NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0816 8.0549 120.3903 62.5128 32.7032 175.0107 2 L 4.0644 8.2161 127.0205 52.3383 42.4024 175.9618 3 S 4.5295 9.7351 119.4550 57.7112 66.2193 175.0778 4 E 4.2675 8.8380 121.6060 59.6435 29.2551 179.7564 5 G 3.6948 8.1589 105.1841 47.9874 0.0000 175.4216 6 E 3.9260 8.2249 120.9109 58.9013 29.3801 179.4528 7 W 4.3582 8.2745 119.2151 59.8484 29.0618 178.3205 8 Q 4.0920 8.6104 119.7790 59.1580 28.5624 178.3563 9 L 4.0456 7.9600 119.8458 57.7311 41.6494 179.5780 10 V 3.7657 8.0085 118.1111 66.2986 31.5029 178.0891 11 L 4.2977 8.5642 118.6288 57.4503 41.5807 178.9660 12 H 4.1894 8.5903 119.1178 59.2730 29.8682 177.7171 13 V 3.7082 7.9447 120.5166 64.3243 31.3482 178.1588 14 W 3.8934 8.6454 129.1108 60.1981 30.3184 177.7973 15 A 4.0524 8.1904 120.0698 54.8488 17.9242 179.5605 16 K 3.8984 7.4637 116.5670 59.4982 32.0715 179.3587 17 V 2.8238 7.0664 118.4682 66.0039 30.9090 177.4298 18 E 3.9472 7.3733 115.1335 57.6388 29.3823 178.2953 19 A 4.1746 7.7605 120.9572 53.7240 19.6950 177.6409 20 D 4.6535 7.8681 116.3792 52.1295 42.8529 175.5763 21 V 3.4458 7.8267 123.5943 66.0332 32.0103 176.8343 22 A 4.0709 7.9412 120.0685 55.0484 18.3333 179.7289 23 G 3.5417 8.3850 105.6788 47.5661 0.0000 175.7769 24 H 4.1639 8.3703 118.7134 58.5966 28.7000 178.1522 25 G 3.5463 8.4122 107.9596 47.5791 0.0000 175.5160 26 Q 3.8386 8.1975 121.9681 59.1614 29.0647 178.1685 27 D 4.2612 7.9792 119.7830 57.3541 40.7538 178.9804 28 I 3.6342 7.9762 120.5632 64.4182 37.1219 178.5835 29 L 3.4295 7.7659 119.7943 57.4996 41.2201 179.6555 30 I 3.6228 7.7120 120.0477 64.1393 36.9472 178.3199 31 R 3.7823 7.9934 119.6853 59.3086 29.9126 178.2489 32 L 3.9443 7.8500 120.0538 58.3795 41.8220 179.0552 33 F 4.5925 8.2216 118.0969 60.4855 38.5644 177.9859 34 K 4.0339 8.1989 117.7013 59.5870 32.0333 179.4160 35 S 4.2888 8.2434 114.4584 60.2064 64.0876 174.5572 36 H 4.6976 8.0356 118.3945 52.0781 29.2592 171.9090 37 P 4.5147 0.0000 0.0000 64.3667 31.2260 177.4686 38 E 4.0887 8.2212 116.3427 59.2381 29.5049 179.1497 39 T 4.1640 8.2275 111.6942 64.6444 68.9912 176.4370 40 L 3.5276 7.8307 123.1174 57.7529 41.8495 178.5629 41 E 4.0425 7.6189 117.9678 58.7697 29.6035 178.4739 42 K 4.4223 7.9889 116.9770 57.3406 32.7077 177.4029 43 F 4.5804 8.1569 119.0664 55.4859 39.1087 175.5472 44 D 4.4252 8.6502 124.4946 57.2814 40.9634 178.8510 45 R 3.8033 7.8612 117.8851 58.2153 30.2784 176.6101 46 F 5.0793 7.9402 114.0187 56.7336 40.5413 176.5245 47 K 4.1716 8.0793 119.3523 58.4778 32.6906 177.5720 48 H 4.4027 8.0745 114.6903 57.3482 28.9983 175.4994 49 L 4.1599 7.5730 121.6652 54.5237 41.7882 176.7752 50 K 4.5269 9.3669 122.1823 55.8252 34.6048 176.5743 51 T 4.7341 7.5588 108.3679 58.9111 73.0194 174.2524 52 E 3.8978 8.6245 121.5689 59.4554 29.6882 178.7470 53 A 3.9939 7.9828 120.2772 55.2720 18.2224 179.3117 54 E 3.9255 8.1867 116.1812 59.7438 29.9325 179.0783 55 M 4.1805 8.1236 118.6921 58.5260 31.8583 179.0879 56 K 4.1342 8.2870 117.2108 58.7889 32.2702 178.4348 57 A 4.4725 7.6342 119.0214 51.6932 19.2522 177.0238 58 S 4.3537 7.5370 113.6383 57.1631 62.5734 174.4162 59 E 4.0134 8.8361 129.5138 59.3005 29.4330 177.9846 60 D 4.4204 8.1902 117.9015 57.0397 41.2748 177.8158 61 L 3.3973 8.0386 121.0523 57.7797 42.1390 178.7551 62 K 3.8201 7.8628 119.1527 59.2939 32.1502 178.4919 63 K 3.9090 8.3686 120.0920 60.0401 32.1014 178.3278 64 H 4.4579 8.6937 118.5567 59.0050 29.7429 177.3048 65 G 3.5915 8.4150 108.1855 47.7682 0.0000 175.7948 66 V 3.6068 7.7504 120.4347 65.9708 31.5534 178.0091 67 T 3.8984 7.8144 115.3606 66.7717 68.2891 176.6261 68 V 3.5785 7.9543 119.9461 66.2281 31.6229 178.1914 69 L 4.2515 8.1771 118.6277 57.8552 41.4204 179.5723 70 T 3.9831 8.5016 116.3036 66.5242 68.3980 176.4740 71 A 3.9795 8.0671 122.6754 55.1055 18.3856 179.4432 72 L 3.7567 8.1867 119.1602 58.0833 42.1166 179.3200 73 G 3.2322 8.5102 105.8943 47.7213 0.0000 175.5321 74 A 4.0320 7.7710 122.1093 54.6695 18.5992 179.6722 75 I 3.7979 7.4969 118.4199 64.6559 37.2146 178.6495 76 L 3.9974 7.7813 119.9522 57.6295 41.1807 179.4809 77 K 3.9993 7.7401 116.7013 58.1863 32.3167 178.7238 78 K 3.9577 7.8691 118.5865 56.1151 32.4855 176.6338 79 K 2.0000 8.3638 118.2185 56.3679 29.8161 175.4416 80 G 3.9640 7.8919 106.2052 45.8694 0.0000 173.9846 81 H 4.5575 7.3043 118.7044 55.5135 27.6811 175.0373 82 H 5.1489 7.2817 110.3571 54.4738 29.7848 176.2631 83 E 3.9191 8.5631 122.9000 60.3152 29.0128 178.5836 84 A 4.1079 7.9132 118.7935 54.8925 19.1737 178.9793 85 E 4.1106 8.1247 117.0198 59.4330 29.5939 179.1133 86 L 4.1141 8.3011 119.1673 56.9315 41.6917 178.9770 87 K 3.8552 7.9705 120.1005 59.3006 32.0704 177.0199 88 P 4.3055 0.0000 0.0000 65.4881 31.1469 178.1649 89 L 3.9705 7.4565 119.4899 57.9503 42.0251 178.5902 90 A 4.1745 8.3127 121.0900 55.4385 18.3708 179.5603 91 Q 3.9090 8.2136 116.6506 59.2110 28.7760 179.4140 92 S 4.0501 8.2942 115.3131 61.7967 63.1155 176.2139 93 H 4.2404 8.7899 119.8896 58.0564 28.2139 177.7797 94 A 2.7927 7.9092 122.5151 54.5773 18.2773 178.9479 95 T 3.9366 7.3759 105.8138 62.1040 69.8518 175.5245 96 K 4.1147 7.4626 120.5758 58.2088 33.2045 176.8392 97 H 4.3144 7.9834 114.0162 55.8741 29.5474 175.1898 98 K 3.2253 7.5258 116.8759 57.1857 28.3889 176.7676 99 I 4.1947 7.9512 119.2872 58.7501 38.1779 174.9720 100 P 4.3620 0.0000 0.0000 62.4265 31.9769 177.9216 101 I 3.5511 8.0868 121.7707 64.3836 36.8378 178.5505 102 K 3.6775 7.9449 120.0588 59.7264 31.9240 178.1894 103 Y 3.9982 8.1093 116.7642 60.6103 37.7946 178.0672 104 L 4.2330 7.8302 119.8563 57.4704 41.7460 178.7799 105 E 3.9920 8.1839 119.6149 59.2235 29.5580 178.8254 106 F 4.4942 7.9454 117.9652 60.8186 38.9256 177.5297 107 I 3.9101 8.1191 118.1690 63.8780 37.7748 178.0621 108 S 4.1988 8.3184 116.3830 61.6919 62.6509 176.4564 109 E 4.0755 8.5919 121.0891 59.3870 29.1297 179.3271 110 A 4.0309 8.1477 120.8986 54.9984 18.3290 179.6795 111 I 3.6632 8.2143 118.7919 64.7716 37.2565 178.6947 112 I 3.8233 7.9200 120.5103 64.5630 36.9093 177.9542 113 H 4.1218 8.4795 119.1496 59.4587 29.7325 177.5937 114 V 3.5841 8.0600 120.0972 65.8062 31.3115 178.0130 115 L 3.7879 8.0392 119.1902 57.7634 41.0734 178.8784 116 H 4.3484 7.9959 117.4258 59.2848 29.8921 176.9769 117 S 4.1887 7.7652 113.9967 61.2740 62.3759 175.7735 118 R 4.1661 7.7686 118.2622 56.9964 31.2011 176.1681 119 H 5.0413 8.1818 116.5597 54.0464 29.9999 173.2914 120 P 4.2899 0.0000 0.0000 65.8740 31.5707 178.9711 121 G 3.7490 8.1245 106.1760 47.3503 0.0000 173.5132 122 D 5.0753 8.1399 118.2538 53.9550 41.7121 176.0848 123 F 4.9115 8.1567 121.0579 56.2845 39.6634 174.7728 124 G 3.8354 8.0394 106.8006 44.1857 0.0000 173.1953 125 A 4.1250 8.4122 121.1480 54.8844 18.2180 179.4187 126 D 4.1897 8.0059 117.1294 56.8016 39.3427 178.7426 127 A 3.9270 7.7251 121.9168 54.4215 18.3597 179.3526 128 Q 3.1438 7.8114 117.1778 58.8286 28.7521 179.3399 129 G 3.5524 8.1379 106.6220 47.7219 0.0000 175.5804 130 A 3.8417 7.9202 123.2062 55.0374 18.3400 179.3670 131 M 3.9946 8.3613 117.1963 58.7214 32.2981 177.8268 132 N 4.3029 8.5655 117.6143 56.7795 39.1225 176.9570 133 K 3.9259 8.1561 119.5804 59.3810 32.0880 179.2428 134 A 3.8519 8.0869 121.2161 55.1204 18.2400 179.7227 135 L 4.1110 8.3306 117.7614 57.6371 41.6570 179.4833 136 E 3.9804 8.6850 119.3363 59.2110 29.3899 179.0390 137 L 3.9544 8.1140 120.3605 58.0622 42.1451 178.4424 138 F 4.0876 8.2905 120.6060 61.7173 39.2542 177.3912 139 R 3.5721 8.3051 117.4025 58.8683 29.9176 178.8245 140 K 3.7837 8.3664 119.8329 59.8829 32.0575 178.5782 141 D 4.3648 8.0517 118.9054 57.2078 40.6587 178.8806 142 I 3.5236 7.6535 120.3493 64.1404 36.9795 178.2196 143 A 3.6850 8.1817 121.8255 55.0368 18.1007 179.5719 144 A 3.9496 7.8962 119.1464 55.2312 18.4244 180.0803 145 K 4.0219 7.8168 117.2531 59.6677 32.0325 179.1347 146 Y 4.2126 8.5353 117.5236 61.0364 37.7808 178.7458 147 K 3.9503 8.3595 120.5107 59.4028 32.1176 178.1721 148 E 3.9377 7.9144 118.4582 59.4736 29.6300 178.2579 149 L 4.3645 7.7345 115.1658 54.4571 41.8724 177.2385 150 G 3.8505 7.9028 107.1173 46.4904 0.0000 172.7577 151 Y 4.8551 8.0489 119.8637 55.4443 40.6149 174.9176 152 Q 4.2943 7.4721 123.6529 53.6880 32.9071 175.4709 153 G 3.5911 8.1321 108.0582 45.8967 0.0000 173.6473 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 V 8.05 4.08 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 1.05 0.00 0.00 0.95 0.00 0.00 2 L 8.22 4.06 0.00 0.72 0.58 0.52 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.74 4.53 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 E 8.84 4.27 0.00 2.07 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 0.00 2.50 2.39 0.00 5 G 8.16 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 0.00 0.00 0.00 6 E 8.22 3.93 0.00 2.01 1.71 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 2.21 2.26 0.00 7 W 8.27 4.36 0.00 3.56 3.18 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 8 Q 8.61 4.09 0.00 2.20 2.31 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 2.40 2.48 0.00 9 L 7.96 4.05 0.00 1.95 1.73 0.94 0.73 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 V 8.01 3.77 2.48 0.00 0.00 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 0.00 0.00 0.91 0.00 0.00 11 L 8.56 4.30 0.00 1.92 1.82 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.59 4.19 0.00 3.42 3.55 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.94 3.71 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 1.03 0.00 0.00 0.85 0.00 0.00 14 W 8.65 3.89 0.00 3.63 3.21 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 15 A 8.19 4.05 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 16 K 7.46 3.90 0.00 1.60 1.54 0.00 1.65 0.00 0.00 1.47 0.00 0.00 2.71 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.48 1.41 7.81 17 V 7.07 2.82 0.68 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 -0.16 0.00 0.00 0.26 0.00 0.00 18 E 7.37 3.95 0.00 2.02 1.91 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 2.23 2.04 0.00 19 A 7.76 4.17 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 20 D 7.87 4.65 0.00 2.69 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 21 V 7.83 3.45 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.84 0.00 0.00 22 A 7.94 4.07 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 23 G 8.38 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.37 4.16 0.00 3.24 3.24 0.00 5.82 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 8.41 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 26 Q 8.20 3.84 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 27 D 7.98 4.26 0.00 2.79 2.63 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 28 I 7.98 3.63 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 1.51 0.62 0.88 0.00 0.00 29 L 7.77 3.43 0.00 1.27 0.73 0.73 0.53 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 30 I 7.71 3.62 1.83 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 1.36 0.67 0.88 0.00 0.00 31 R 7.99 3.78 0.00 1.92 2.06 0.00 3.02 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 32 L 7.85 3.94 0.00 1.79 1.51 1.08 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.22 4.59 0.00 2.97 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 K 8.20 4.03 0.00 1.76 1.83 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.57 7.81 35 S 8.24 4.29 0.00 3.73 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 36 H 8.04 4.70 0.00 3.08 2.85 0.00 5.63 0.00 0.00 0.00 0.00 6.86 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 4.51 0.00 2.15 2.10 0.00 3.82 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 2.08 1.99 0.00 38 E 8.22 4.09 0.00 2.29 2.27 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 1.98 2.25 0.00 39 T 8.23 4.16 4.61 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 0.00 0.00 1.11 0.00 0.00 40 L 7.83 3.53 0.00 1.42 1.77 -0.01 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.62 4.04 0.00 1.99 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 0.00 2.37 2.45 0.00 42 K 7.99 4.42 0.00 2.03 1.75 0.00 1.92 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.91 1.96 7.81 43 F 8.16 4.58 0.00 3.27 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 44 D 8.65 4.43 0.00 2.62 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 45 R 7.86 3.80 0.00 1.31 0.66 0.00 3.04 0.00 0.00 2.90 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.43 0.00 46 F 7.94 5.08 0.00 2.87 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 47 K 8.08 4.17 0.00 1.87 2.21 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.45 7.81 48 H 8.07 4.40 0.00 3.32 3.48 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 7.57 4.16 0.00 1.62 1.59 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.37 4.53 0.00 1.66 1.80 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 51 T 7.56 4.73 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 52 E 8.62 3.90 0.00 2.05 1.97 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 2.36 2.36 0.00 53 A 7.98 3.99 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 54 E 8.19 3.93 0.00 2.11 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 2.36 2.35 0.00 55 M 8.12 4.18 0.00 2.07 2.26 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 2.82 2.61 0.00 56 K 8.29 4.13 0.00 1.81 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.51 7.81 57 A 7.63 4.47 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 7.54 4.35 0.00 3.96 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 59 E 8.84 4.01 0.00 2.14 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 2.40 2.46 0.00 60 D 8.19 4.42 0.00 2.96 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.04 3.40 0.00 1.51 1.61 -0.32 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.86 3.82 0.00 1.87 1.97 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.42 7.81 63 K 8.37 3.91 0.00 1.91 2.11 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.52 7.81 64 H 8.69 4.46 0.00 3.67 3.49 0.00 5.85 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 8.41 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.75 3.61 2.29 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 1.10 0.00 0.00 1.00 0.00 0.00 67 T 7.81 3.90 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 1.29 0.00 0.00 68 V 7.95 3.58 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 1.17 0.00 0.00 0.94 0.00 0.00 69 L 8.18 4.25 0.00 1.81 1.92 0.90 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 70 T 8.50 3.98 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 1.26 0.00 0.00 71 A 8.07 3.98 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 72 L 8.19 3.76 0.00 1.59 1.71 0.28 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.51 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.77 4.03 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.50 3.80 1.91 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 1.56 0.62 0.95 0.00 0.00 76 L 7.78 4.00 0.00 1.24 1.61 -0.04 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.74 4.00 0.00 1.66 1.80 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.53 7.81 78 K 7.87 3.96 0.00 1.81 1.82 0.00 1.76 0.00 0.00 1.61 0.00 0.00 3.15 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.65 1.74 7.81 79 K 8.36 2.00 0.00 1.24 0.74 0.00 1.47 0.00 0.00 1.42 0.00 0.00 2.65 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.36 0.75 7.81 80 G 7.89 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 0.00 0.00 0.00 81 H 7.30 4.56 0.00 3.15 3.23 0.00 5.81 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 82 H 7.28 5.15 0.00 3.29 3.46 0.00 5.66 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.56 3.92 0.00 2.12 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 2.40 2.48 0.00 84 A 7.91 4.11 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 85 E 8.12 4.11 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 86 L 8.30 4.11 0.00 1.68 1.66 0.73 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.97 3.86 0.00 2.04 1.83 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.48 7.81 88 P 0.00 4.31 0.00 2.34 2.32 0.00 3.92 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 2.11 2.04 0.00 89 L 7.46 3.97 0.00 1.87 1.91 0.86 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.31 4.17 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 91 Q 8.21 3.91 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 92 S 8.29 4.05 0.00 3.96 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 93 H 8.79 4.24 0.00 3.54 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 7.91 2.79 0.56 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 95 T 7.38 3.94 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 1.10 0.00 0.00 96 K 7.46 4.11 0.00 1.55 1.67 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.10 1.31 7.81 97 H 7.98 4.31 0.00 2.98 3.13 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 98 K 7.53 3.23 0.00 1.81 1.80 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.99 1.22 7.81 99 I 7.95 4.19 2.09 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 1.31 0.92 1.13 0.00 0.00 100 P 0.00 4.36 0.00 1.71 1.75 0.00 2.20 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 1.37 1.88 0.00 101 I 8.09 3.55 1.74 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.65 0.75 0.00 0.00 102 K 7.94 3.68 0.00 1.76 1.76 0.00 1.53 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 0.66 7.81 103 Y 8.11 4.00 0.00 3.20 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 0.00 104 L 7.83 4.23 0.00 1.83 1.85 0.68 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.18 3.99 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 2.37 2.38 0.00 106 F 7.95 4.49 0.00 3.21 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 0.00 107 I 8.12 3.91 2.03 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 1.58 1.60 1.09 0.00 0.00 108 S 8.32 4.20 0.00 4.19 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 E 8.59 4.08 0.00 2.28 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 2.43 2.67 0.00 110 A 8.15 4.03 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 0.00 111 I 8.21 3.66 2.11 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 1.60 0.83 1.04 0.00 0.00 112 I 7.92 3.82 2.14 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.14 1.16 0.00 0.00 113 H 8.48 4.12 0.00 3.33 3.48 0.00 5.58 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 0.00 114 V 8.06 3.58 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 0.88 0.00 0.00 0.97 0.00 0.00 115 L 8.04 3.79 0.00 1.34 0.23 0.84 1.10 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 0.00 116 H 8.00 4.35 0.00 3.50 3.62 0.00 5.95 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 0.00 117 S 7.77 4.19 0.00 3.83 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 0.00 118 R 7.77 4.17 0.00 1.56 1.58 0.00 3.12 0.00 0.00 2.84 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.57 0.00 119 H 8.18 5.04 0.00 3.19 3.19 0.00 5.63 0.00 0.00 0.00 0.00 6.74 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 4.29 0.00 2.19 2.24 0.00 3.67 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 121 G 8.12 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 0.00 0.00 0.00 122 D 8.14 5.08 0.00 2.75 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.16 4.91 0.00 2.99 2.98 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 0.00 124 G 8.04 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.41 4.12 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 0.00 126 D 8.01 4.19 0.00 2.82 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 0.00 127 A 7.73 3.93 1.22 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 0.00 0.00 0.00 128 Q 7.81 3.14 0.00 1.97 1.96 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 1.91 1.87 0.00 129 G 8.14 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 0.00 130 A 7.92 3.84 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 0.00 131 M 8.36 3.99 0.00 2.42 2.45 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.90 0.00 132 N 8.57 4.30 0.00 2.86 2.91 0.00 0.00 7.22 6.30 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 0.00 133 K 8.16 3.93 0.00 1.86 1.66 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.55 7.81 134 A 8.09 3.85 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 0.00 135 L 8.33 4.11 0.00 1.74 1.79 0.99 1.02 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 0.00 136 E 8.68 3.98 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 2.34 2.44 0.00 137 L 8.11 3.95 0.00 1.88 1.97 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.29 4.09 0.00 3.13 3.15 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 0.00 139 R 8.31 3.57 0.00 2.02 1.88 0.00 3.17 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.99 0.00 140 K 8.37 3.78 0.00 1.81 2.04 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 141 D 8.05 4.36 0.00 2.71 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 0.00 142 I 7.65 3.52 1.31 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 -0.12 0.37 0.00 0.00 143 A 8.18 3.68 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 0.00 144 A 7.90 3.95 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 0.00 145 K 7.82 4.02 0.00 2.01 1.94 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.65 7.81 146 Y 8.54 4.21 0.00 3.11 3.21 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 0.00 147 K 8.36 3.95 0.00 1.85 1.99 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.45 7.81 148 E 7.91 3.94 0.00 2.04 2.21 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 2.34 2.38 0.00 149 L 7.73 4.36 0.00 1.66 1.64 0.89 0.98 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 0.00 150 G 7.90 3.85 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 0.00 0.00 0.00 151 Y 8.05 4.86 0.00 2.60 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 7.47 4.29 0.00 1.84 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 153 G 8.13 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00