 28.4220 177.9305 30 I 3.6283 7.7233 121.7730 64.2041 36.8182 178.5013 31 R 3.7805 7.8488 119.4797 59.3192 30.0053 178.1975 32 L 3.8975 8.0247 120.5073 58.3983 42.1527 178.9781 33 F 4.6447 8.5957 117.7499 59.9631 38.5971 177.9508 34 K 4.1638 8.0272 117.8529 59.3085 32.1329 179.1649 35 S 4.2931 8.0935 114.6971 60.4560 64.0106 174.4960 36 H 4.6581 8.0556 118.4811 52.1772 29.7612 171.9085 37 P 4.5829 0.0000 0.0000 64.3793 31.2871 177.4033 38 E 4.0415 8.2615 116.4350 59.8491 28.7620 178.9802 39 T 3.7686 8.1748 113.9888 64.3309 67.5383 175.7881 40 L 3.2747 7.8543 121.5211 57.1464 42.0960 178.5397 41 E 4.0745 7.9687 119.0098 59.3410 29.1370 179.1441 42 K 4.1782 7.5876 117.4758 59.1743 33.5986 177.7886 43 H 4.6823 7.8951 117.1270 54.1863 27.1659 175.7100 44 D 4.4697 8.1741 120.6896 56.3059 41.5977 177.7088 45 R 4.0195 7.5968 112.7493 56.9550 29.9943 176.5451 46 F 4.9974 8.2077 116.8868 56.8725 40.2683 176.5734 47 K 3.7161 7.5692 122.6893 59.0563 31.9015 176.9062 48 H 4.6915 8.0542 111.4470 55.2944 29.3440 174.9514 49 L 4.0081 7.7644 122.2134 54.7670 41.8190 176.8142 50 K 4.2933 8.8484 122.9927 57.2729 33.5459 176.9144 51 T 4.7030 7.4706 110.8815 59.2089 71.8839 173.8767 52 E 3.9300 8.6498 123.9953 59.3286 29.6728 178.7837 53 A 4.0224 7.9445 120.2770 55.2861 18.2869 179.3206 54 E 3.9626 8.0668 115.5760 59.6118 29.7369 179.0152 55 M 4.1996 8.1143 118.7695 58.5055 31.8726 179.0202 56 K 4.0798 8.3499 117.2744 59.0937 32.2929 178.5048 57 A 4.4959 7.7194 118.5446 52.0045 19.0341 177.8417 58 S 4.3042 7.6331 113.3360 57.3750 62.7054 174.0306 59 E 4.0185 8.7254 131.0943 59.0239 29.4649 177.9318 60 D 4.4030 8.1181 118.1290 57.1819 41.4306 177.7318 61 L 3.2527 8.0639 120.9992 57.3891 42.0392 178.7526 62 K 3.8828 8.0417 120.0411 59.2880 32.1205 178.9396 63 K 4.0056 8.3277 119.3345 60.2022 32.5407 178.3014 64 H 4.2726 8.5389 119.8958 59.2714 29.6454 177.3979 65 G 3.6300 8.2728 107.1821 47.6646 0.0000 175.9146 66 V 3.6208 7.7352 120.1129 66.0161 31.6587 178.2655 67 T 3.9023 8.1306 115.6402 66.7165 68.2443 176.4792 68 E 4.0188 8.2882 120.3831 59.5404 29.4441 179.5189 69 L 4.1772 8.3129 119.3033 57.9870 41.6285 179.6772 70 T 3.9532 8.4862 116.1369 66.5710 68.5069 176.5493 71 A 3.9795 7.9584 122.3145 55.0376 18.4131 179.4759 72 L 3.7111 8.3243 119.4255 58.0375 42.1325 179.4129 73 G 2.9971 8.3792 105.8188 47.5215 0.0000 175.5707 74 A 3.9749 7.7233 122.1576 54.7077 18.5984 179.6244 75 I 3.7477 7.3570 118.1888 64.5502 37.1860 178.5761 76 L 3.9233 7.9139 120.1930 57.6241 41.1584 179.5228 77 K 3.9642 7.6770 116.7932 58.1662 32.3015 178.4930 78 K 3.9677 7.7625 118.1027 55.4885 33.0416 176.2658 79 K 2.0000 8.1392 118.6683 56.2521 29.7104 174.6096 80 G 3.9609 7.5388 105.6959 45.7517 0.0000 173.0699 81 H 4.5915 7.4370 121.3441 55.4044 28.5107 174.3823 82 H 4.9292 7.4384 112.8833 55.1250 29.8294 176.4132 83 E 3.9703 8.5052 123.0073 60.0767 29.1495 178.4509 84 A 4.0748 8.0331 119.2162 54.2691 18.5393 178.1840 85 E 4.5068 7.9135 114.3247 56.5035 30.3272 177.8149 86 L 4.1887 7.7811 120.4245 57.3103 41.7029 179.2025 87 K 3.9479 7.9704 118.3827 59.2537 32.1043 177.6238 88 P 4.3223 0.0000 0.0000 65.2248 31.1971 178.5129 89 L 4.0337 7.5895 119.1060 58.2222 42.1122 178.8695 90 A 4.2051 8.7031 121.0829 55.2229 18.2864 179.3929 91 Q 3.9507 8.2773 118.3075 59.3890 29.3217 178.6960 92 S 4.1258 8.2921 115.3410 61.9048 63.1544 176.1402 93 H 4.3589 8.9979 119.9711 58.1072 28.2312 177.5502 94 A 3.5408 8.4934 122.9893 54.8950 18.4666 179.1125 95 T 4.2474 7.7092 105.4074 62.0928 69.4542 174.5411 96 K 4.3020 7.7208 120.1739 58.2926 33.9479 176.5020 97 H 4.5903 8.0019 112.5411 55.1815 30.1276 174.8338 98 K 3.7409 7.8544 117.9056 57.1952 28.9334 175.5431 99 I 4.3757 7.2767 117.8269 58.7376 38.8867 174.7640 100 P 4.6042 0.0000 0.0000 62.0004 32.1268 177.7822 101 I 3.6931 8.1240 121.7402 64.5735 36.8523 178.7886 102 K 3.6444 7.9555 119.8568 59.6572 31.8145 178.2595 103 Y 4.1820 7.8730 117.0377 60.8640 37.6459 178.3129 104 L 4.1766 7.8390 119.7169 57.6383 41.7700 179.1104 105 E 4.0336 8.3151 118.9585 59.1976 29.3823 179.0592 106 F 4.7177 8.1448 119.4836 60.2273 38.9315 177.4362 107 E 4.0645 8.7934 119.0306 59.3181 29.3984 178.9882 108 S 4.2132 8.4565 115.5985 61.5252 62.8290 176.2948 109 E 4.0496 8.5762 121.2051 59.5523 29.1672 179.3819 110 A 4.1225 8.1026 120.6020 55.1249 18.3852 179.7090 111 I 3.6511 8.1459 118.6717 64.7607 37.2552 178.8138 112 I 3.9366 8.3364 121.0362 64.4767 36.8064 178.1105 113 H 4.2125 8.4875 119.2328 59.2576 29.7945 177.4992 114 V 3.5068 8.1110 120.3638 66.0995 31.3687 177.9655 115 L 3.8319 8.1756 119.0645 57.8674 41.0245 179.1038 116 H 4.5424 8.1921 117.5854 59.4587 29.9470 177.2237 117 S 4.1122 8.1109 116.2760 61.3328 62.6770 176.2693 118 R 4.1170 7.6970 119.3748 57.3579 31.6028 176.5887 119 H 5.0102 8.0140 115.0811 53.8654 29.7722 172.6383 120 P 4.3614 0.0000 0.0000 65.8039 31.8417 179.4049 121 G 3.7713 8.1436 106.0909 47.2556 0.0000 173.4534 122 D 5.0166 8.0571 118.1080 54.0447 42.0667 176.7906 123 F 5.0460 8.0359 120.6140 56.0505 40.1454 173.7363 124 G 3.9793 7.5396 110.0713 43.8559 0.0000 171.5370 125 A 3.8650 8.3964 120.7643 55.4584 18.3798 179.8701 126 D 4.2135 7.9481 116.5301 57.3760 40.9297 178.7338 127 A 3.9641 7.7563 120.7240 55.3401 18.4188 179.5582 128 Q 3.5958 8.0430 117.0187 58.7348 28.6793 179.3177 129 G 3.5058 8.0695 106.6493 47.6501 0.0000 175.7070 130 A 3.8838 8.0322 123.3432 55.0161 18.3039 179.4528 131 M 4.0654 8.5422 117.2168 58.7537 32.2995 178.0233 132 N 4.3455 8.5571 117.0989 56.4172 38.7360 177.3784 133 K 4.1290 8.1936 120.6231 58.8765 32.1355 179.2736 134 A 3.9135 7.8045 120.9126 55.2128 18.2388 179.7317 135 L 4.1729 8.3362 117.9305 57.5836 41.7108 179.4620 136 E 4.0212 8.5530 118.1162 59.0392 29.5723 178.9010 137 L 4.0672 8.1691 121.4579 57.9063 42.1524 178.6491 138 F 4.1278 8.4586 120.5107 61.4748 39.2749 177.2248 139 R 3.4928 8.3131 117.8640 58.9238 29.8696 178.9289 140 K 3.8138 8.4824 119.5626 59.7626 32.2420 178.6406 141 D 4.3033 8.1165 119.1512 57.2706 40.7340 178.5415 142 I 3.5281 7.5770 118.8512 63.2020 37.8271 177.5684 143 A 3.6540 7.7675 121.9474 55.1269 18.1427 179.3843 144 A 3.9500 7.8028 118.9803 55.3244 18.1876 180.0817 145 K 3.9636 7.7021 116.1055 59.5249 32.4746 178.6632 146 Y 4.6295 8.4604 117.5260 61.4318 37.8168 179.0327 147 K 3.9794 8.1791 118.8042 59.8071 32.0280 179.0275 148 E 3.9977 8.0891 117.2657 59.4358 29.5035 178.7834 149 L 4.3148 7.5828 115.5237 54.7182 42.2813 176.8227 150 G 3.6446 7.9693 105.5980 44.8566 0.0000 170.5756 151 Y 3.6402 8.3357 116.2608 58.3958 37.0371 171.3508 152 Q 4.3225 8.6482 122.1787 55.6201 30.0680 176.3271 153 G 4.0197 8.6311 107.6594 45.9112 0.0000 173.6978 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 4.13 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 0.93 0.00 0.00 1.01 0.00 0.00 2 L 8.21 4.09 0.00 0.84 0.64 0.56 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.09 4.49 0.00 4.02 3.97 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 4 E 8.83 4.21 0.00 2.18 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 2.43 2.51 0.00 5 G 8.12 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 6 E 7.94 3.97 0.00 1.90 1.72 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 2.22 2.26 0.00 7 W 8.06 4.42 0.00 3.60 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.57 4.15 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.83 0.00 9 L 8.18 4.08 0.00 1.89 1.78 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.97 3.77 2.51 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 1.20 0.00 0.00 1.00 0.00 0.00 11 L 8.41 4.27 0.00 1.85 1.80 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.68 4.21 0.00 3.36 3.58 0.00 5.77 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 13 V 8.00 3.65 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 1.25 0.00 0.00 1.04 0.00 0.00 14 W 8.41 3.93 0.00 3.62 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 15 A 7.94 4.03 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 16 K 7.36 3.90 0.00 1.59 1.40 0.00 1.55 0.00 0.00 1.40 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.39 7.81 17 V 7.05 2.78 0.79 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 0.04 0.00 0.00 0.18 0.00 0.00 18 E 7.34 4.01 0.00 2.06 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 2.31 2.28 0.00 19 A 7.28 4.17 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 20 D 7.75 4.66 0.00 2.66 2.52 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 21 V 7.80 3.49 2.04 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 1.05 0.00 0.00 0.89 0.00 0.00 22 A 7.99 4.05 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 23 G 8.39 3.66 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 0.00 0.00 0.00 24 H 8.43 4.06 0.00 3.15 3.20 0.00 5.63 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 25 G 8.32 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.08 3.95 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.59 0.00 27 D 8.22 4.28 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 8.01 3.66 1.74 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 1.47 0.64 0.80 0.00 0.00 29 H 7.98 3.51 0.00 3.06 2.39 0.00 5.82 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 30 I 7.72 3.63 1.81 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 1.41 0.73 0.90 0.00 0.00 31 R 7.85 3.78 0.00 1.96 2.05 0.00 3.04 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 32 L 8.02 3.90 0.00 1.72 1.52 1.06 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.60 4.64 0.00 3.01 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 34 K 8.03 4.16 0.00 1.70 1.83 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.77 7.81 35 S 8.09 4.29 0.00 3.80 3.49 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 0.00 0.00 0.00 0.00 36 H 8.06 4.66 0.00 3.06 2.69 0.00 5.82 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.58 0.00 2.14 2.08 0.00 3.83 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 2.08 1.97 0.00 38 E 8.26 4.04 0.00 2.39 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 0.00 2.34 2.26 0.00 39 T 8.17 3.77 4.08 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 1.56 0.00 0.00 40 L 7.85 3.27 0.00 1.09 1.55 -0.46 0.63 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 41 E 7.97 4.07 0.00 2.17 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 2.47 0.00 42 K 7.59 4.18 0.00 1.98 2.06 0.00 1.93 0.00 0.00 1.85 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.77 2.24 7.81 43 H 7.90 4.68 0.00 3.51 3.54 0.00 5.83 0.00 0.00 0.00 0.00 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.17 4.47 0.00 2.83 2.64 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 45 R 7.60 4.02 0.00 1.63 1.65 0.00 2.61 0.00 0.00 2.88 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 46 F 8.21 5.00 0.00 2.96 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 47 K 7.57 3.72 0.00 1.70 2.00 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.19 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.39 7.81 48 H 8.05 4.69 0.00 3.31 3.37 0.00 5.58 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 49 L 7.76 4.01 0.00 1.61 1.61 0.78 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.85 4.29 0.00 1.88 1.84 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.49 7.81 51 T 7.47 4.70 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 1.32 0.00 0.00 52 E 8.65 3.93 0.00 2.07 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 2.36 2.37 0.00 53 A 7.94 4.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.07 3.96 0.00 2.10 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 2.40 0.00 55 M 8.11 4.20 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.66 0.00 56 K 8.35 4.08 0.00 1.79 1.85 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.59 7.81 57 A 7.72 4.50 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 58 S 7.63 4.30 0.00 3.88 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 59 E 8.73 4.02 0.00 2.14 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 2.39 2.44 0.00 60 D 8.12 4.40 0.00 2.93 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 61 L 8.06 3.25 0.00 0.88 1.35 0.80 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.04 3.88 0.00 1.93 1.94 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.43 7.81 63 K 8.33 4.01 0.00 2.06 2.09 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.76 1.54 7.81 64 H 8.54 4.27 0.00 3.54 3.64 0.00 5.78 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 65 G 8.27 3.63 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 0.00 0.00 0.00 66 V 7.74 3.62 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.93 0.00 0.00 67 T 8.13 3.90 4.46 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 1.28 0.00 0.00 68 E 8.29 4.02 0.00 2.01 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 2.39 2.44 0.00 69 L 8.31 4.18 0.00 1.88 1.85 0.94 0.89 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 70 T 8.49 3.95 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 1.25 0.00 0.00 71 A 7.96 3.98 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 72 L 8.32 3.71 0.00 1.56 1.75 0.26 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.38 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 0.00 0.00 0.00 74 A 7.72 3.97 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 75 I 7.36 3.75 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 1.51 0.66 0.84 0.00 0.00 76 L 7.91 3.92 0.00 1.22 1.51 -0.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.68 3.96 0.00 1.60 1.76 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.46 7.81 78 K 7.76 3.97 0.00 1.78 1.82 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.51 7.81 79 K 8.14 2.00 0.00 1.03 0.74 0.00 1.56 0.00 0.00 1.54 0.00 0.00 2.71 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.67 1.02 7.81 80 G 7.54 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 81 H 7.44 4.59 0.00 3.02 3.12 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.44 4.93 0.00 3.30 3.40 0.00 5.54 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 83 E 8.51 3.97 0.00 2.09 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 2.40 2.40 0.00 84 A 8.03 4.07 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 85 E 7.91 4.51 0.00 1.96 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 2.30 2.30 0.00 86 L 7.78 4.19 0.00 2.05 1.69 1.03 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.97 3.95 0.00 1.85 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.50 7.81 88 P 0.00 4.32 0.00 2.20 2.13 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.16 0.00 89 L 7.59 4.03 0.00 1.79 1.90 0.94 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.70 4.21 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 91 Q 8.28 3.95 0.00 2.19 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 92 S 8.29 4.13 0.00 4.13 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 9.00 4.36 0.00 3.59 3.67 0.00 5.81 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 94 A 8.49 3.54 1.15 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 0.00 0.00 95 T 7.71 4.25 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 1.20 0.00 0.00 96 K 7.72 4.30 0.00 1.70 1.45 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.25 1.30 7.81 97 H 8.00 4.59 0.00 3.15 3.30 0.00 5.90 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.85 3.74 0.00 1.91 1.81 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.50 7.81 99 I 7.28 4.38 2.14 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.11 1.17 0.00 0.00 100 P 0.00 4.60 0.00 1.84 1.77 0.00 2.90 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.76 0.00 101 I 8.12 3.69 1.83 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.81 0.82 0.00 0.00 102 K 7.96 3.64 0.00 1.66 1.59 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.28 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.50 1.28 7.81 103 Y 7.87 4.18 0.00 3.28 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 0.00 104 L 7.84 4.18 0.00 1.97 1.83 1.14 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.32 4.03 0.00 1.94 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 2.32 2.52 0.00 106 F 8.14 4.72 0.00 3.20 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 0.00 107 E 8.79 4.06 0.00 2.15 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 2.35 2.36 0.00 108 S 8.46 4.21 0.00 4.12 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 0.00 109 E 8.58 4.05 0.00 2.26 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 2.45 2.81 0.00 110 A 8.10 4.12 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 0.00 111 I 8.15 3.65 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.76 1.01 0.00 0.00 112 I 8.34 3.94 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.08 1.14 0.00 0.00 113 H 8.49 4.21 0.00 3.30 3.50 0.00 5.59 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 0.00 114 V 8.11 3.51 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 0.85 0.00 0.00 0.95 0.00 0.00 115 L 8.18 3.83 0.00 1.25 0.44 0.80 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.19 4.54 0.00 3.51 3.58 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.11 4.11 0.00 3.75 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 0.00 118 R 7.70 4.12 0.00 1.57 1.45 0.00 2.67 0.00 0.00 2.88 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 119 H 8.01 5.01 0.00 3.15 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.36 0.00 2.22 2.22 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.91 0.00 121 G 8.14 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 0.00 0.00 0.00 122 D 8.06 5.02 0.00 2.73 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.04 5.05 0.00 2.97 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.54 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.40 3.86 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 0.00 126 D 7.95 4.21 0.00 2.69 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 0.00 127 A 7.76 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 0.00 128 Q 8.04 3.60 0.00 1.77 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.16 1.71 0.00 129 G 8.07 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 0.00 130 A 8.03 3.88 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 M 8.54 4.07 0.00 2.43 2.40 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.86 0.00 132 N 8.56 4.35 0.00 3.04 2.87 0.00 0.00 7.03 7.62 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 0.00 133 K 8.19 4.13 0.00 1.85 1.69 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.39 1.45 7.81 134 A 7.80 3.91 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 0.00 135 L 8.34 4.17 0.00 1.78 1.84 1.01 1.05 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 0.00 136 E 8.55 4.02 0.00 2.20 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 2.54 2.48 0.00 137 L 8.17 4.07 0.00 1.85 2.04 1.05 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.46 4.13 0.00 3.14 3.23 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 0.00 139 R 8.31 3.49 0.00 2.01 1.87 0.00 3.17 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.99 0.00 140 K 8.48 3.81 0.00 1.77 1.93 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.45 7.81 141 D 8.12 4.30 0.00 2.79 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 0.00 142 I 7.58 3.53 1.19 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.52 0.25 0.00 0.00 143 A 7.77 3.65 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 0.00 144 A 7.80 3.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 K 7.70 3.96 0.00 1.84 1.90 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.60 7.81 146 Y 8.46 4.63 0.00 3.08 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 0.00 147 K 8.18 3.98 0.00 2.01 1.89 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.70 7.81 148 E 8.09 4.00 0.00 2.15 2.04 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 2.36 2.54 0.00 149 L 7.58 4.31 0.00 1.77 1.66 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.97 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 0.00 151 Y 8.34 3.64 0.00 2.93 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 0.00 152 Q 8.65 4.32 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 153 G 8.63 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