NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.6759 8.3644 120.5391 53.3906 42.3143 174.8267 4 W 4.0489 8.8066 131.7067 56.8490 31.2349 170.1958 5 V 4.1314 7.8506 124.7855 59.8212 34.9812 172.7664 6 P 3.1864 0.0000 0.0000 61.4055 31.4797 174.8855 7 P 4.3564 0.0000 0.0000 61.6931 32.3423 175.3927 8 E 3.8748 8.4514 120.6468 55.8755 29.9834 176.0186 9 V 4.0846 7.8733 126.0265 61.2803 32.8400 174.7009 10 F 4.6890 8.5595 125.2022 55.3633 41.0600 174.8706 11 D 4.6223 8.7130 125.7595 53.3488 41.8050 176.1354 12 L 4.0083 8.7623 128.0118 58.1858 41.7089 179.6947 13 V 3.7755 8.1151 117.5060 66.0843 31.5364 177.9322 14 A 4.0721 8.2579 119.9988 55.2657 18.2510 179.3353 15 E 4.0255 8.6231 117.4098 59.6083 29.4847 179.3264 16 D 4.3615 8.6329 119.3935 57.2655 40.8333 178.9475 17 K 4.0976 8.3810 118.8246 59.4598 32.1012 179.2508 18 A 4.0480 8.1838 120.9509 55.1028 18.2914 179.5592 19 R 3.8238 8.3857 117.5549 60.0009 30.0076 178.1170 20 C 4.4197 8.6531 116.6628 60.1140 34.5213 175.7296 21 M 4.1697 8.6297 120.0360 58.8917 31.5299 178.2732 22 S 4.1368 8.1299 113.1602 61.4458 62.4225 175.6083 23 E 3.9610 8.3284 119.1277 57.9947 29.4460 177.0461 24 H 4.7924 7.7160 114.7950 54.7526 30.1253 174.3688 25 G 3.9315 7.8287 106.4938 46.6706 0.0000 174.2392 26 T 4.2882 7.6965 116.0202 63.0049 69.2753 175.5211 27 T 4.3970 8.6806 116.7256 60.5938 71.7130 175.9100 28 Q 3.8962 8.4815 121.9376 59.2337 29.0416 178.2333 29 A 3.9656 7.9530 121.3309 55.3548 18.3616 179.4648 30 Q 3.9272 8.0149 116.4299 59.1340 28.6769 179.0804 31 I 3.5651 7.6139 120.8146 64.4566 36.9734 178.1983 32 D 4.3872 8.3544 119.9055 57.4131 40.5282 178.6461 33 D 4.3483 8.2687 119.4162 57.3120 40.8732 178.8017 34 V 3.7111 8.0666 118.9258 66.4264 31.3402 177.8678 35 D 4.6868 8.4480 117.1952 56.6445 40.7215 177.8933 36 K 4.4668 7.6980 116.9464 56.0569 32.5817 177.2824 37 G 2.5514 7.8705 107.7763 44.6632 0.0000 172.7754 38 N 4.6755 7.8868 117.2437 51.1573 39.5788 174.3812 39 L 4.9687 8.2095 122.4904 52.9069 45.1397 176.2561 40 V 4.5621 8.0139 112.6209 59.8493 35.9160 175.9091 41 N 3.9529 8.0754 121.6268 52.5559 37.4932 175.1331 42 E 4.6556 7.3498 119.3167 53.4986 33.8936 174.9077 43 P 4.4331 0.0000 0.0000 65.0593 31.2360 178.8820 44 S 4.4541 8.0665 112.9206 60.1644 63.0475 175.6892 45 I 4.1716 7.5183 121.8522 63.6370 38.2927 177.5214 46 T 4.1518 8.1530 110.8037 65.0021 68.6890 176.0005 47 C 4.3523 8.5776 119.6239 59.4313 40.7759 175.3213 48 Y 4.0415 8.0541 120.9655 61.0483 38.4850 177.9162 49 M 4.0520 8.4121 119.5430 58.4775 32.0046 177.9719 50 Y 3.9387 8.2200 119.6679 60.9622 39.0477 177.4104 51 C 4.3445 8.4851 119.3597 59.8344 41.9499 175.6162 52 L 3.9175 7.8365 120.4292 57.6637 41.1692 179.4363 53 L 4.1128 7.9836 118.9730 57.8798 41.5982 179.2367 54 E 4.1781 8.8052 120.6426 58.5549 29.3649 178.3713 55 A 4.0440 7.8218 119.1480 53.5710 18.3103 177.7985 56 F 4.5180 7.0120 112.6697 56.7536 39.7447 175.6297 57 S 3.8207 8.1375 113.9664 59.5384 60.7773 173.3530 58 L 4.1883 7.9146 122.6239 56.7570 41.7365 177.2031 59 V 4.7964 7.1547 116.9328 59.9717 34.2105 174.4908 60 D 4.8384 8.3512 121.3577 52.7942 41.3491 176.1916 61 D 5.0093 8.6146 120.2199 53.9939 39.3790 176.0639 62 E 4.5999 8.0197 116.2557 56.3990 30.8436 175.6183 63 A 3.8127 8.7208 119.1626 53.1245 16.8521 177.8206 64 N 4.7498 9.3871 118.4144 53.6122 39.7103 174.8500 65 V 4.1952 8.3386 124.5124 62.3524 33.2455 175.1624 66 D 4.5988 8.7490 128.1556 52.9655 41.1156 176.4440 67 E 3.9700 8.7157 127.9684 59.0567 29.6027 178.1095 68 D 4.3026 8.0716 118.7617 57.3570 40.7499 178.5246 69 I 3.6813 7.8563 119.2028 64.4150 37.2581 177.8615 70 M 4.0499 7.8502 118.5847 58.7154 31.8844 178.3098 71 L 4.0188 8.1541 119.3867 57.6842 41.5001 179.7373 72 G 3.5812 7.6135 104.9730 47.6800 0.0000 174.8311 73 L 4.0795 7.4317 119.7911 56.7514 42.0475 177.7465 74 L 3.8657 7.0569 118.1803 53.2704 42.3822 175.1615 75 P 4.4947 0.0000 0.0000 62.4106 32.5275 177.1158 76 D 4.3472 8.7531 119.4515 57.6591 40.7716 178.8217 77 Q 4.2233 8.0419 114.1439 57.6343 29.1047 176.7970 78 L 4.6645 7.7948 118.1734 54.5262 42.2247 177.8267 79 Q 3.9681 7.8998 119.6927 59.1985 28.8403 178.7373 80 E 3.9575 8.0897 118.8133 59.4618 29.5223 179.5284 81 R 3.9308 7.9685 117.3595 59.2043 30.1705 178.7516 82 A 4.0253 8.6673 120.9128 55.1873 18.3808 179.3246 83 Q 3.8720 8.3341 118.2742 59.4499 29.1613 178.7109 84 S 4.0826 7.9660 113.5945 61.3109 62.5920 176.2798 85 V 3.6071 8.0665 121.2123 66.4387 31.4551 178.0211 86 M 4.2513 8.4729 118.7489 58.1217 31.5082 178.9646 87 G 3.6517 7.9914 105.4751 47.5716 0.0000 175.3419 88 K 4.1626 7.8681 120.6111 58.5000 32.3759 177.2989 89 C 4.8033 7.8346 113.2313 55.7071 41.3298 173.4054 90 L 4.9206 7.0281 120.0425 51.7883 44.2436 174.5008 91 P 4.5568 0.0000 0.0000 62.0993 32.2453 176.1520 92 T 4.1336 8.0536 108.9116 62.0614 69.4501 173.5688 93 S 4.5838 7.9783 115.5080 56.1565 65.4150 174.1323 94 G 4.0662 7.9468 113.4586 45.8145 0.0000 171.7940 95 S 4.3806 8.2336 112.8829 59.6931 63.8549 173.5742 96 D 4.4436 7.5411 119.7277 51.5090 42.5008 176.0255 97 N 4.3951 8.4311 116.5549 57.1408 38.4549 178.3477 98 C 4.6297 8.1442 117.0420 59.9875 40.0493 175.5380 99 N 4.3436 8.9940 119.1290 56.4988 38.5117 177.0046 100 K 4.2885 8.2709 121.4935 59.0597 32.0526 179.3039 101 I 3.8679 7.7104 118.6857 64.2147 36.9652 177.7214 102 Y 4.1697 8.1769 120.5655 61.0394 38.5813 178.1618 103 N 4.2354 8.6982 117.6209 55.8673 38.5143 177.2641 104 L 3.9051 8.1071 121.6788 58.1281 42.2746 178.7683 105 A 4.1883 8.2196 120.8738 55.4248 18.3276 179.8339 106 K 3.8200 8.0221 116.9923 59.4370 32.0278 178.8807 107 C 4.2469 8.4077 119.1690 59.6746 44.6354 175.8164 108 V 3.5834 8.0768 120.0199 66.1633 30.9700 178.0787 109 Q 4.0324 8.2919 117.9303 58.7295 28.2765 178.2478 110 E 3.9242 8.1295 119.7920 59.4157 29.7808 178.7900 111 S 4.4046 8.1025 114.0058 60.1421 64.5865 174.6151 112 A 4.6811 8.1335 123.9668 49.4373 18.5401 174.5329 113 P 4.6328 0.0000 0.0000 63.4864 31.9738 177.2449 114 D 4.6819 7.9494 115.7547 52.7897 40.0049 176.0252 115 V 4.1986 7.5677 119.9658 60.7830 33.5365 174.4547 116 W 5.1208 8.2342 135.0000 55.5616 33.6875 173.6845 117 F 4.8676 7.4002 123.2333 55.6339 41.0054 175.1573 118 V 4.4195 7.8919 116.5131 58.8078 35.3682 175.7486 119 I 3.6737 8.4467 114.1933 61.5791 37.0283 175.7529 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 D 8.36 4.68 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 4 W 8.81 4.05 0.00 3.31 3.17 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 5 V 7.85 4.13 1.79 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 0.73 0.00 0.00 0.89 0.00 0.00 6 P 0.00 3.19 0.00 1.94 1.99 0.00 3.49 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.16 0.00 7 P 0.00 4.36 0.00 2.15 1.94 0.00 3.65 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 8 E 8.45 3.87 0.00 1.89 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 1.47 1.91 0.00 9 V 7.87 4.08 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 0.87 0.00 0.00 0.92 0.00 0.00 10 F 8.56 4.69 0.00 3.04 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 11 D 8.71 4.62 0.00 2.76 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 12 L 8.76 4.01 0.00 1.87 1.78 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.12 3.78 2.30 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 1.08 0.00 0.00 1.01 0.00 0.00 14 A 8.26 4.07 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 15 E 8.62 4.03 0.00 2.03 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 2.69 2.65 0.00 16 D 8.63 4.36 0.00 2.89 2.73 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 17 K 8.38 4.10 0.00 2.06 2.07 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.65 1.73 7.81 18 A 8.18 4.05 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 0.00 0.00 19 R 8.39 3.82 0.00 1.94 2.09 0.00 3.20 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 20 C 8.65 4.42 0.00 3.05 3.11 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 21 M 8.63 4.17 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.57 0.00 22 S 8.13 4.14 0.00 4.07 4.01 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 0.00 0.00 0.00 23 E 8.33 3.96 0.00 1.91 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 2.31 2.48 0.00 24 H 7.72 4.79 0.00 3.37 3.34 0.00 5.72 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.83 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 26 T 7.70 4.29 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 0.85 0.00 0.00 27 T 8.68 4.40 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 1.19 0.00 0.00 28 Q 8.48 3.90 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 29 A 7.95 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 30 Q 8.01 3.93 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 31 I 7.61 3.57 1.92 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.33 0.97 0.00 0.00 32 D 8.35 4.39 0.00 2.86 2.73 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 33 D 8.27 4.35 0.00 2.88 2.87 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 34 V 8.07 3.71 2.40 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 1.40 0.00 0.00 1.15 0.00 0.00 35 D 8.45 4.69 0.00 2.93 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 36 K 7.70 4.47 0.00 1.66 1.81 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.47 7.81 37 G 7.87 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.89 4.68 0.00 2.62 2.69 0.00 0.00 6.66 8.50 0.00 0.00 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 L 8.21 4.97 0.00 1.67 1.73 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.01 4.56 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 0.72 0.00 0.00 0.93 0.00 0.00 41 N 8.08 3.95 0.00 1.44 2.27 0.00 0.00 6.81 7.65 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 42 E 7.35 4.66 0.00 1.98 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 2.23 2.28 0.00 43 P 0.00 4.43 0.00 2.16 2.12 0.00 3.86 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 44 S 8.07 4.45 0.00 4.04 4.03 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 45 I 7.52 4.17 1.91 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 1.76 1.36 1.10 0.00 0.00 46 T 8.15 4.15 4.58 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 1.38 0.00 0.00 47 C 8.58 4.35 0.00 3.04 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 48 Y 8.05 4.04 0.00 3.20 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 49 M 8.41 4.05 0.00 2.24 2.40 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.07 2.81 0.00 50 Y 8.22 3.94 0.00 3.27 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 8.49 4.34 0.00 3.16 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 52 L 7.84 3.92 0.00 1.77 1.68 0.72 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.98 4.11 0.00 1.69 1.58 0.79 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.81 4.18 0.00 2.20 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 2.33 2.45 0.00 55 A 7.82 4.04 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 56 F 7.01 4.52 0.00 2.97 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 57 S 8.14 3.82 0.00 4.04 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.91 4.19 0.00 1.82 1.64 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.15 4.80 1.85 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 0.21 0.00 0.00 0.77 0.00 0.00 60 D 8.35 4.84 0.00 2.82 2.77 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 61 D 8.61 5.01 0.00 2.82 3.01 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 0.00 0.00 0.00 62 E 8.02 4.60 0.00 2.12 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 2.22 2.30 0.00 63 A 8.72 3.81 1.56 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 64 N 9.39 4.75 0.00 2.89 2.76 0.00 0.00 6.66 7.56 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 65 V 8.34 4.20 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 0.72 0.00 0.00 0.86 0.00 0.00 66 D 8.75 4.60 0.00 2.73 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.72 3.97 0.00 2.05 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 2.34 2.36 0.00 68 D 8.07 4.30 0.00 2.87 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 69 I 7.86 3.68 1.84 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 0.72 0.90 0.00 0.00 70 M 7.85 4.05 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 71 L 8.15 4.02 0.00 1.67 1.65 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.61 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.43 4.08 0.00 1.53 1.53 0.74 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.06 3.87 0.00 1.67 1.32 0.65 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.49 0.00 2.45 2.18 0.00 3.59 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.09 0.00 76 D 8.75 4.35 0.00 2.72 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 77 Q 8.04 4.22 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 78 L 7.79 4.66 0.00 1.85 1.88 1.18 0.92 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 79 Q 7.90 3.97 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.81 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 80 E 8.09 3.96 0.00 2.06 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 2.40 2.46 0.00 81 R 7.97 3.93 0.00 1.90 2.01 0.00 3.15 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 82 A 8.67 4.03 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 83 Q 8.33 3.87 0.00 2.23 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 84 S 7.97 4.08 0.00 3.97 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.07 3.61 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 1.02 0.00 0.00 1.01 0.00 0.00 86 M 8.47 4.25 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.88 0.00 87 G 7.99 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 7.87 4.16 0.00 1.79 2.06 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 89 C 7.83 4.80 0.00 3.07 3.10 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 90 L 7.03 4.92 0.00 1.73 1.53 0.90 0.84 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 91 P 0.00 4.56 0.00 2.18 2.07 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 92 T 8.05 4.13 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 93 S 7.98 4.58 0.00 3.84 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 94 G 7.95 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 95 S 8.23 4.38 0.00 4.00 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 96 D 7.54 4.44 0.00 2.90 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 97 N 8.43 4.40 0.00 2.66 2.58 0.00 0.00 6.83 7.66 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 98 C 8.14 4.63 0.00 2.99 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 99 N 8.99 4.34 0.00 2.90 2.91 0.00 0.00 7.18 6.77 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 0.00 100 K 8.27 4.29 0.00 2.17 1.93 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.59 1.55 7.81 101 I 7.71 3.87 2.20 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.46 1.03 0.00 0.00 102 Y 8.18 4.17 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 0.00 103 N 8.70 4.24 0.00 3.06 2.88 0.00 0.00 6.71 7.19 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 0.00 104 L 8.11 3.91 0.00 1.86 1.87 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.22 4.19 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 0.00 106 K 8.02 3.82 0.00 1.51 1.69 0.00 1.42 0.00 0.00 1.23 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.55 0.89 7.81 107 C 8.41 4.25 0.00 3.08 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 0.00 108 V 8.08 3.58 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 1.21 0.00 0.00 1.02 0.00 0.00 109 Q 8.29 4.03 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.64 0.00 110 E 8.13 3.92 0.00 2.04 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 2.34 0.00 111 S 8.10 4.40 0.00 3.92 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 0.00 112 A 8.13 4.68 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.63 0.00 2.03 2.10 0.00 3.71 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 114 D 7.95 4.68 0.00 2.75 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 0.00 115 V 7.57 4.20 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 0.14 0.00 0.00 0.87 0.00 0.00 116 W 8.23 5.12 0.00 3.18 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 0.00 117 F 7.40 4.87 0.00 2.68 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 0.00 118 V 7.89 4.42 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 0.86 0.00 0.00 0.95 0.00 0.00 119 I 8.45 3.67 1.83 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 1.31 0.85 0.85 0.00 0.00