NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9702 8.3549 109.7355 45.4951 0.0000 172.5131 2 L 4.5007 7.8811 118.3258 50.5584 44.1245 175.9220 3 S 4.4655 8.6790 117.5164 58.0271 66.1275 174.7755 4 D 4.6677 8.6537 120.8125 57.3602 41.0007 178.2938 5 G 3.7012 8.0736 105.9697 47.5995 0.0000 175.5018 6 E 3.9659 7.9743 120.4744 59.0645 29.4014 179.3783 7 W 4.3476 8.0864 119.0742 59.9112 29.0888 178.6743 8 Q 4.1048 8.7565 118.5713 58.8854 28.1225 178.7419 9 Q 4.0259 8.1968 119.1854 58.9362 28.7105 178.8484 10 V 3.7102 7.9720 119.1896 66.3008 31.4149 178.0207 11 L 4.2176 8.1618 116.5535 56.9914 41.5545 178.5544 12 N 4.5368 8.0234 117.4435 56.3678 39.0227 177.0847 13 V 3.6031 7.9678 119.7370 65.8443 31.7175 177.7751 14 W 4.2309 8.7399 128.4620 60.3918 30.1645 178.0078 15 G 3.6571 7.7093 105.0975 47.7354 0.0000 175.5173 16 K 4.0262 7.8685 120.5307 59.1089 32.0601 179.6873 17 V 2.8259 6.9649 118.1124 65.6155 31.1519 177.8027 18 E 3.8168 7.4182 116.9484 58.8466 29.2383 178.6789 19 A 4.3041 7.0499 119.7984 54.2509 19.0306 177.2201 20 D 4.4864 7.8010 116.6377 52.4989 42.7453 175.3703 21 I 3.7438 8.0658 120.1344 63.2505 37.9982 177.8929 22 A 4.1042 7.9743 122.3425 54.8394 18.1386 179.6850 23 G 3.5605 8.4127 105.6660 47.7317 0.0000 175.7514 24 H 4.1790 8.1764 118.7051 58.2855 28.6881 177.9658 25 G 3.6953 8.5587 108.2287 47.9621 0.0000 175.6890 26 Q 3.8948 8.1174 120.4447 58.7630 28.6068 178.0935 27 E 3.8051 7.8675 121.3903 58.7987 29.5867 178.8856 28 V 3.5142 7.7776 118.1772 66.0683 31.5427 177.9820 29 L 3.4437 7.5864 118.4822 57.7006 41.3464 179.6373 30 I 3.6357 7.7341 119.8231 64.2424 37.0081 178.4468 31 R 3.7939 8.0330 119.6211 59.2237 29.9115 178.0663 32 L 3.9312 7.8952 120.1637 58.5436 41.5802 179.1384 33 F 4.5728 8.2019 117.9938 60.6244 38.6092 177.7894 34 T 4.1603 8.1061 109.1033 64.4501 68.9615 177.0142 35 G 3.6405 8.0241 107.7618 46.4340 0.0000 173.6794 36 H 4.8217 8.0432 117.4934 51.7899 29.5676 171.7916 37 P 4.7215 0.0000 0.0000 64.5927 31.1721 177.5617 38 E 4.0680 8.2392 116.1463 59.4034 29.6039 179.1058 39 T 3.9709 8.3606 111.3658 64.4148 68.8076 176.3297 40 L 3.4930 7.7920 123.5192 57.8833 41.8218 178.6337 41 E 4.1284 7.7306 116.0774 58.7874 29.4225 178.8551 42 K 4.4260 8.0261 117.0187 56.9564 32.5107 176.6842 43 F 4.5667 8.0738 118.9003 55.5218 38.8401 176.2350 44 D 4.4383 8.6164 126.6674 56.5053 40.7495 177.5645 45 E 4.3791 7.6662 116.0307 56.2669 30.5895 176.1683 46 F 5.0677 7.4788 115.8294 56.6816 40.5385 176.5126 47 K 4.1292 7.9836 120.2535 58.7997 32.3331 177.4944 48 H 4.5427 8.1608 114.3220 56.9993 29.3657 176.0509 49 L 4.4648 7.3630 122.1145 53.5935 39.7421 176.4381 50 K 4.1342 8.6540 120.7024 57.7687 33.0448 178.0354 51 T 4.6765 7.6533 108.8595 59.2193 72.7503 174.1917 52 E 3.8595 8.7698 121.9283 59.7868 29.1778 179.1525 53 A 3.9895 7.8952 120.0364 55.1820 18.3036 179.3392 54 E 4.0040 7.6766 115.3494 59.5819 29.8900 179.1579 55 M 4.1400 8.1842 118.8404 58.4875 31.8764 178.9694 56 K 3.9634 7.7850 116.7649 59.0263 32.2079 178.2139 57 A 4.5232 7.3213 117.2560 51.0056 18.9045 176.4931 58 S 4.6248 7.4320 114.2703 56.8069 63.8084 174.9140 59 E 4.1100 8.7133 127.9451 59.0510 29.2817 178.9004 60 D 4.4668 8.0808 119.1211 57.1657 40.9615 178.2042 61 L 3.1474 7.7276 120.7205 57.7930 42.0433 178.8868 62 K 3.8526 7.7751 119.0704 59.5880 32.0403 178.6179 63 E 4.0039 8.3320 118.9193 59.4855 29.3656 178.7371 64 H 4.3398 8.4031 118.5193 59.3137 30.0979 177.3716 65 G 3.6835 8.2042 107.5317 48.2055 0.0000 175.7735 66 T 3.8665 7.8048 117.8055 66.3375 68.5221 176.7461 67 V 3.6062 7.8628 120.2346 66.1400 31.5010 177.9808 68 V 3.5953 7.7743 117.5527 66.3606 31.3389 178.1121 69 L 4.2550 7.9196 118.0885 57.8065 41.4415 179.4264 70 T 3.9995 8.2433 113.2959 64.8093 67.2319 176.2841 71 A 3.9845 8.0907 122.9465 55.1493 18.4658 179.4366 72 L 3.7781 8.0577 119.0753 57.8550 42.0813 179.3122 73 G 3.0101 8.4449 106.2749 47.4386 0.0000 175.5449 74 G 3.7782 7.4855 106.8135 47.7929 0.0000 175.4197 75 I 3.8550 7.5630 122.3325 63.9462 37.1231 178.6069 76 L 3.9287 7.6752 119.8475 57.5297 41.1685 179.3620 77 K 3.9914 7.6770 116.6868 57.9980 32.2784 178.4608 78 K 3.9709 7.6961 118.2778 55.6419 33.0400 176.2987 79 K 2.0000 8.0705 118.6807 56.3090 29.6450 175.6473 80 G 4.0019 7.3950 104.9379 46.1685 0.0000 173.2604 81 H 4.6530 7.4021 119.1344 55.0882 27.2676 174.7588 82 H 5.4916 7.6063 112.0212 53.8283 29.9445 176.4639 83 E 3.9929 8.5938 121.1947 60.5639 28.8968 178.4944 84 A 4.0548 7.9623 119.9434 54.4193 18.3216 178.6923 85 E 4.2066 8.0788 116.6076 58.8068 29.8899 178.5581 86 L 4.0404 8.4148 121.0221 57.6301 42.0788 178.3593 87 K 3.8040 7.9637 119.8350 59.2597 32.0404 176.4462 88 P 4.2425 0.0000 0.0000 66.1074 30.9360 178.1040 89 L 4.0098 7.4370 115.2564 57.4953 41.5322 179.3903 90 A 4.2333 8.2676 120.8361 55.1909 18.1894 179.7390 91 Q 3.8793 8.3496 116.8851 59.2055 28.8549 179.1780 92 S 4.0137 8.6611 115.5621 61.8422 62.9871 176.2223 93 H 4.1569 8.9517 120.0426 58.1668 26.9768 177.7717 94 A 2.5800 8.1897 123.2957 54.6225 18.0395 179.4158 95 T 3.9534 7.5864 106.3641 62.9076 69.4758 175.5225 96 K 4.0800 7.5530 121.7588 58.5311 32.9991 177.3461 97 H 4.2014 7.4515 115.5641 56.5975 29.5199 175.6569 98 K 3.4775 6.8089 115.1539 57.2227 29.2828 176.9281 99 I 4.2835 7.8549 118.8759 59.0428 37.6304 175.0305 100 P 4.5745 0.0000 0.0000 61.6965 31.9324 177.8306 101 I 3.6361 8.2951 120.4712 63.9256 37.7789 178.1190 102 K 3.6739 7.9001 120.2856 59.7012 31.9221 178.1276 103 Y 4.2093 7.9697 116.8299 60.8402 37.7410 178.3735 104 L 4.1995 7.9648 120.3076 57.4140 41.6895 179.0736 105 E 3.9610 7.8705 119.0592 59.1567 29.6299 178.4090 106 F 4.4889 7.8592 117.9038 61.0191 39.0637 177.6067 107 I 3.7581 8.1366 117.9143 64.2192 37.5475 178.1208 108 S 4.2317 8.2618 116.2273 61.6808 62.6696 176.3754 109 D 4.4442 8.4646 121.4912 57.1384 40.4537 178.5705 110 A 4.0558 8.3218 121.6761 55.1988 18.2842 179.6771 111 I 3.6587 7.8146 118.2394 64.6715 37.0858 178.6982 112 I 3.8252 7.5865 120.4964 64.5807 36.9685 177.7473 113 H 4.1483 8.3411 119.0329 59.5018 29.6534 177.2618 114 V 3.5760 8.1326 120.0577 66.1538 31.4458 177.9643 115 L 3.8244 8.1162 118.8273 58.1070 41.0846 179.2628 116 H 4.4650 7.8693 115.3771 58.5830 28.7060 177.4011 117 S 4.2413 7.8317 114.4627 60.7147 62.3698 175.6400 118 K 4.1555 8.0294 119.5998 57.3441 33.2776 176.5401 119 H 4.9319 8.0203 116.1893 53.5632 29.4672 172.1151 120 P 4.4602 0.0000 0.0000 64.5257 31.6146 177.3374 121 G 4.0014 9.1875 111.7000 45.4545 0.0000 173.0158 122 D 4.7926 8.2384 117.8460 54.0280 41.8169 176.7162 123 F 4.9417 7.8446 122.1990 55.6806 38.8559 175.4811 124 G 3.7913 8.1598 112.6432 43.8423 0.0000 170.8848 125 A 3.8956 8.3652 122.6516 54.9217 18.4069 179.9411 126 D 4.1794 7.9305 116.9037 56.5793 39.6791 178.3504 127 A 3.9855 7.8564 122.1488 54.7192 18.3008 179.1263 128 Q 3.5696 8.1191 118.3339 59.0023 29.0954 178.6903 129 G 3.5603 7.8210 106.2045 47.8702 0.0000 175.4439 130 A 3.8819 7.9039 123.8555 54.8742 18.4083 179.4252 131 M 4.0541 8.2279 116.7065 59.0143 32.3510 178.5293 132 T 3.9225 8.2424 116.2029 66.6155 68.6617 176.6750 133 K 4.0610 7.9667 119.9935 59.4132 32.0655 179.2341 134 A 3.8882 7.7544 120.6760 55.2375 18.2942 179.7672 135 L 4.1239 8.0688 117.3798 57.6498 41.6388 179.6663 136 E 3.9806 8.2009 118.9206 59.1630 29.3481 178.7858 137 L 3.9267 7.9624 120.3538 58.2344 42.1634 178.5087 138 F 4.1177 8.2963 120.3560 61.5628 39.2427 177.0226 139 R 3.5678 8.2547 118.0125 59.3629 30.0025 177.9759 140 N 4.2416 8.6788 117.0994 56.8504 38.8193 176.6470 141 D 4.3779 8.4043 120.6503 57.3056 40.8421 178.8950 142 I 3.6144 7.4535 120.2723 64.0547 37.0327 178.1714 143 A 3.7795 8.0977 121.8765 55.0469 18.1629 179.5444 144 A 3.9797 7.8524 118.8736 55.2795 18.5294 180.0370 145 K 4.0632 7.7155 115.6430 59.6160 32.0884 179.2374 146 Y 4.2677 8.3609 117.2761 60.8739 37.6686 178.5677 147 K 3.9788 8.3216 120.6020 59.4857 32.1435 178.3644 148 E 3.9788 7.8416 117.5942 59.8083 29.6380 179.2633 149 L 4.2662 7.8060 115.1157 54.7022 41.8312 177.3402 150 G 3.8081 8.0929 107.3146 46.5041 0.0000 174.5274 151 F 4.5776 8.2973 124.4695 56.0487 38.1540 175.3213 152 Q 3.8736 8.4662 128.8897 58.2275 29.0996 177.3263 153 G 3.3732 6.5052 107.5510 45.3243 0.0000 172.9526 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 G 8.35 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 0.00 0.00 0.00 2 L 7.88 4.50 0.00 0.60 0.69 0.43 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.68 4.47 0.00 4.06 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 4 D 8.65 4.67 0.00 2.89 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 5 G 8.07 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 7.97 3.97 0.00 1.98 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 7 W 8.09 4.35 0.00 3.50 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 8 Q 8.76 4.10 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 9 Q 8.20 4.03 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.77 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 10 V 7.97 3.71 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 1.28 0.00 0.00 0.92 0.00 0.00 11 L 8.16 4.22 0.00 1.75 1.80 0.91 1.18 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 12 N 8.02 4.54 0.00 2.96 2.99 0.00 0.00 6.65 8.53 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 13 V 7.97 3.60 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 0.89 0.00 0.00 1.13 0.00 0.00 14 W 8.74 4.23 0.00 3.57 3.13 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 0.00 0.00 0.00 15 G 7.71 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 16 K 7.87 4.03 0.00 1.71 1.61 0.00 1.30 0.00 0.00 1.32 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.34 7.81 17 V 6.96 2.83 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.30 0.00 0.00 18 E 7.42 3.82 0.00 2.01 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 2.28 2.06 0.00 19 A 7.05 4.30 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 20 D 7.80 4.49 0.00 2.68 2.49 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 21 I 8.07 3.74 1.77 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.54 0.86 0.00 0.00 22 A 7.97 4.10 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 23 G 8.41 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 24 H 8.18 4.18 0.00 3.25 3.23 0.00 5.83 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 8.56 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.12 3.89 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 27 E 7.87 3.81 0.00 2.13 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 2.24 2.31 0.00 28 V 7.78 3.51 2.15 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 1.03 0.00 0.00 0.95 0.00 0.00 29 L 7.59 3.44 0.00 1.45 1.05 0.79 0.54 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 30 I 7.73 3.64 1.80 0.00 0.00 0.80 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 0.57 0.88 0.00 0.00 31 R 8.03 3.79 0.00 1.93 2.15 0.00 3.07 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 32 L 7.90 3.93 0.00 1.74 1.41 1.05 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.20 4.57 0.00 3.03 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.11 4.16 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 1.22 0.00 0.00 35 G 8.02 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 36 H 8.04 4.82 0.00 3.13 2.94 0.00 5.65 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 37 P 0.00 4.72 0.00 2.15 2.12 0.00 3.82 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 2.10 2.00 0.00 38 E 8.24 4.07 0.00 2.30 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 0.00 2.29 2.52 0.00 39 T 8.36 3.97 4.43 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 0.72 0.00 0.00 40 L 7.79 3.49 0.00 1.45 1.70 -0.36 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.73 4.13 0.00 2.27 2.07 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 2.38 2.55 0.00 42 K 8.03 4.43 0.00 1.99 1.76 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.23 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.73 1.96 7.81 43 F 8.07 4.57 0.00 3.19 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 44 D 8.62 4.44 0.00 2.57 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 45 E 7.67 4.38 0.00 1.16 1.61 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 2.10 2.13 0.00 46 F 7.48 5.07 0.00 2.86 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 47 K 7.98 4.13 0.00 1.85 2.12 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.41 7.81 48 H 8.16 4.54 0.00 3.30 3.46 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.36 4.46 0.00 1.65 1.59 0.87 0.71 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 50 K 8.65 4.13 0.00 1.77 1.85 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.35 7.81 51 T 7.65 4.68 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 1.20 0.00 0.00 52 E 8.77 3.86 0.00 2.04 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 2.36 2.38 0.00 53 A 7.90 3.99 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 54 E 7.68 4.00 0.00 2.07 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 2.33 2.33 0.00 55 M 8.18 4.14 0.00 2.04 2.25 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.58 0.00 56 K 7.78 3.96 0.00 1.89 1.85 0.00 1.55 0.00 0.00 1.99 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.47 7.81 57 A 7.32 4.52 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 7.43 4.62 0.00 3.85 3.75 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 59 E 8.71 4.11 0.00 2.04 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 2.40 2.34 0.00 60 D 8.08 4.47 0.00 2.88 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 61 L 7.73 3.15 0.00 1.25 1.56 0.71 0.38 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 62 K 7.78 3.85 0.00 1.83 1.88 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.43 7.81 63 E 8.33 4.00 0.00 2.29 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 2.36 2.51 0.00 64 H 8.40 4.34 0.00 3.64 3.50 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 65 G 8.20 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 66 T 7.80 3.87 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 1.23 0.00 0.00 67 V 7.86 3.61 2.22 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 1.06 0.00 0.00 1.02 0.00 0.00 68 V 7.77 3.60 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.98 0.00 0.00 69 L 7.92 4.26 0.00 1.84 1.87 0.85 0.61 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 70 T 8.24 4.00 4.32 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 1.37 0.00 0.00 71 A 8.09 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 8.06 3.78 0.00 1.60 1.61 0.11 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.44 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 0.00 0.00 0.00 74 G 7.49 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 0.00 0.00 0.00 75 I 7.56 3.85 1.87 0.00 0.00 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 1.54 0.93 0.94 0.00 0.00 76 L 7.68 3.93 0.00 1.27 1.49 0.22 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.68 3.99 0.00 1.61 1.76 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.40 7.81 78 K 7.70 3.97 0.00 1.84 1.79 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.58 7.81 79 K 8.07 2.00 0.00 1.06 0.74 0.00 1.24 0.00 0.00 1.53 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.48 0.83 7.81 80 G 7.39 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 0.00 0.00 0.00 81 H 7.40 4.65 0.00 3.08 3.32 0.00 5.60 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 82 H 7.61 5.49 0.00 3.27 3.43 0.00 5.66 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.59 3.99 0.00 2.20 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 0.00 2.38 2.34 0.00 84 A 7.96 4.05 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 85 E 8.08 4.21 0.00 2.21 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 2.37 2.42 0.00 86 L 8.41 4.04 0.00 1.69 1.75 0.71 0.52 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 87 K 7.96 3.80 0.00 2.16 1.82 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.88 7.81 88 P 0.00 4.24 0.00 2.33 2.33 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.10 0.00 89 L 7.44 4.01 0.00 2.00 1.77 1.03 1.01 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 90 A 8.27 4.23 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 91 Q 8.35 3.88 0.00 2.33 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 92 S 8.66 4.01 0.00 3.92 4.13 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 0.00 0.00 0.00 93 H 8.95 4.16 0.00 3.48 3.61 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 8.19 2.58 0.51 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 95 T 7.59 3.95 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 1.02 0.00 0.00 96 K 7.55 4.08 0.00 1.51 1.54 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 1.28 7.81 97 H 7.45 4.20 0.00 3.05 3.19 0.00 5.91 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 6.81 3.48 0.00 1.88 1.96 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.17 1.39 7.81 99 I 7.85 4.28 2.13 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.98 1.19 0.00 0.00 100 P 0.00 4.57 0.00 1.62 1.65 0.00 2.83 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 1.31 1.72 0.00 101 I 8.30 3.64 1.76 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.08 0.84 0.00 0.00 102 K 7.90 3.67 0.00 1.73 1.60 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.31 0.47 7.81 103 Y 7.97 4.21 0.00 3.20 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 7.96 4.20 0.00 1.92 1.75 0.71 0.97 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 0.00 105 E 7.87 3.96 0.00 1.98 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 2.47 2.44 0.00 106 F 7.86 4.49 0.00 3.27 2.88 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 0.00 0.00 0.00 107 I 8.14 3.76 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.39 1.11 0.00 0.00 108 S 8.26 4.23 0.00 4.12 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 0.00 109 D 8.46 4.44 0.00 2.99 2.81 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 0.00 110 A 8.32 4.06 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 0.00 111 I 7.81 3.66 2.09 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 1.56 0.83 0.97 0.00 0.00 112 I 7.59 3.83 2.14 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.33 1.17 0.00 0.00 113 H 8.34 4.15 0.00 3.25 3.48 0.00 5.60 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.13 3.58 2.07 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 1.00 0.00 0.00 1.01 0.00 0.00 115 L 8.12 3.82 0.00 1.03 0.56 0.49 1.08 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 0.00 116 H 7.87 4.46 0.00 3.27 3.39 0.00 5.65 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 0.00 117 S 7.83 4.24 0.00 3.77 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 0.00 118 K 8.03 4.16 0.00 1.59 1.46 0.00 1.64 0.00 0.00 1.41 0.00 0.00 2.40 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.27 1.44 7.81 119 H 8.02 4.93 0.00 3.23 3.18 0.00 5.63 0.00 0.00 0.00 0.00 6.76 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 4.46 0.00 2.17 2.11 0.00 3.52 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 121 G 9.19 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 0.00 0.00 0.00 122 D 8.24 4.79 0.00 2.85 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.84 4.94 0.00 2.73 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.16 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.37 3.90 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 7.93 4.18 0.00 2.85 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.86 3.99 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 3.57 0.00 1.47 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 129 G 7.82 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 0.00 130 A 7.90 3.88 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 0.00 131 M 8.23 4.05 0.00 2.41 2.31 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.77 0.00 132 T 8.24 3.92 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 1.23 0.00 0.00 133 K 7.97 4.06 0.00 1.83 1.69 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.54 7.81 134 A 7.75 3.89 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 0.00 135 L 8.07 4.12 0.00 1.92 1.81 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.20 3.98 0.00 2.22 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 2.35 2.52 0.00 137 L 7.96 3.93 0.00 1.98 1.96 1.18 0.78 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 0.00 138 F 8.30 4.12 0.00 3.09 3.28 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 0.00 139 R 8.25 3.57 0.00 2.19 2.03 0.00 3.12 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 140 N 8.68 4.24 0.00 2.92 2.78 0.00 0.00 7.26 8.37 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 0.00 141 D 8.40 4.38 0.00 2.70 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 0.00 142 I 7.45 3.61 1.35 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.27 0.24 0.00 0.00 143 A 8.10 3.78 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 0.00 144 A 7.85 3.98 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 0.00 145 K 7.72 4.06 0.00 1.94 1.93 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.67 1.62 7.81 146 Y 8.36 4.27 0.00 3.11 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 0.00 147 K 8.32 3.98 0.00 1.88 1.97 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.50 7.81 148 E 7.84 3.98 0.00 2.28 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 2.37 2.41 0.00 149 L 7.81 4.27 0.00 1.80 1.67 0.87 0.82 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 0.00 150 G 8.09 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 0.00 0.00 0.00 151 F 8.30 4.58 0.00 2.73 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 0.00 152 Q 8.47 3.87 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 153 G 6.51 3.37 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 0.00