NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4915 8.1633 120.6172 54.5555 32.6263 174.1236 2 K 4.0971 7.8538 120.2202 57.1040 33.8346 172.1050 3 V 4.7894 10.5445 119.1715 60.1597 37.4680 173.2187 4 I 4.9520 9.0262 124.0247 59.6448 39.6263 175.0511 5 L 4.7149 8.4306 127.1234 54.5800 42.5457 177.3600 6 L 4.5493 8.2765 122.2678 54.6562 42.4497 176.3020 7 E 4.6467 7.7855 119.5573 53.7838 32.9187 173.6088 8 P 5.3081 0.0000 0.0000 61.5755 31.1972 176.4132 9 L 4.2075 7.6380 117.6645 56.2654 41.2919 176.5302 10 E 3.7510 9.0109 120.7888 57.7546 30.3274 177.2178 11 N 3.9706 8.2536 116.9550 53.1277 36.4781 172.2268 12 L 4.3184 7.6726 127.1123 54.1463 46.2404 173.9268 13 G 4.5308 7.6811 103.6866 45.8544 0.0000 172.5128 14 D 4.6852 8.4465 118.0206 53.3489 41.4781 176.4511 15 V 3.8330 8.2419 121.1113 65.0772 31.5373 176.1225 16 G 4.0778 9.0633 115.9660 45.2510 0.0000 173.6390 17 Q 4.0204 8.3859 122.1156 56.3287 30.3383 175.5255 18 V 4.6129 8.3710 126.3762 61.4874 30.5902 174.6514 19 V 4.5049 8.4790 125.3374 59.7254 34.0908 174.7353 20 D 5.2428 8.5687 121.5116 52.2446 41.5562 176.1034 21 V 4.4589 7.9399 112.9968 59.6352 35.3462 175.2639 22 K 4.4447 8.4643 119.0404 55.5736 34.2748 175.6126 23 P 4.3452 0.0000 0.0000 66.2759 31.2222 178.7152 24 G 3.6749 8.1733 103.6759 48.0825 0.0000 174.6469 25 Y 4.1316 8.1428 121.5377 60.4850 38.6911 177.7583 26 A 4.0421 8.6114 122.0697 55.1672 18.2368 179.6188 27 R 3.8802 8.5119 117.1616 58.7831 30.4147 178.4537 28 N 4.6602 8.2522 114.8103 55.0093 39.3412 174.8418 29 Y 4.3645 7.8311 118.8749 57.5492 40.2261 178.1346 30 L 3.5058 8.0813 115.4662 57.6898 41.8642 180.1722 31 L 3.7574 5.6200 124.2764 58.0215 42.2321 176.9632 32 P 4.1788 0.0000 0.0000 65.3390 30.0488 177.3616 33 R 4.1284 8.4847 115.6723 55.3884 30.0815 177.1358 34 G 3.9682 7.6196 105.5785 46.7214 0.0000 174.3758 35 L 4.2883 7.1760 116.0014 53.4091 41.5211 176.0183 36 A 4.4949 6.8238 120.8616 52.3587 21.3057 175.9661 37 V 4.5341 8.2665 118.2130 60.9090 35.5668 174.7130 38 L 4.4604 8.5194 123.8584 54.1847 42.4093 176.7892 39 A 4.5485 7.9447 123.4365 52.4160 17.8831 178.2282 40 T 4.1942 7.8520 110.5077 61.9782 70.6146 175.2411 41 E 3.8865 9.0651 124.0702 60.1653 29.2544 179.5650 42 S 4.1474 8.0590 110.9350 61.3290 62.3653 175.1058 43 N 4.7238 7.5931 117.0019 55.0772 39.3228 176.5823 44 L 4.1213 8.6483 121.6496 57.7237 41.7025 179.3522 45 K 3.8070 8.7431 118.4761 60.2159 32.4190 178.8350 46 A 3.9238 7.9689 121.1789 54.8239 18.1304 178.9732 47 L 3.8480 8.2609 118.0568 58.3640 42.5082 178.1419 48 E 4.0536 8.8193 119.2964 59.9620 29.4904 178.3095 49 A 4.0376 8.6505 121.1635 54.8250 18.2641 179.1268 50 R 4.0119 8.1943 113.7475 58.6994 29.7744 177.7293 51 I 4.0617 7.8838 121.0125 62.6423 37.3322 176.9225 52 R 3.9535 7.8821 122.9109 59.1265 29.8216 178.4620 53 A 4.0996 7.9948 122.4678 55.0646 18.6565 179.1868 54 Q 3.8910 7.9485 114.1584 59.2208 28.3975 178.4107 55 A 4.0495 8.3614 123.1312 54.2959 18.1509 179.7613 56 K 3.7982 8.0916 117.6551 60.2499 32.8146 179.4750 57 R 3.9832 8.0683 119.5138 58.7012 29.8893 177.2693 58 L 4.1699 8.2136 120.6169 56.3940 41.5352 177.3570 59 A 4.1006 6.6557 125.1519 53.6842 19.7908 178.1693 60 E 3.9385 8.4496 118.5879 58.0351 29.1686 177.8336 61 R 4.0242 6.2590 121.2491 58.3881 30.8381 178.4134 62 K 4.0442 8.3059 119.2575 59.7269 32.5751 179.0155 63 A 4.0711 8.2134 122.0447 54.8339 18.1526 179.4621 64 E 3.9456 8.1430 117.4183 59.4112 29.5023 179.0943 65 A 4.0272 7.9640 120.9215 55.2969 18.2575 179.4750 66 E 4.1083 8.0011 116.4325 58.9270 29.7776 179.1599 67 R 3.9575 8.1119 119.4975 59.2871 30.1789 178.4115 68 L 4.0430 8.8003 120.3204 58.5280 42.2452 178.9894 69 K 4.1434 8.1341 120.2462 59.5825 32.1221 177.7187 70 E 4.1486 7.5784 115.6954 58.7011 29.7614 178.4227 71 I 3.8699 7.3206 116.0361 62.7418 38.0393 176.7085 72 L 4.6155 7.8126 118.9809 56.0936 42.9612 179.4168 73 E 4.4184 8.0356 120.1107 55.7327 28.5077 176.6784 74 N 4.8663 9.4733 111.6825 51.7394 39.8485 173.8743 75 L 5.1940 8.6543 118.8024 51.5767 45.2631 175.4165 76 T 4.5884 7.9795 109.8578 60.2916 73.6806 177.0069 77 L 3.1666 8.5549 124.4428 57.5099 42.0010 173.5592 78 T 3.2358 8.6421 111.1151 66.0395 66.3907 173.3299 79 I 4.3828 7.8843 127.3347 58.7621 39.0812 173.6811 80 P 4.3958 0.0000 0.0000 63.8532 31.7274 177.4837 81 V 4.6052 8.4552 122.8194 60.5461 35.4407 174.7083 82 R 4.3566 8.7507 124.7776 55.8808 30.3222 175.3865 83 A 3.9355 7.9679 128.9167 51.5564 23.5532 178.2574 84 G 4.3249 9.6535 120.6783 47.8409 0.0000 170.6859 85 E 3.7573 8.0528 128.4876 55.6256 28.8849 176.4163 86 T 4.0723 8.0354 117.4598 64.6677 69.7143 176.4952 87 K 4.8277 8.7916 122.6823 55.8860 33.8361 179.1004 88 I 4.3989 7.9471 126.4825 61.0987 37.4002 175.0926 89 Y 4.7453 8.7338 128.9273 59.8795 46.2832 174.2135 90 G 4.1037 7.6705 115.3527 45.6661 0.0000 172.3373 91 S 4.4575 8.1005 114.0572 57.2659 65.7142 176.1292 92 V 3.8607 8.4334 128.0134 63.3372 32.1927 174.7890 93 T 4.8046 8.4932 117.8325 59.5451 71.6882 175.0986 94 A 3.9155 8.7466 123.9099 55.6766 18.0261 180.0745 95 K 3.8262 7.9878 115.9433 59.6832 32.2279 178.7691 96 D 4.4740 7.8948 118.5844 57.7638 40.4172 179.4891 97 I 3.6081 8.0847 119.9110 64.3808 36.9149 178.0705 98 A 3.9056 7.4413 119.7291 55.2205 18.3148 178.6449 99 E 3.9304 8.8234 117.4025 57.9284 30.1421 179.3465 100 A 4.3471 8.6203 119.3114 51.9081 18.3289 176.8007 101 L 4.1174 5.6200 129.4867 55.9135 40.5464 179.0048 102 S 5.9074 8.3270 129.5152 60.3416 60.6673 179.8125 103 R 4.0389 8.1969 121.4537 57.3129 29.9823 176.5829 104 Q 4.5965 8.0959 116.0675 56.1539 31.2221 174.6205 105 H 4.7531 8.8825 111.2712 58.6383 31.1007 172.9871 106 G 3.5516 9.0016 109.6343 44.6481 0.0000 174.4147 107 V 3.4491 7.4596 118.7361 63.4590 31.7667 175.7477 108 T 4.4188 8.1903 123.1315 61.6869 68.7072 174.3958 109 I 4.0005 7.6955 122.1178 59.7581 39.7760 175.7308 110 D 4.5325 7.8344 119.6585 50.9757 39.9715 173.1614 111 P 4.1043 0.0000 0.0000 63.1347 32.5000 176.3517 112 K 3.8379 8.5144 116.6850 56.9867 29.3315 176.2837 113 R 4.5935 7.3158 111.0564 57.5647 33.3203 176.9276 114 L 4.4764 8.0837 117.4236 54.1503 42.3647 176.1284 115 A 3.5809 8.0916 120.0630 53.4104 15.3853 177.8267 116 L 4.6700 7.7375 122.2896 54.2832 44.6470 176.4756 117 E 4.3149 8.9105 130.3497 56.0708 28.2842 180.9456 118 K 4.0197 5.6938 121.3682 56.9012 33.4250 176.3112 119 P 4.3935 0.0000 0.0000 62.9912 30.9281 175.0607 120 I 3.7778 7.4022 117.9497 61.2097 37.7491 178.3669 121 K 4.2196 8.0761 118.5589 56.5347 30.6965 175.8810 122 E 5.1886 7.5823 116.2626 53.9342 32.6709 175.8045 123 L 4.1525 8.2438 123.9326 54.4274 42.3732 176.8127 124 G 3.9931 6.8160 108.6070 44.3961 0.0000 171.1440 125 E 4.8154 7.7490 121.2978 54.9444 30.4340 174.4037 126 Y 4.7680 9.5171 125.0805 56.1203 41.8978 175.6003 127 V 5.4854 7.9107 118.9001 60.5640 30.7457 173.0691 128 L 4.6155 7.9049 122.9999 53.4038 43.3878 176.8090 129 T 4.1966 8.6157 114.9288 61.8553 69.7437 173.1620 130 Y 4.9389 8.1585 124.6450 55.7421 41.5497 177.1767 131 K 4.1200 8.1040 125.1295 55.7157 33.1569 176.5299 132 P 4.6138 0.0000 0.0000 62.7735 31.0243 176.3046 133 H 4.0997 9.1821 121.0173 59.6361 29.7376 174.2271 134 P 4.1525 0.0000 0.0000 61.4909 31.8386 175.6979 135 E 3.9546 8.5092 122.9523 56.3134 29.9964 177.4787 136 V 5.1379 7.3976 124.8922 61.4419 31.9952 167.3868 137 P 4.6380 0.0000 0.0000 63.3486 32.4077 175.7321 138 I 4.5534 8.1785 122.9691 59.4716 40.8376 175.0041 139 Q 4.7285 8.5041 126.3825 54.4139 31.3800 174.2214 140 L 5.4762 7.8682 128.8408 55.3472 46.4224 172.5679 141 K 5.8977 8.2998 124.5461 55.8559 36.2606 175.7181 142 V 4.0741 8.6537 118.7428 62.2224 34.4883 169.8262 143 S 4.6145 8.9669 115.0891 58.9524 61.8522 169.0406 144 V 4.3298 8.0625 124.5329 63.2411 34.9612 169.0147 145 V 3.0169 8.3072 124.0062 62.7871 30.8027 172.9003 146 A 4.2543 7.7255 125.6105 51.2312 18.3833 176.3618 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.16 4.49 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.55 0.00 2 K 7.85 4.10 0.00 1.81 1.77 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.49 7.81 3 V 10.54 4.79 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 0.92 0.00 0.00 1.09 0.00 0.00 4 I 9.03 4.95 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.72 0.92 0.00 0.00 5 L 8.43 4.71 0.00 1.66 1.79 0.99 0.97 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 6 L 8.28 4.55 0.00 1.50 1.68 0.92 0.74 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 7 E 7.79 4.65 0.00 1.83 1.75 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 2.20 2.47 0.00 8 P 0.00 5.31 0.00 2.23 2.22 0.00 3.44 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.92 0.00 9 L 7.64 4.21 0.00 1.86 1.79 1.14 0.83 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 10 E 9.01 3.75 0.00 1.97 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 0.00 2.31 2.29 0.00 11 N 8.25 3.97 0.00 2.77 2.98 0.00 0.00 6.82 7.78 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 12 L 7.67 4.32 0.00 1.80 1.64 0.92 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.68 4.53 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 0.00 0.00 0.00 14 D 8.45 4.69 0.00 2.73 2.60 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 0.00 0.00 0.00 0.00 15 V 8.24 3.83 2.09 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 0.79 0.00 0.00 0.97 0.00 0.00 16 G 9.06 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 0.00 0.00 0.00 0.00 17 Q 8.39 4.02 0.00 2.33 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 18 V 8.37 4.61 2.09 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 0.89 0.00 0.00 0.94 0.00 0.00 19 V 8.48 4.50 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 0.79 0.00 0.00 0.95 0.00 0.00 20 D 8.57 5.24 0.00 2.76 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.94 4.46 2.18 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 0.82 0.00 0.00 1.11 0.00 0.00 22 K 8.46 4.44 0.00 1.86 1.75 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.51 7.81 23 P 0.00 4.35 0.00 2.17 2.16 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 24 G 8.17 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.14 4.13 0.00 2.99 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 26 A 8.61 4.04 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 27 R 8.51 3.88 0.00 1.84 2.02 0.00 3.16 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 28 N 8.25 4.66 0.00 2.85 2.89 0.00 0.00 6.85 7.17 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 29 Y 7.83 4.36 0.00 2.54 2.25 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 30 L 8.08 3.51 0.00 1.80 1.42 1.12 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 31 L 5.62 3.76 0.00 1.81 1.66 0.93 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.18 0.00 1.93 2.05 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 33 R 8.48 4.13 0.00 1.48 1.71 0.00 2.49 0.00 0.00 2.89 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.42 0.00 34 G 7.62 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 35 L 7.18 4.29 0.00 1.63 1.65 0.65 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 36 A 6.82 4.49 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 37 V 8.27 4.53 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 1.01 0.00 0.00 0.92 0.00 0.00 38 L 8.52 4.46 0.00 1.55 1.59 0.92 0.80 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 39 A 7.94 4.55 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 40 T 7.85 4.19 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 41 E 9.07 3.89 0.00 2.03 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 2.41 2.40 0.00 42 S 8.06 4.15 0.00 3.85 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 43 N 7.59 4.72 0.00 3.10 2.82 0.00 0.00 6.92 6.62 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 44 L 8.65 4.12 0.00 1.74 1.67 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.74 3.81 0.00 1.94 2.09 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.73 1.41 7.81 46 A 7.97 3.92 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 47 L 8.26 3.85 0.00 1.64 1.93 0.92 0.23 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 48 E 8.82 4.05 0.00 2.07 2.18 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 2.32 2.51 0.00 49 A 8.65 4.04 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 50 R 8.19 4.01 0.00 1.98 2.08 0.00 3.05 0.00 0.00 3.33 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.68 0.00 51 I 7.88 4.06 2.11 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 0.91 0.91 0.00 0.00 52 R 7.88 3.95 0.00 1.94 2.08 0.00 3.11 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.91 0.00 53 A 7.99 4.10 1.40 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 0.00 0.00 54 Q 7.95 3.89 0.00 2.29 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 55 A 8.36 4.05 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.09 3.80 0.00 2.03 2.30 0.00 1.23 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.71 7.81 57 R 8.07 3.98 0.00 2.00 2.06 0.00 3.12 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 58 L 8.21 4.17 0.00 1.78 1.67 0.87 0.63 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 59 A 6.66 4.10 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.45 3.94 0.00 2.10 1.78 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 2.28 2.32 0.00 61 R 6.26 4.02 0.00 1.94 1.97 0.00 3.18 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 62 K 8.31 4.04 0.00 2.04 2.27 0.00 1.22 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.50 7.81 63 A 8.21 4.07 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 64 E 8.14 3.95 0.00 2.19 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 2.35 2.48 0.00 65 A 7.96 4.03 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 66 E 8.00 4.11 0.00 2.18 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 2.30 0.00 67 R 8.11 3.96 0.00 2.04 2.07 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 68 L 8.80 4.04 0.00 1.93 1.82 0.97 0.67 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 69 K 8.13 4.14 0.00 1.99 1.96 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.66 7.81 70 E 7.58 4.15 0.00 2.03 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 2.32 2.31 0.00 71 I 7.32 3.87 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.75 0.99 0.00 0.00 72 L 7.81 4.62 0.00 1.78 1.72 1.06 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.04 4.42 0.00 2.19 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 2.34 2.41 0.00 74 N 9.47 4.87 0.00 2.81 2.67 0.00 0.00 6.59 7.67 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 75 L 8.65 5.19 0.00 1.46 1.60 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.98 4.59 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 1.28 0.00 0.00 77 L 8.55 3.17 0.00 1.87 1.85 0.94 0.73 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 78 T 8.64 3.24 4.50 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 0.00 0.00 0.00 1.22 0.00 0.00 79 I 7.88 4.38 1.88 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 1.45 0.21 0.90 0.00 0.00 80 P 0.00 4.40 0.00 2.08 2.11 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 81 V 8.46 4.61 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 1.03 0.00 0.00 1.05 0.00 0.00 82 R 8.75 4.36 0.00 1.81 1.97 0.00 3.28 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 83 A 7.97 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 9.65 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 0.00 0.00 0.00 0.00 85 E 8.05 3.76 0.00 2.12 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 2.19 2.25 0.00 86 T 8.04 4.07 4.20 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 1.19 0.00 0.00 87 K 8.79 4.83 0.00 1.49 1.58 0.00 1.73 0.00 0.00 2.30 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.28 7.81 88 I 7.95 4.40 1.97 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.77 1.02 0.00 0.00 89 Y 8.73 4.75 0.00 2.97 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 90 G 7.67 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 91 S 8.10 4.46 0.00 3.83 3.69 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 92 V 8.43 3.86 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 0.87 0.00 0.00 0.91 0.00 0.00 93 T 8.49 4.80 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 1.26 0.00 0.00 94 A 8.75 3.92 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 95 K 7.99 3.83 0.00 1.75 1.84 0.00 1.69 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.46 7.81 96 D 7.89 4.47 0.00 3.03 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 97 I 8.08 3.61 1.94 0.00 0.00 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 1.39 0.73 0.84 0.00 0.00 98 A 7.44 3.91 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 99 E 8.82 3.93 0.00 1.97 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 0.00 100 A 8.62 4.35 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 0.00 101 L 5.62 4.12 0.00 1.69 1.65 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.33 5.91 0.00 4.18 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 0.00 103 R 8.20 4.04 0.00 1.71 2.14 0.00 3.25 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 104 Q 8.10 4.60 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 105 H 8.88 4.75 0.00 3.10 3.25 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 9.00 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 0.00 107 V 7.46 3.45 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 0.84 0.00 0.00 0.97 0.00 0.00 108 T 8.19 4.42 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 1.20 0.00 0.00 109 I 7.70 4.00 1.49 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.62 0.72 0.00 0.00 110 D 7.83 4.53 0.00 2.74 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 0.00 111 P 0.00 4.10 0.00 2.02 2.02 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 112 K 8.51 3.84 0.00 1.81 1.79 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.36 1.42 7.81 113 R 7.32 4.59 0.00 2.22 1.98 0.00 3.32 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.71 0.00 114 L 8.08 4.48 0.00 1.62 1.71 0.89 0.62 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 0.00 115 A 8.09 3.58 1.49 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 0.00 0.00 116 L 7.74 4.67 0.00 1.50 1.54 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.91 4.31 0.00 1.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 118 K 5.69 4.02 0.00 1.92 1.81 0.00 1.63 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 1.43 1.41 7.81 119 P 0.00 4.39 0.00 2.03 2.07 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 120 I 7.40 3.78 1.78 0.00 0.00 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 1.36 1.16 0.80 0.00 0.00 121 K 8.08 4.22 0.00 1.97 1.99 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.38 7.81 122 E 7.58 5.19 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 123 L 8.24 4.15 0.00 1.59 1.63 0.97 0.92 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 0.00 124 G 6.82 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 0.00 0.00 0.00 125 E 7.75 4.82 0.00 1.90 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 2.18 2.34 0.00 126 Y 9.52 4.77 0.00 2.89 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 0.00 127 V 7.91 5.49 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 0.74 0.00 0.00 0.96 0.00 0.00 128 L 7.90 4.62 0.00 1.70 1.60 1.02 0.64 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 0.00 129 T 8.62 4.20 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 1.28 0.00 0.00 130 Y 8.16 4.94 0.00 2.85 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 0.00 131 K 8.10 4.12 0.00 1.73 1.71 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.43 1.38 7.81 132 P 0.00 4.61 0.00 1.99 1.89 0.00 3.49 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 133 H 9.18 4.10 0.00 3.10 3.36 0.00 5.72 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 0.00 134 P 0.00 4.15 0.00 2.26 1.98 0.00 3.74 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 1.86 1.96 0.00 135 E 8.51 3.95 0.00 1.91 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 2.27 2.28 0.00 136 V 7.40 5.14 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 0.53 0.00 0.00 0.99 0.00 0.00 137 P 0.00 4.64 0.00 2.12 2.11 0.00 3.87 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 2.09 1.97 0.00 138 I 8.18 4.55 1.97 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.47 1.01 0.00 0.00 139 Q 8.50 4.73 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 140 L 7.87 5.48 0.00 1.87 1.64 0.93 0.89 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 0.00 141 K 8.30 5.90 0.00 1.79 1.81 0.00 1.37 0.00 0.00 2.59 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.31 7.81 142 V 8.65 4.07 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 0.81 0.00 0.00 0.98 0.00 0.00 143 S 8.97 4.61 0.00 3.97 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 0.00 144 V 8.06 4.33 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 0.70 0.00 0.00 0.95 0.00 0.00 145 V 8.31 3.02 2.09 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 0.72 0.00 0.00 0.94 0.00 0.00 146 A 7.73 4.25 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