NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8938 8.3049 120.2872 55.3881 33.7711 174.4360 2 R 4.4957 8.8614 120.3258 53.6554 34.5101 172.7807 3 I 4.5831 8.5606 123.8595 60.2923 40.4632 174.1741 4 G 4.5024 8.8994 114.1418 44.9272 0.0000 170.8049 5 H 5.4604 8.9406 122.0673 54.0441 32.9066 172.6376 6 G 4.3358 9.1937 112.0341 44.4889 0.0000 171.3068 7 F 5.5107 8.5843 123.2852 56.6617 42.9023 172.9632 8 D 4.4958 7.6210 123.0218 53.0095 45.0138 173.9706 9 V 4.7502 7.8596 122.7841 61.4934 34.9672 174.1284 10 H 4.9597 8.6922 122.6989 53.8325 32.9220 172.7420 11 A 4.5809 8.4506 123.6638 51.5036 19.8409 177.0541 12 F 5.0170 8.9797 120.0317 57.3051 39.5834 175.4957 13 G 4.1235 9.2909 110.9852 47.5589 0.0000 174.7247 14 G 4.4194 7.9327 110.2144 45.3551 0.0000 172.3689 15 E 4.6951 8.3166 118.2868 54.5058 32.4501 176.0794 16 G 3.9977 8.7074 109.0706 45.0905 0.0000 171.0375 17 P 4.9902 0.0000 0.0000 61.9238 33.1549 175.3621 18 I 4.4427 8.3032 113.3868 59.7451 40.0658 174.4806 19 I 4.8740 8.1972 123.4357 59.4531 40.4821 174.3036 20 I 4.6869 8.5975 130.6719 60.3924 39.9908 175.9985 21 G 3.6531 9.8551 114.5895 46.7643 0.0000 174.8128 22 G 3.8816 9.1460 105.9307 45.2073 0.0000 174.0080 23 V 4.5184 7.5097 120.6273 60.8400 33.7863 174.9057 24 R 4.6513 8.7935 127.4963 56.2348 30.7676 175.7905 25 I 4.3403 8.9157 126.3072 58.5595 39.4000 173.8266 26 P 4.6749 0.0000 0.0000 63.2383 31.4942 175.0472 27 Y 4.9800 8.3908 123.5762 56.3014 41.7475 175.0965 28 E 3.7263 7.6427 121.7127 58.3110 29.7309 176.8479 29 K 4.8503 6.4119 115.8109 53.2754 36.6651 175.3643 30 G 4.6952 8.0163 106.4438 44.2934 0.0000 171.6608 31 L 5.3586 8.3979 119.3675 53.3144 44.7063 177.0123 32 L 4.2540 8.6440 123.9253 57.5920 42.1161 177.7974 33 A 4.0917 8.0939 119.7684 52.5468 18.8574 176.1382 34 H 4.6869 8.5576 117.3290 56.8496 29.9996 174.5040 35 S 4.9805 7.5724 115.5509 56.5055 65.4161 173.0706 36 D 4.3832 8.6270 118.7026 54.4129 39.4454 176.6156 37 G 3.5308 8.0992 108.0865 46.9001 0.0000 175.1501 38 D 4.7225 7.4431 122.3253 52.6988 39.3150 176.4097 39 V 4.0889 8.2603 120.2244 63.2264 31.8223 177.5761 40 A 3.9166 7.7956 119.8650 55.3384 18.3472 179.6181 41 L 3.9765 7.9199 116.9712 58.0305 41.5740 179.5052 42 H 4.2881 8.4637 116.4768 58.8406 28.5993 177.7282 43 A 3.9618 8.1918 122.7454 54.8878 18.0815 179.4745 44 L 3.8532 8.0389 118.8797 58.5616 42.1847 179.2070 45 T 3.9083 8.3165 116.0795 66.9634 68.3831 176.2802 46 D 4.3993 8.4956 120.7186 57.1582 40.8145 178.6787 47 A 4.0968 8.2168 121.4054 55.1828 18.4193 179.7567 48 L 3.9639 8.1605 117.5587 58.0779 41.8128 179.7224 49 L 4.1126 8.4707 119.4917 57.7613 41.5063 179.8832 50 G 3.6317 8.5581 105.8934 47.7939 0.0000 175.6791 51 A 4.6389 8.2164 123.3098 53.9704 18.4842 178.7816 52 A 3.4158 7.6259 116.6064 51.3467 19.1092 176.9857 53 A 3.6680 7.3925 118.5546 53.4071 16.5990 177.8665 54 L 4.6170 8.5414 117.0798 55.9600 43.2356 177.8002 55 G 3.9892 9.3437 113.0609 45.3246 0.0000 176.6331 56 D 4.7175 8.2718 126.2713 51.7504 42.1384 174.9832 57 I 4.4441 9.3004 121.0829 58.5177 35.7274 174.6064 58 G 4.5578 7.6408 123.1870 46.2371 0.0000 172.9509 59 K 3.9913 8.6315 121.3146 58.7796 32.4888 177.8503 60 L 3.7696 7.6164 119.8014 56.9210 41.9450 176.5919 61 F 4.8574 7.1916 117.3948 54.3331 39.4079 172.2403 62 P 4.6414 0.0000 0.0000 61.5465 32.0085 177.5535 63 D 4.4140 8.7402 121.8500 57.3500 41.5691 177.6460 64 T 3.9561 7.9575 108.6995 64.3065 68.9782 174.1503 65 D 4.4783 7.6613 122.9217 53.1694 41.2314 173.7625 66 P 4.6010 0.0000 0.0000 63.0838 31.9301 177.7949 67 A 3.8876 8.2061 123.0418 55.1160 17.9771 179.1066 68 F 4.7471 7.9869 113.4110 56.9669 39.6833 175.2398 69 K 4.2266 7.5439 123.1434 57.5596 32.2539 177.2526 70 G 3.8851 8.9121 113.9459 45.1559 0.0000 173.3085 71 A 4.2182 7.2995 122.4824 51.9752 19.1477 178.0615 72 D 4.6747 8.5661 122.4153 52.6745 42.1566 178.1428 73 S 4.1546 8.9375 115.8744 61.5069 62.6083 177.3295 74 R 4.0158 7.9036 120.6841 59.0577 29.8656 178.6683 75 E 3.9847 8.9957 118.9858 59.2966 29.3975 179.3469 76 L 3.3913 7.6859 118.9211 57.2517 41.4794 179.2379 77 L 3.9957 8.3106 120.7345 58.3836 42.0506 179.3328 78 R 4.0770 8.1975 118.0598 59.2214 29.9643 178.7509 79 E 4.0426 8.4688 118.9995 59.1677 29.7137 178.6435 80 A 4.0598 8.4943 121.0668 55.1006 18.4453 179.4439 81 W 4.4297 8.7557 127.2243 60.4950 30.7453 178.1731 82 R 3.7503 8.2667 118.8831 59.5999 29.3647 178.8538 83 R 3.9610 7.7819 116.4528 59.0579 30.1894 178.9068 84 I 3.9214 7.7931 119.8446 64.5284 37.1158 178.5312 85 Q 4.1986 7.9757 119.9759 58.0528 28.1613 178.5454 86 A 3.9498 7.6333 121.1408 54.5311 18.4544 178.9148 87 K 4.1309 7.4715 114.6559 56.8894 32.3882 177.8730 88 G 3.7393 7.8004 108.0043 45.0811 0.0000 172.8687 89 Y 4.9547 7.4014 117.3706 57.1890 39.8180 174.7321 90 T 5.1198 8.9652 113.1036 59.6477 72.7738 172.2770 91 L 4.2884 8.8433 123.8904 55.0916 42.3325 175.2248 92 G 3.9312 9.2036 116.2698 47.0569 0.0000 173.2126 93 N 5.2229 7.9236 113.4492 51.3396 41.5837 174.0503 94 V 4.9987 8.7718 112.5140 59.7063 36.0970 174.4248 95 D 5.2032 9.0035 122.0264 52.6988 44.8627 174.1278 96 V 4.7197 8.9321 125.5581 61.4116 34.8289 174.2238 97 T 4.9629 9.4552 125.3434 61.7013 70.7761 172.9083 98 I 4.1458 8.9843 129.0718 60.9822 38.5692 175.4903 99 I 4.8324 8.8835 129.3393 60.1790 37.9688 174.6145 100 A 4.7075 8.8756 128.7585 50.8509 22.4048 176.9647 101 Q 3.8716 9.0113 123.4348 58.6568 29.5705 175.8759 102 A 4.6201 7.4424 117.1939 49.9444 22.0816 173.5746 103 P 4.5622 0.0000 0.0000 61.1890 32.7721 175.8149 104 K 4.0275 8.4440 119.7635 57.0888 32.3969 176.1219 105 M 4.3158 8.6345 125.5024 56.8650 33.2135 177.9085 106 L 3.8694 8.2425 120.9724 57.7562 41.9582 176.7470 107 P 4.5334 0.0000 0.0000 63.9584 31.6679 176.4830 108 H 4.8097 8.3194 116.3474 55.8931 30.0992 176.0437 109 I 3.6642 7.4030 122.6591 64.1330 37.0010 176.1700 110 P 4.1692 0.0000 0.0000 65.8615 31.0194 178.6706 111 Q 3.6417 7.8674 116.1476 58.9352 28.6295 178.3637 112 M 4.5239 7.7325 120.7253 57.9566 32.0456 178.7686 113 R 3.8696 8.0401 118.2112 59.3625 30.2063 179.1187 114 V 3.4773 7.5209 117.5500 66.0929 31.4340 177.9037 115 F 4.5554 7.9384 117.4619 60.9143 38.7929 177.8118 116 I 3.6683 8.3211 119.4849 64.3334 36.8273 178.3870 117 A 3.9448 8.4713 122.0412 55.1151 18.0334 179.6325 118 E 3.9373 8.5164 117.3499 59.7059 29.3866 179.2848 119 D 4.3951 8.2644 118.0954 56.6670 40.9739 177.8390 120 L 3.5775 7.7666 116.7586 53.0699 42.1243 176.6252 121 G 3.9896 7.5980 107.3324 46.7617 0.0000 172.9674 122 C 4.7840 7.7925 113.6686 55.5897 32.6823 172.9435 123 H 4.5340 8.1278 115.8988 55.6255 29.1332 176.6555 124 M 4.0414 8.5782 121.3961 58.6695 32.2903 177.8025 125 D 4.4245 8.0297 116.4314 56.2764 41.6210 175.9589 126 D 4.6253 7.8970 117.3951 54.8839 41.2971 175.4600 127 V 4.5747 7.7287 120.0704 60.8780 33.7661 174.1004 128 N 5.0591 8.9733 126.4632 51.6968 41.8054 173.0288 129 V 4.9559 8.4383 125.1495 60.9742 34.5447 174.3325 130 K 4.8770 9.4972 125.6346 55.1778 36.5783 174.6931 131 A 5.2483 8.4573 121.0931 50.6033 22.1701 175.3208 132 T 4.7536 9.0534 114.7317 60.6817 71.4166 173.3984 133 T 4.9344 8.7470 117.1613 59.8134 71.2802 174.0701 134 T 4.4582 8.3072 109.2853 61.7323 69.5241 174.2092 135 E 3.8254 8.5024 117.6017 58.6372 27.5769 175.6793 136 K 4.2024 8.6259 111.8298 56.6706 31.0079 176.1422 137 L 4.5533 7.7483 119.1278 53.8971 44.0184 177.6506 138 G 4.2518 8.4765 110.3518 44.8138 0.0000 174.4471 139 F 4.3657 8.3103 113.2745 59.9861 37.7281 177.6134 140 T 4.2586 6.3788 111.4984 64.2043 68.6238 176.8387 141 G 3.6440 7.9081 108.3844 47.0265 0.0000 175.0202 142 R 4.4325 7.9223 117.6903 55.6680 30.6317 176.3831 143 G 4.0814 7.9656 106.3485 46.9824 0.0000 174.8672 144 E 4.5250 8.9711 121.4321 57.8675 30.2305 176.5284 145 G 3.6198 7.4295 105.0172 44.8670 0.0000 171.0070 146 I 4.8828 7.8051 118.8122 59.4567 40.8278 175.5017 147 A 4.9571 8.7706 128.5006 51.0381 21.9317 175.3807 148 C 5.0113 8.4006 118.8983 58.3366 35.4488 172.5674 149 E 5.3396 9.4328 125.9300 54.8776 31.9358 174.8978 150 A 5.1608 9.0222 124.1814 50.4634 23.2015 175.3972 151 V 5.0112 8.9864 113.7786 59.5203 35.7646 174.7648 152 A 5.1620 9.1454 124.9823 50.0488 23.0980 174.5835 153 L 5.2185 8.7930 121.8437 53.2895 45.0449 175.4533 154 L 5.3862 8.9341 125.7081 53.1377 45.1989 175.4132 155 I 4.8967 8.7909 121.5661 59.4222 40.7626 176.1079 156 K 4.2868 8.5455 124.4599 56.6917 32.3891 175.8092 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 8.30 4.89 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.63 0.00 2 R 8.86 4.50 0.00 1.61 1.79 0.00 3.30 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 3 I 8.56 4.58 1.87 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 1.28 1.27 0.91 0.00 0.00 4 G 8.90 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 0.00 0.00 0.00 0.00 5 H 8.94 5.46 0.00 3.14 3.15 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 9.19 4.34 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 7 F 8.58 5.51 0.00 2.99 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 7.62 4.50 0.00 2.69 2.35 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 9 V 7.86 4.75 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 0.74 0.00 0.00 0.98 0.00 0.00 10 H 8.69 4.96 0.00 3.00 3.01 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.45 4.58 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 12 F 8.98 5.02 0.00 3.15 2.97 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 13 G 9.29 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.93 4.42 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 0.00 15 E 8.32 4.70 0.00 1.90 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 0.00 2.32 2.23 0.00 16 G 8.71 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 17 P 0.00 4.99 0.00 2.15 2.11 0.00 3.78 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 1.98 1.98 0.00 18 I 8.30 4.44 1.93 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 1.24 0.85 1.20 0.00 0.00 19 I 8.20 4.87 1.86 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 1.47 1.54 0.92 0.00 0.00 20 I 8.60 4.69 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.81 0.88 0.00 0.00 21 G 9.86 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 22 G 9.15 3.88 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 0.00 0.00 0.00 23 V 7.51 4.52 2.28 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 1.14 0.00 0.00 1.21 0.00 0.00 24 R 8.79 4.65 0.00 1.77 1.90 0.00 3.24 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 25 I 8.92 4.34 1.79 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 0.72 1.10 0.76 0.00 0.00 26 P 0.00 4.67 0.00 1.98 2.03 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 27 Y 8.39 4.98 0.00 2.96 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 28 E 7.64 3.73 0.00 1.76 1.67 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 1.47 1.49 0.00 29 K 6.41 4.85 0.00 1.31 1.69 0.00 1.39 0.00 0.00 2.20 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.24 1.10 7.81 30 G 8.02 4.70 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 31 L 8.40 5.36 0.00 1.51 1.51 0.96 0.78 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 32 L 8.64 4.25 0.00 1.66 1.74 0.95 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.09 4.09 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 34 H 8.56 4.69 0.00 3.08 3.32 0.00 5.88 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.57 4.98 0.00 3.98 3.83 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 D 8.63 4.38 0.00 2.74 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 37 G 8.10 3.53 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 38 D 7.44 4.72 0.00 2.69 2.36 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 39 V 8.26 4.09 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 1.18 0.00 0.00 0.85 0.00 0.00 40 A 7.80 3.92 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 41 L 7.92 3.98 0.00 1.64 1.69 0.90 0.94 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 42 H 8.46 4.29 0.00 3.28 3.32 0.00 5.64 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 43 A 8.19 3.96 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 44 L 8.04 3.85 0.00 1.84 1.86 0.87 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.32 3.91 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 46 D 8.50 4.40 0.00 2.90 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 47 A 8.22 4.10 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 48 L 8.16 3.96 0.00 1.93 1.89 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.47 4.11 0.00 1.69 1.70 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.56 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.22 4.64 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 52 A 7.63 3.42 1.21 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 0.00 0.00 0.00 53 A 7.39 3.67 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 54 L 8.54 4.62 0.00 1.56 1.63 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 55 G 9.34 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 56 D 8.27 4.72 0.00 3.01 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 57 I 9.30 4.44 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.21 0.95 0.00 0.00 58 G 7.64 4.56 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 59 K 8.63 3.99 0.00 1.67 1.77 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.34 7.81 60 L 7.62 3.77 0.00 1.39 0.32 0.76 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 61 F 7.19 4.86 0.00 2.97 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 62 P 0.00 4.64 0.00 2.23 2.00 0.00 4.00 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 2.15 2.04 0.00 63 D 8.74 4.41 0.00 2.65 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 64 T 7.96 3.96 4.27 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 1.23 0.00 0.00 65 D 7.66 4.48 0.00 2.69 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 66 P 0.00 4.60 0.00 2.34 2.27 0.00 3.52 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 67 A 8.21 3.89 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 68 F 7.99 4.75 0.00 3.13 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 69 K 7.54 4.23 0.00 1.71 1.87 0.00 1.86 0.00 0.00 1.81 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.49 7.81 70 G 8.91 3.89 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 0.00 0.00 0.00 71 A 7.30 4.22 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 0.00 0.00 0.00 0.00 0.00 72 D 8.57 4.67 0.00 3.10 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 73 S 8.94 4.15 0.00 3.88 3.90 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 74 R 7.90 4.02 0.00 1.90 1.95 0.00 2.73 0.00 0.00 3.00 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 75 E 9.00 3.98 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 76 L 7.69 3.39 0.00 1.65 1.17 0.66 -0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.31 4.00 0.00 1.81 1.87 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.20 4.08 0.00 2.09 2.06 0.00 3.24 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.86 0.00 79 E 8.47 4.04 0.00 2.29 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 0.00 2.43 2.62 0.00 80 A 8.49 4.06 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.76 4.43 0.00 3.49 3.32 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 82 R 8.27 3.75 0.00 2.19 2.03 0.00 3.18 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 83 R 7.78 3.96 0.00 1.97 1.95 0.00 3.11 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 1.67 1.99 0.00 84 I 7.79 3.92 1.86 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.86 0.00 0.00 85 Q 7.98 4.20 0.00 1.85 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.70 1.16 0.00 86 A 7.63 3.95 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 87 K 7.47 4.13 0.00 1.99 1.70 0.00 1.76 0.00 0.00 1.97 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.63 7.81 88 G 7.80 3.74 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 0.00 0.00 0.00 89 Y 7.40 4.95 0.00 2.93 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 90 T 8.97 5.12 4.40 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 1.26 0.00 0.00 91 L 8.84 4.29 0.00 1.71 1.66 0.56 0.83 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 92 G 9.20 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 93 N 7.92 5.22 0.00 2.85 2.88 0.00 0.00 5.73 7.68 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 94 V 8.77 5.00 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 0.63 0.00 0.00 0.92 0.00 0.00 95 D 9.00 5.20 0.00 2.73 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 0.00 0.00 0.00 0.00 96 V 8.93 4.72 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 0.76 0.00 0.00 0.90 0.00 0.00 97 T 9.46 4.96 4.27 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 1.22 0.00 0.00 98 I 8.98 4.15 1.85 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 1.19 0.57 0.87 0.00 0.00 99 I 8.88 4.83 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.83 0.86 0.00 0.00 100 A 8.88 4.71 1.21 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 0.00 0.00 0.00 101 Q 9.01 3.87 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 102 A 7.44 4.62 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 0.00 103 P 0.00 4.56 0.00 2.18 2.15 0.00 3.43 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.69 0.00 104 K 8.44 4.03 0.00 1.74 1.81 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.53 7.81 105 M 8.63 4.32 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.61 0.00 106 L 8.24 3.87 0.00 1.70 1.68 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.53 0.00 2.03 2.06 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.92 0.00 108 H 8.32 4.81 0.00 3.23 3.33 0.00 5.63 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 0.00 109 I 7.40 3.66 1.94 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 1.74 0.87 0.93 0.00 0.00 110 P 0.00 4.17 0.00 2.08 2.06 0.00 3.49 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 111 Q 7.87 3.64 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 112 M 7.73 4.52 0.00 2.11 2.23 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 2.89 2.78 0.00 113 R 8.04 3.87 0.00 1.99 1.95 0.00 3.10 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 114 V 7.52 3.48 1.86 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 0.98 0.00 0.00 0.84 0.00 0.00 115 F 7.94 4.56 0.00 3.22 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.32 3.67 2.01 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 1.44 0.87 0.82 0.00 0.00 117 A 8.47 3.94 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 0.00 118 E 8.52 3.94 0.00 2.20 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 2.69 2.60 0.00 119 D 8.26 4.40 0.00 2.79 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.77 3.58 0.00 1.27 0.74 0.52 -0.04 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 0.00 121 G 7.60 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 0.00 122 C 7.79 4.78 0.00 2.98 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 0.00 123 H 8.13 4.53 0.00 3.22 3.23 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 M 8.58 4.04 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.50 0.00 125 D 8.03 4.42 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 0.00 126 D 7.90 4.63 0.00 2.94 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 0.00 127 V 7.73 4.57 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 0.70 0.00 0.00 0.86 0.00 0.00 128 N 8.97 5.06 0.00 2.85 2.77 0.00 0.00 6.15 7.54 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 0.00 129 V 8.44 4.96 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 0.88 0.00 0.00 0.91 0.00 0.00 130 K 9.50 4.88 0.00 1.74 1.83 0.00 1.30 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.36 7.81 131 A 8.46 5.25 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 0.00 132 T 9.05 4.75 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 0.00 133 T 8.75 4.93 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 134 T 8.31 4.46 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 1.13 0.00 0.00 135 E 8.50 3.83 0.00 2.07 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 2.26 2.25 0.00 136 K 8.63 4.20 0.00 1.90 1.93 0.00 1.64 0.00 0.00 1.57 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.36 7.81 137 L 7.75 4.55 0.00 1.77 1.53 0.91 0.75 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 0.00 138 G 8.48 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 0.00 0.00 0.00 0.00 139 F 8.31 4.37 0.00 3.25 3.36 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 0.00 140 T 6.38 4.26 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 0.90 0.00 0.00 141 G 7.91 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 0.00 142 R 7.92 4.43 0.00 1.92 2.06 0.00 3.29 0.00 0.00 3.27 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 143 G 7.97 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 0.00 144 E 8.97 4.53 0.00 2.33 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 2.42 2.53 0.00 145 G 7.43 3.62 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 0.00 0.00 0.00 146 I 7.81 4.88 1.68 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 1.11 0.79 0.88 0.00 0.00 147 A 8.77 4.96 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 0.00 148 C 8.40 5.01 0.00 2.86 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.43 5.34 0.00 1.96 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 2.56 2.53 0.00 150 A 9.02 5.16 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 0.00 151 V 8.99 5.01 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 0.77 0.00 0.00 0.94 0.00 0.00 152 A 9.15 5.16 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 0.00 153 L 8.79 5.22 0.00 1.76 1.50 0.94 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.93 5.39 0.00 1.50 1.56 0.73 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 155 I 8.79 4.90 1.97 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 1.18 0.94 0.97 0.00 0.00 156 K 8.55 4.29 0.00 1.79 1.65 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.17 1.00 7.81