NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2305 8.1233 123.5826 50.7060 20.6488 177.4158 2 T 3.4846 7.8711 110.0042 62.9913 65.9827 171.5066 3 S 4.3932 8.3958 119.4695 60.4130 64.6883 174.4610 4 T 4.3722 7.4140 119.2581 61.4879 66.7786 175.0970 5 K 3.8776 8.2766 125.7999 57.0982 32.6043 177.8929 6 K 3.8789 7.2242 116.2085 57.7194 31.9037 174.8393 7 L 5.2657 7.5545 114.2879 55.1646 42.0958 176.2820 8 H 4.4706 8.0007 115.1499 54.1535 29.3852 175.2436 9 K 4.1348 8.1208 123.5036 56.6616 33.2808 175.8111 10 E 4.9118 8.9036 116.7313 55.9706 33.3993 174.3516 11 A 5.0335 8.1815 128.4501 50.7799 24.3514 177.6598 12 A 4.7520 5.8000 128.7563 51.5713 21.8825 177.1434 13 T 4.6991 7.0807 108.9415 61.1310 74.3435 172.8716 14 L 4.7387 8.3246 126.8980 54.0038 42.5420 176.1740 15 I 3.9220 8.8682 128.4082 63.0540 37.4883 176.5518 16 K 4.3010 7.5737 120.2065 56.0869 35.1382 173.1692 17 A 4.7222 8.7169 127.9873 51.4173 20.2701 176.9732 18 I 4.2089 9.0153 123.2251 62.8806 38.7180 177.3595 19 D 4.6521 7.2773 116.6281 53.2719 41.2955 174.6615 20 G 4.1025 7.9293 113.5306 46.4781 0.0000 174.0599 21 D 4.3960 7.6216 119.2355 54.8310 41.4892 175.1144 22 T 4.7594 7.7949 116.7546 62.2688 69.3808 174.5735 23 V 4.7399 8.7149 119.8434 59.2883 36.4471 175.6662 24 K 4.6604 9.4127 124.4690 55.8265 32.7875 175.3426 25 L 4.9162 9.2022 128.5211 53.3512 44.7511 175.2917 26 M 4.7785 9.7027 127.7782 55.2235 32.6050 173.6911 27 Y 4.8066 9.6913 128.8142 56.1485 41.6944 175.3752 28 K 3.6992 9.0447 122.7807 57.6093 31.7835 175.3184 29 G 3.9681 9.0341 104.3236 46.0314 0.0000 173.5299 30 Q 4.5817 8.9618 117.6921 54.0665 32.0494 174.3441 31 A 4.8958 8.9362 125.4634 51.5848 18.4077 176.0442 32 M 4.7043 9.2168 119.2115 54.4641 34.9025 175.7648 33 T 4.6167 8.3399 117.2387 63.5806 69.6113 173.8130 34 F 4.9119 9.8353 127.0207 56.2976 41.6391 175.5413 35 R 5.5225 8.3788 119.6705 53.0586 33.8951 174.4753 36 L 4.1786 8.6618 124.2639 55.1893 41.9118 177.1694 37 L 3.7844 7.9165 124.9286 54.8199 43.1384 177.6420 38 L 3.7002 8.4996 120.6731 55.4075 39.2522 173.8620 39 V 4.8897 6.9576 116.6404 61.5458 35.4318 174.1737 40 D 4.4215 8.8659 123.5873 53.3234 44.0142 174.2557 41 T 4.7997 8.7347 124.5377 62.0632 68.0129 171.5155 42 A 3.9871 8.8989 131.6348 51.9811 18.8358 178.0748 43 E 4.6140 8.2651 122.7309 54.8906 29.8443 175.9505 44 T 4.0403 8.0907 109.5420 62.0457 67.4719 172.9642 45 K 4.6718 8.2938 126.1701 56.9838 33.5810 176.8113 46 H 4.7455 8.2164 119.2414 55.9035 32.2424 173.0839 47 T 3.2595 7.8747 113.4700 64.4617 64.8794 172.2123 48 K 4.1627 7.9450 123.8439 57.5595 33.2962 175.8695 49 K 4.2298 7.9699 121.8462 57.9144 35.0338 174.9657 50 G 4.1671 7.6784 108.6197 45.2390 0.0000 174.9982 51 V 4.2890 7.4342 117.6132 61.9914 31.8275 175.4369 52 E 4.1739 8.3661 119.0448 58.3768 29.9000 177.6699 53 K 4.5156 7.7361 118.9058 55.5835 32.4460 174.5875 54 Y 3.4001 8.0491 111.7702 60.3787 35.7453 173.4230 55 G 3.5472 8.1876 107.4325 47.9938 0.0000 175.4832 56 A 4.1318 7.6236 122.2262 54.5883 18.2674 179.2621 57 E 3.9807 8.2040 117.2928 58.8168 29.8711 178.5146 58 A 4.0575 8.1457 121.4363 55.2874 18.4308 179.8172 59 S 4.1436 7.7908 111.1378 61.2974 63.1190 176.4575 60 A 3.9719 7.7865 124.4600 54.9629 18.1902 179.3912 61 F 4.4003 8.4911 119.3363 62.0077 39.6092 177.5421 62 T 3.4964 7.6789 114.8407 65.9695 68.1698 176.9668 63 K 3.9338 8.6594 122.5849 59.2706 32.2973 179.0914 64 K 4.0515 8.5514 119.6341 60.0350 32.8151 178.8873 65 M 4.1069 8.2450 119.3828 57.9927 32.2189 178.5672 66 V 3.6933 7.5239 112.1186 64.1174 31.9027 178.3920 67 E 4.1116 8.1431 116.6198 58.6255 29.3008 178.0400 68 N 4.5883 7.8920 115.7855 55.1987 39.5257 176.2368 69 A 4.0236 7.4696 121.2964 53.9419 18.5056 177.7542 70 K 4.2992 7.9724 114.2675 55.6144 31.8582 176.5904 71 K 4.5850 7.6740 118.9589 54.5310 35.2667 174.9959 72 I 5.0769 8.4057 127.4520 59.5277 40.7620 174.2763 73 E 5.0640 9.8022 125.9613 54.6514 33.2394 175.2822 74 V 5.0689 8.3592 116.1716 59.5536 35.5474 174.4095 75 E 4.9549 9.0421 123.9252 54.6062 32.4690 174.4728 76 F 4.6737 9.1116 126.5201 56.8128 39.8634 175.8308 77 D 4.9245 8.5669 126.2841 53.5786 42.9385 176.1854 78 K 4.1317 8.7770 118.3470 59.5422 32.3304 177.3905 79 G 3.9397 7.6518 107.8311 44.8730 0.0000 172.8883 80 Q 4.1197 8.4300 117.1879 55.9669 29.1667 177.6067 81 R 4.1967 8.6759 121.8735 58.4754 30.5281 175.7551 82 T 4.8888 7.1894 106.6174 59.2940 71.3725 174.5800 83 D 4.6032 8.6786 130.4783 54.3267 39.6790 175.9339 84 K 3.8640 7.8791 112.7210 57.5566 30.6450 175.8914 85 Y 4.7444 7.3776 111.1877 57.0409 39.8998 176.0453 86 G 3.9846 8.3060 105.9597 46.5732 0.0000 174.2285 87 R 4.3282 7.4243 118.3874 54.8216 33.2104 175.7392 88 G 4.0571 8.5781 104.9847 44.0659 0.0000 171.1790 89 L 4.5426 8.8243 122.7071 55.5133 42.5703 176.6173 90 A 4.0697 8.0830 125.7639 51.6739 23.4158 174.6581 91 Y 4.2592 8.0488 117.1733 57.8678 39.6051 175.1094 92 I 4.6448 7.9215 123.3038 59.9494 39.8590 174.1757 93 Y 5.1675 9.1161 123.3726 56.2548 41.9670 174.0354 94 A 4.9884 9.0026 125.9126 50.7312 21.6969 176.2159 95 D 4.3242 10.3328 124.0383 55.3191 40.3579 174.0846 96 G 3.9058 8.4442 101.3404 45.7897 0.0000 173.5060 97 K 4.6239 8.4659 120.0167 54.1770 35.0333 175.1935 98 M 4.4087 8.4436 124.0319 54.5591 32.4005 177.5128 99 V 3.4029 8.1728 124.7178 65.7080 31.6715 177.5055 100 N 4.2182 7.8983 116.3401 56.2036 36.9109 176.6914 101 E 3.9431 8.1297 120.5767 58.9060 29.7949 179.0698 102 A 3.9068 8.0179 120.6883 55.0804 18.3238 179.7893 103 L 4.2489 8.4712 117.9127 58.1389 41.6938 179.9006 104 V 4.0679 8.1087 119.8465 65.6667 31.3257 178.0568 105 R 4.0136 8.5012 117.8426 58.4981 30.1183 177.2942 106 Q 4.0483 7.7920 115.6724 56.3811 29.5879 176.2027 107 G 3.8138 7.9619 106.6090 46.1947 0.0000 174.6169 108 L 4.4671 8.5650 119.2113 54.4363 45.1692 178.3234 109 A 4.9240 7.6682 119.2921 50.0294 22.6962 176.1776 110 K 4.9677 8.4262 120.9914 55.6151 36.1529 174.8910 111 V 4.4229 8.3551 120.0038 61.9574 31.9606 176.8439 112 A 4.1276 7.8170 131.5284 51.9972 19.9545 176.1319 113 Y 4.6585 8.1659 114.0597 57.1654 40.3985 174.5340 114 V 3.8935 8.2409 125.2954 61.1620 32.7700 175.2552 115 Y 4.5018 8.0474 125.6499 60.3102 37.9970 176.8851 116 K 4.2614 7.9509 114.3646 57.6704 34.4089 173.0152 117 G 4.1827 9.3905 111.1221 45.8171 0.0000 173.2784 118 N 4.9222 7.7201 119.5001 52.0394 38.6299 174.3723 119 N 5.0110 8.2078 125.6692 52.5682 40.1947 176.8293 120 T 4.1601 7.7682 117.1688 66.6226 69.2226 176.0767 121 H 4.6768 8.1406 116.2187 55.7863 29.0155 176.5962 122 E 4.1481 8.1341 122.0630 58.6735 29.3596 178.8396 123 Q 3.9790 7.9653 118.2292 59.2323 29.0015 178.1096 124 L 4.0846 7.8376 120.3205 58.6046 40.6659 179.0219 125 L 4.0000 8.0724 119.9033 57.8270 41.5974 179.5309 126 R 3.9752 7.9207 118.0111 59.0513 29.9335 178.7964 127 K 3.9507 7.8613 118.0888 59.5420 32.1016 179.2137 128 S 4.1283 8.3312 113.6502 61.2996 62.1892 175.8617 129 E 4.2469 8.2928 121.7512 59.2326 29.4517 178.5448 130 A 3.8753 8.1576 120.9305 55.3687 18.5309 179.5951 131 Q 3.9774 8.2727 116.2781 59.1557 28.6985 179.0067 132 A 4.1724 8.1011 121.3680 54.5294 18.2145 179.7781 133 K 3.8615 8.1074 118.1814 59.7837 32.4122 179.0649 134 K 4.1006 8.2241 117.6972 59.2736 32.0002 178.7485 135 E 4.1723 8.1063 117.5334 55.8706 31.0158 176.2206 136 K 4.1551 7.8757 117.5074 56.5201 28.6075 174.5862 137 L 4.0959 7.1776 119.7610 55.6042 42.2781 177.7312 138 N 4.5316 6.8992 113.9999 54.0265 42.1586 176.6289 139 I 3.5493 7.3803 114.6770 63.7206 37.4011 177.1840 140 W 5.1613 7.6378 118.8568 56.6853 29.0086 176.6658 141 S 4.8946 8.3250 112.0417 57.8593 61.6192 174.8909 142 E 4.7084 8.0047 114.0415 56.1746 29.8531 174.9994 143 D 4.9198 8.0910 115.5728 53.7393 40.3462 176.3811 144 N 4.2615 8.0001 118.6248 53.8858 39.1108 174.5060 145 A 4.1231 8.6811 129.8737 53.4076 19.0566 176.3165 146 D 4.2729 7.5968 114.6299 55.0195 39.2237 174.4773 147 S 4.2623 7.7644 113.8296 57.7534 60.7561 169.8165 148 G 3.3434 9.7124 108.7501 44.1966 0.0000 171.3746 149 Q 3.8782 8.5597 123.8893 56.5201 28.7636 173.4418 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 A 8.12 4.23 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 2 T 7.87 3.48 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 1.21 0.00 0.00 3 S 8.40 4.39 0.00 4.03 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 T 7.41 4.37 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 1.23 0.00 0.00 5 K 8.28 3.88 0.00 1.86 1.85 0.00 1.69 0.00 0.00 2.03 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.49 7.81 6 K 7.22 3.88 0.00 1.91 1.95 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.56 7.81 7 L 7.55 5.27 0.00 1.68 1.77 0.86 1.12 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 8 H 8.00 4.47 0.00 3.20 3.27 0.00 5.53 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 9 K 8.12 4.13 0.00 1.75 0.75 0.00 0.72 0.00 0.00 0.61 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.15 7.81 10 E 8.90 4.91 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 11 A 8.18 5.03 1.19 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 0.00 0.00 12 A 5.80 4.75 1.25 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 0.00 0.00 13 T 7.08 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 1.21 0.00 0.00 14 L 8.32 4.74 0.00 1.59 1.54 0.93 1.12 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 15 I 8.87 3.92 2.05 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 1.15 0.55 0.93 0.00 0.00 16 K 7.57 4.30 0.00 1.79 1.59 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.25 1.27 7.81 17 A 8.72 4.72 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 18 I 9.02 4.21 1.96 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 1.29 0.72 0.88 0.00 0.00 19 D 7.28 4.65 0.00 2.55 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 20 G 7.93 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 7.62 4.40 0.00 2.72 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 22 T 7.79 4.76 4.19 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 1.16 0.00 0.00 23 V 8.71 4.74 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 0.82 0.00 0.00 0.93 0.00 0.00 24 K 9.41 4.66 0.00 1.83 1.82 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.41 7.81 25 L 9.20 4.92 0.00 1.60 1.33 0.49 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.70 4.78 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 27 Y 9.69 4.81 0.00 3.36 2.99 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 28 K 9.04 3.70 0.00 1.97 1.80 0.00 1.59 0.00 0.00 1.82 0.00 0.00 3.21 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.70 1.65 7.81 29 G 9.03 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 30 Q 8.96 4.58 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.95 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 31 A 8.94 4.90 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 32 M 9.22 4.70 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 3.03 0.00 33 T 8.34 4.62 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 1.21 0.00 0.00 34 F 9.84 4.91 0.00 3.10 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 35 R 8.38 5.52 0.00 1.64 1.70 0.00 3.25 0.00 0.00 3.33 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 36 L 8.66 4.18 0.00 1.39 1.47 0.77 0.87 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 37 L 7.92 3.78 0.00 0.85 1.02 0.94 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.50 3.70 0.00 1.77 1.76 1.11 0.77 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 39 V 6.96 4.89 1.95 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 0.73 0.00 0.00 0.89 0.00 0.00 40 D 8.87 4.42 0.00 2.73 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 0.00 0.00 0.00 0.00 41 T 8.73 4.80 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 1.15 0.00 0.00 42 A 8.90 3.99 1.35 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 0.00 0.00 43 E 8.27 4.61 0.00 1.85 1.84 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 2.18 2.27 0.00 44 T 8.09 4.04 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 45 K 8.29 4.67 0.00 1.79 1.84 0.00 1.36 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.29 1.56 7.81 46 H 8.22 4.75 0.00 3.08 3.28 0.00 5.84 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 47 T 7.87 3.26 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 1.21 0.00 0.00 48 K 7.95 4.16 0.00 1.68 1.79 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.36 7.81 49 K 7.97 4.23 0.00 1.80 1.82 0.00 1.45 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.12 1.28 7.81 50 G 7.68 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 0.00 0.00 0.00 51 V 7.43 4.29 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 0.48 0.00 0.00 0.84 0.00 0.00 52 E 8.37 4.17 0.00 2.12 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 2.26 2.29 0.00 53 K 7.74 4.52 0.00 1.79 1.86 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.35 7.81 54 Y 8.05 3.40 0.00 3.14 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 55 G 8.19 3.55 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 56 A 7.62 4.13 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 57 E 8.20 3.98 0.00 2.20 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 0.00 2.49 2.51 0.00 58 A 8.15 4.06 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 59 S 7.79 4.14 0.00 4.09 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 0.00 60 A 7.79 3.97 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 61 F 8.49 4.40 0.00 3.02 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 62 T 7.68 3.50 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 63 K 8.66 3.93 0.00 1.81 2.01 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.43 7.81 64 K 8.55 4.05 0.00 2.07 2.08 0.00 1.44 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.61 1.76 7.81 65 M 8.25 4.11 0.00 1.84 2.09 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.46 0.00 66 V 7.52 3.69 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 0.80 0.00 0.00 0.92 0.00 0.00 67 E 8.14 4.11 0.00 2.02 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 2.33 2.46 0.00 68 N 7.89 4.59 0.00 2.83 2.89 0.00 0.00 7.15 8.00 0.00 0.00 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 A 7.47 4.02 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 70 K 7.97 4.30 0.00 2.00 2.12 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.40 7.81 71 K 7.67 4.59 0.00 1.77 1.61 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.42 7.81 72 I 8.41 5.08 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 1.29 0.85 0.85 0.00 0.00 73 E 9.80 5.06 0.00 1.85 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 2.21 2.25 0.00 74 V 8.36 5.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 1.17 0.00 0.00 75 E 9.04 4.95 0.00 2.05 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 2.31 2.29 0.00 76 F 9.11 4.67 0.00 3.01 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 77 D 8.57 4.92 0.00 2.91 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.78 4.13 0.00 1.91 1.94 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.54 7.81 79 G 7.65 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 0.00 0.00 0.00 80 Q 8.43 4.12 0.00 2.28 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.43 6.97 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 81 R 8.68 4.20 0.00 1.80 1.88 0.00 2.84 0.00 0.00 2.94 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.86 0.00 82 T 7.19 4.89 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 1.25 0.00 0.00 83 D 8.68 4.60 0.00 2.83 2.79 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 84 K 7.88 3.86 0.00 1.50 1.58 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.32 7.81 85 Y 7.38 4.74 0.00 3.09 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.31 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 87 R 7.42 4.33 0.00 1.86 2.00 0.00 3.02 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.68 0.00 88 G 8.58 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 89 L 8.82 4.54 0.00 1.77 1.59 0.95 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.08 4.07 0.33 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 91 Y 8.05 4.26 0.00 3.08 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 7.92 4.64 1.67 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.32 0.76 0.00 0.00 93 Y 9.12 5.17 0.00 2.98 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 9.00 4.99 1.18 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 0.00 0.00 95 D 10.33 4.32 0.00 2.66 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 96 G 8.44 3.91 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 0.00 0.00 0.00 97 K 8.47 4.62 0.00 1.75 1.86 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.41 7.81 98 M 8.44 4.41 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.61 0.00 99 V 8.17 3.40 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 0.76 0.00 0.00 0.80 0.00 0.00 100 N 7.90 4.22 0.00 2.98 3.04 0.00 0.00 6.36 7.63 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 0.00 101 E 8.13 3.94 0.00 2.05 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 2.43 2.39 0.00 102 A 8.02 3.91 1.66 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 0.00 103 L 8.47 4.25 0.00 1.89 1.83 0.75 0.66 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 V 8.11 4.07 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 1.53 0.00 0.00 1.02 0.00 0.00 105 R 8.50 4.01 0.00 1.83 2.06 0.00 3.17 0.00 0.00 3.10 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 106 Q 7.79 4.05 0.00 2.22 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 5.55 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 107 G 7.96 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 0.00 108 L 8.57 4.47 0.00 1.67 1.75 0.99 0.43 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 0.00 109 A 7.67 4.92 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 0.00 110 K 8.43 4.97 0.00 2.33 1.77 0.00 1.15 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.29 1.37 7.81 111 V 8.36 4.42 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 0.79 0.00 0.00 1.02 0.00 0.00 112 A 7.82 4.13 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 0.00 113 Y 8.17 4.66 0.00 2.92 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 0.00 114 V 8.24 3.89 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 0.77 0.00 0.00 0.91 0.00 0.00 115 Y 8.05 4.50 0.00 3.06 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 0.00 116 K 7.95 4.26 0.00 1.87 1.81 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.36 7.81 117 G 9.39 4.18 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 0.00 0.00 0.00 118 N 7.72 4.92 0.00 2.67 2.76 0.00 0.00 6.81 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.21 5.01 0.00 2.76 2.79 0.00 0.00 7.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 T 7.77 4.16 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 121 H 8.14 4.68 0.00 3.07 3.16 0.00 5.82 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.13 4.15 0.00 2.10 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 2.44 2.55 0.00 123 Q 7.97 3.98 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 124 L 7.84 4.08 0.00 2.09 1.94 1.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.07 4.00 0.00 1.85 1.82 1.19 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 126 R 7.92 3.98 0.00 2.16 1.94 0.00 3.12 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 127 K 7.86 3.95 0.00 2.19 1.85 0.00 1.82 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.49 7.81 128 S 8.33 4.13 0.00 4.04 3.91 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 0.00 129 E 8.29 4.25 0.00 2.31 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 0.00 2.24 2.70 0.00 130 A 8.16 3.88 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 0.00 131 Q 8.27 3.98 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 132 A 8.10 4.17 1.63 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 0.00 133 K 8.11 3.86 0.00 1.47 1.67 0.00 1.60 0.00 0.00 1.55 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.37 0.95 7.81 134 K 8.22 4.10 0.00 1.71 1.85 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.49 7.81 135 E 8.11 4.17 0.00 2.13 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 2.54 0.00 136 K 7.88 4.16 0.00 1.94 1.93 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.65 1.54 7.81 137 L 7.18 4.10 0.00 1.57 1.57 0.95 1.00 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 0.00 138 N 6.90 4.53 0.00 2.03 1.42 0.00 0.00 6.08 7.52 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 0.00 139 I 7.38 3.55 0.94 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 -0.36 0.62 0.00 0.00 140 W 7.64 5.16 0.00 3.55 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 S 8.32 4.89 0.00 3.89 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 0.00 142 E 8.00 4.71 0.00 2.11 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 2.28 2.45 0.00 143 D 8.09 4.92 0.00 2.91 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 0.00 144 N 8.00 4.26 0.00 2.80 2.77 0.00 0.00 6.95 8.17 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 0.00 145 A 8.68 4.12 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 0.00 146 D 7.60 4.27 0.00 3.15 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.76 4.26 0.00 3.87 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 9.71 3.34 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 0.00 149 Q 8.56 3.88 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.60 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00