NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3334 8.2893 120.3561 55.8849 33.3100 176.6275 2 T 4.3417 7.7544 109.5834 59.5340 69.5886 172.9491 3 K 4.3423 8.5249 126.3825 55.4943 34.2911 178.0092 4 V 4.1055 8.0299 121.5152 62.5102 32.3248 175.0111 5 E 4.8546 9.0922 127.1755 54.2134 33.0904 175.2468 6 R 4.1034 8.6415 123.6421 56.2406 30.7913 175.7995 7 L 4.4467 8.5023 126.9157 54.4565 43.0814 175.9179 8 L 4.8520 8.4144 123.1747 53.7658 43.4065 176.2081 9 I 4.2506 9.0898 125.1027 60.9904 38.5476 174.7749 10 N 4.5805 8.3914 121.9335 51.1936 39.8351 174.9154 11 Y 4.0893 8.5744 117.3938 61.2322 37.8299 178.8983 12 K 3.8688 8.1905 119.7173 60.1950 32.2110 178.8144 13 T 3.6657 8.5324 116.1254 66.3682 68.0567 176.8863 14 L 4.0098 8.0101 120.6167 57.6812 41.7385 179.1011 15 E 4.1567 8.5092 119.0029 59.4104 29.3201 179.1229 16 E 3.9518 7.9344 118.5770 59.5791 29.5026 179.3781 17 F 4.8446 8.2068 117.8652 60.8050 38.7250 177.7002 18 K 3.7027 7.8896 116.9808 58.4699 31.8484 178.7761 19 K 4.0318 8.1153 118.0273 57.1015 32.4133 177.0852 20 F 4.5633 7.5718 118.0567 56.2323 40.2172 175.9469 21 K 4.1453 9.2258 125.4429 59.6156 32.9676 178.1913 22 E 4.4419 8.6232 119.8997 55.4951 27.8908 175.0332 23 Y 5.0331 7.4558 119.8203 56.0409 42.4595 175.1803 24 G 3.9386 8.7097 116.4679 44.5385 0.0000 175.7747 25 I 3.7730 8.3224 114.0483 63.6455 37.7383 177.8696 26 Q 3.9281 8.1062 121.0684 59.3805 28.7695 178.4281 27 E 3.8018 7.7967 118.6914 59.2620 29.4494 179.1625 28 L 4.0373 7.5258 118.7789 57.8315 41.7004 179.8015 29 S 4.1562 8.6074 114.6003 61.4961 62.9835 176.1883 30 M 3.9750 8.1653 122.4711 58.1814 31.7932 178.2505 31 L 3.8707 7.8305 120.1434 58.3508 42.1269 178.6426 32 E 3.9667 8.1642 118.9668 59.4160 29.6798 178.6509 33 E 3.9846 8.6895 119.0684 59.1221 29.2563 179.1109 34 L 3.8985 7.7861 119.7952 58.1727 42.3214 178.8858 35 Q 4.2540 8.0451 115.5881 58.6943 28.6843 177.2779 36 D 4.8798 7.7720 119.8393 54.8632 41.7720 175.7232 37 N 4.7923 8.0726 116.8300 51.4660 40.2830 174.2420 38 I 3.7440 8.4836 127.4564 64.4487 37.3618 178.5034 39 I 3.8145 7.8693 119.0335 63.1299 37.0053 175.8947 40 E 4.6605 7.9939 118.2660 55.6802 29.7633 175.3742 41 N 4.4362 8.4037 118.6710 55.1728 39.5249 174.2462 42 D 4.4268 8.8231 125.1403 55.6100 38.8918 173.8770 43 S 4.8505 7.7750 112.8456 57.2062 66.0917 172.9946 44 T 4.9265 8.2613 110.8041 61.0885 70.6206 173.6484 45 S 4.6856 7.6965 115.4683 56.8206 66.2251 171.8453 46 P 4.4122 0.0000 0.0000 63.8584 32.1347 176.2924 47 F 4.9341 7.8087 120.2451 56.8911 40.7485 174.4631 48 Y 5.0757 9.1999 119.9356 56.6517 42.0425 174.7654 49 G 4.4987 9.2893 108.1539 45.7316 0.0000 171.5158 50 I 5.0454 8.6664 119.8853 59.4857 40.9684 174.6392 51 Y 4.9362 8.6683 122.5735 56.0975 40.7041 174.7736 52 F 4.7753 8.7340 125.7595 57.2191 42.5800 175.2072 53 G 3.7603 8.0195 117.4584 46.9549 0.0000 173.6727 54 D 4.8534 9.0660 121.1228 52.2432 40.4287 175.2402 55 K 4.5052 8.1985 121.1103 55.3662 32.9411 176.0343 56 L 3.4171 8.9095 127.1090 54.8380 42.4040 176.6567 57 V 4.1366 8.0179 123.8144 61.4242 34.0007 175.1392 58 A 5.2224 7.3805 121.2870 51.0686 22.6213 175.3300 59 R 5.0003 8.5983 117.8809 55.0980 34.0648 173.4199 60 M 4.7430 8.4374 114.3008 54.8882 36.3200 173.0729 61 S 4.3819 8.6967 120.9137 56.0754 64.8222 172.6497 62 L 5.2214 8.1490 125.8962 53.2825 45.4636 175.4748 63 Y 4.8725 8.8058 123.0818 56.3670 42.8650 173.2601 64 Q 4.2159 8.0398 128.2720 55.6578 29.7688 174.9862 65 V 3.9070 8.1108 127.1214 61.0931 33.8399 174.9759 66 N 4.7668 8.5692 125.0512 52.8644 37.8392 175.7370 67 G 4.1473 9.8376 115.9543 46.5500 0.0000 174.1135 68 K 4.0697 8.3523 121.7520 58.6454 32.2820 177.5874 69 S 4.7954 7.8037 110.2622 57.9368 63.2312 174.4440 70 N 5.0346 7.5602 117.3801 51.1264 38.6450 172.5726 71 P 4.5594 0.0000 0.0000 62.4548 29.7059 175.8576 72 Y 4.0268 8.1547 123.2593 58.8177 40.2154 175.7160 73 F 4.9039 7.5787 116.7542 54.8100 42.2903 174.1246 74 D 4.3843 8.9726 120.9344 57.1847 41.1647 177.7944 75 N 3.9773 9.4821 122.2192 54.4154 36.4517 173.9696 76 R 3.9912 7.6052 112.9891 58.2086 28.6045 177.1780 77 Q 4.4687 7.6286 113.7945 55.6309 30.6896 176.0851 78 D 4.9162 8.5944 120.5153 54.9528 41.9246 174.9307 79 Y 4.9437 7.6817 116.8028 55.6523 42.5393 173.5387 80 L 4.8353 9.0361 120.8005 53.7925 43.5240 175.6917 81 E 5.0345 9.6162 126.2578 55.6447 31.0460 174.6258 82 L 5.4647 8.8219 129.5472 53.1574 44.2703 175.2046 83 W 5.2147 8.8135 122.3784 55.0923 32.4484 174.7814 84 K 4.4958 9.0650 114.5783 56.2701 28.9873 175.2952 85 L 4.3312 8.0497 120.8169 55.8109 42.3274 175.6690 86 E 4.8155 9.0406 126.8814 54.8548 33.7067 173.7306 87 V 4.9616 8.2339 124.6449 60.8701 33.9800 175.2555 88 L 4.2954 8.8596 127.9778 53.6226 42.8472 175.0636 89 P 4.2666 0.0000 0.0000 64.3792 31.6564 176.9350 90 G 3.7072 9.5584 108.6095 45.8410 0.0000 173.3723 91 Y 4.7706 7.4562 112.3584 57.5965 40.7971 175.3106 92 Q 4.2921 7.9986 120.0024 55.9743 29.7215 176.2418 93 N 4.2675 8.6024 113.8596 54.3586 36.5570 175.2606 94 R 4.1473 7.8020 115.7188 55.9685 30.5070 177.3098 95 G 3.9368 8.0575 106.9688 45.7731 0.0000 175.2094 96 Y 4.4506 7.7145 118.7410 60.7571 37.8691 178.3890 97 G 3.5477 8.1197 106.2460 47.9216 0.0000 175.3948 98 R 3.9574 8.3360 121.2830 59.0484 30.0584 178.1813 99 A 4.0549 8.1830 120.3539 55.1322 18.5166 179.6138 100 L 4.0182 8.1949 117.5512 58.0509 41.7333 179.6397 101 V 3.6945 8.4164 118.7450 66.1351 31.3043 177.7372 102 E 3.8723 8.5389 117.1854 59.3237 29.4024 178.7352 103 F 4.2208 8.1446 121.2766 61.1817 39.5444 176.7802 104 A 4.1418 7.9708 120.1434 55.3656 18.1429 179.8038 105 K 3.9963 8.1783 116.8694 59.1607 31.7647 179.3821 106 S 4.1018 7.5309 113.5217 60.5146 62.8416 175.8383 107 F 4.1410 8.0181 120.7958 57.6230 38.5787 175.5625 108 K 4.1364 8.2787 117.0737 57.8789 29.9654 175.0840 109 M 4.8251 7.4231 113.5000 52.2824 35.2813 174.2652 110 P 4.3936 0.0000 0.0000 63.4018 32.6687 174.9512 111 I 5.3855 9.3716 121.5530 59.7653 41.2758 174.2954 112 R 5.1471 9.2507 126.3027 54.9571 32.9412 174.3135 113 T 4.7708 8.7480 118.8966 60.6141 71.4473 172.0459 114 N 4.9697 8.5984 126.3150 51.1137 39.7297 172.1965 115 P 4.6708 0.0000 0.0000 61.6474 33.2593 176.1425 116 R 4.4921 8.3279 116.6235 55.5583 31.1153 176.9939 117 M 4.2685 8.6891 120.8951 58.1758 32.2432 177.1758 118 K 4.6621 7.7572 117.3239 55.8445 32.2562 177.4614 119 S 4.6293 7.6855 109.4739 55.9354 63.0674 176.3263 120 A 4.5758 8.3509 125.2037 55.8446 18.5014 179.1172 121 E 3.9686 8.2762 117.9487 59.2872 29.8040 178.3675 122 F 3.9884 8.3147 120.3329 61.3034 39.4048 177.0527 123 W 4.1905 7.9074 118.6664 59.1756 28.8238 178.0972 124 N 4.4236 8.2268 117.5180 56.7409 38.1930 176.9539 125 K 3.9451 7.7023 118.3530 59.7287 32.2936 178.8528 126 M 4.0622 7.3763 115.9096 55.4606 32.1334 175.5111 127 N 4.4154 8.1684 116.6541 54.7513 37.8110 173.6410 128 F 5.0464 8.5782 114.4662 56.3081 40.9936 176.2644 129 K 4.8747 9.0902 120.7040 54.6004 35.7049 175.9775 130 T 4.3453 8.5556 119.7672 63.8469 69.0666 174.8272 131 V 4.0131 8.0626 118.6178 60.8172 32.9426 175.9834 132 K 4.2429 8.3830 121.9086 55.5610 32.5224 176.8040 133 Y 4.2695 8.7163 125.3435 57.9812 39.0957 174.3475 134 D 4.5038 8.5115 125.7155 51.6371 43.2198 175.2928 135 M 3.5715 8.2001 128.2062 57.8548 31.9107 177.6882 136 A 3.9602 7.7573 119.2068 54.5959 18.6886 179.0075 137 R 3.9679 7.3711 116.4122 59.1932 30.6531 177.8065 138 D 4.5180 8.9683 119.0342 54.5753 42.2921 176.6627 139 K 4.1164 8.5917 115.8398 57.7107 29.4449 174.4862 140 G 3.8867 8.2290 104.1399 46.2724 0.0000 171.4691 141 E 4.6399 8.2114 118.6997 54.7864 31.9723 176.0929 142 D 4.9458 8.7077 118.2913 52.0305 41.2538 174.2860 143 P 4.5600 0.0000 0.0000 62.8741 33.2730 176.7942 144 L 5.2551 8.7410 122.3724 53.0538 44.6827 175.4635 145 I 5.5034 8.9676 115.4115 59.4008 41.6862 173.8131 146 W 5.2858 8.9994 131.2903 56.5937 34.1407 172.8723 147 H 4.4053 7.1181 119.6850 52.7846 31.1119 171.2419 148 P 3.6534 0.0000 0.0000 64.3231 31.6396 175.5284 149 D 4.4710 8.5787 117.7692 55.9410 37.0952 175.0734 150 M 4.4678 7.3659 114.6627 55.3785 34.7294 175.6117 151 D 4.7338 8.7386 130.0308 52.4929 43.0198 175.5799 152 R 4.3450 8.5642 123.2022 56.1239 29.8646 176.5269 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 8.29 4.33 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 2 T 7.75 4.34 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 1.47 0.00 0.00 3 K 8.52 4.34 0.00 1.79 1.78 0.00 1.78 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.38 7.81 4 V 8.03 4.11 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.84 0.00 0.00 5 E 9.09 4.85 0.00 2.04 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 6 R 8.64 4.10 0.00 1.88 1.86 0.00 3.09 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 7 L 8.50 4.45 0.00 1.76 1.63 1.03 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.41 4.85 0.00 1.51 1.66 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 9 I 9.09 4.25 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.68 0.87 0.00 0.00 10 N 8.39 4.58 0.00 2.80 2.84 0.00 0.00 6.25 7.57 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 11 Y 8.57 4.09 0.00 3.03 3.07 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 0.00 0.00 0.00 12 K 8.19 3.87 0.00 1.88 1.98 0.00 1.60 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.59 7.81 13 T 8.53 3.67 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 0.44 0.00 0.00 14 L 8.01 4.01 0.00 1.74 1.84 0.84 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.51 4.16 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 16 E 7.93 3.95 0.00 1.92 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 2.41 2.42 0.00 17 F 8.21 4.84 0.00 3.40 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 18 K 7.89 3.70 0.00 1.75 1.66 0.00 1.77 0.00 0.00 1.61 0.00 0.00 3.12 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.13 1.75 7.81 19 K 8.12 4.03 0.00 1.56 1.57 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.39 7.81 20 F 7.57 4.56 0.00 3.29 3.26 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 21 K 9.23 4.15 0.00 1.85 1.98 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.45 7.81 22 E 8.62 4.44 0.00 2.20 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 2.42 2.34 0.00 23 Y 7.46 5.03 0.00 3.13 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 24 G 8.71 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 25 I 8.32 3.77 1.85 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 1.50 0.82 0.91 0.00 0.00 26 Q 8.11 3.93 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 27 E 7.80 3.80 0.00 1.20 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 1.71 1.97 0.00 28 L 7.53 4.04 0.00 1.83 1.74 1.02 0.88 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 29 S 8.61 4.16 0.00 3.98 4.11 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 30 M 8.17 3.98 0.00 2.12 2.39 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.62 0.00 31 L 7.83 3.87 0.00 1.82 1.93 1.08 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.16 3.97 0.00 2.11 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 2.48 2.38 0.00 33 E 8.69 3.98 0.00 2.15 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 2.55 2.46 0.00 34 L 7.79 3.90 0.00 1.47 1.70 0.80 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.05 4.25 0.00 2.35 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.71 0.00 0.00 0.00 0.00 0.00 2.75 2.45 0.00 36 D 7.77 4.88 0.00 2.73 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.07 4.79 0.00 2.73 2.77 0.00 0.00 7.04 7.26 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 38 I 8.48 3.74 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.57 0.95 0.00 0.00 39 I 7.87 3.81 2.03 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 1.48 0.74 0.92 0.00 0.00 40 E 7.99 4.66 0.00 2.04 1.98 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 2.30 2.17 0.00 41 N 8.40 4.44 0.00 2.74 2.83 0.00 0.00 7.07 8.04 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 42 D 8.82 4.43 0.00 2.84 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 43 S 7.77 4.85 0.00 3.89 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 44 T 8.26 4.93 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 1.21 0.00 0.00 45 S 7.70 4.69 0.00 3.89 3.95 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 46 P 0.00 4.41 0.00 1.45 2.10 0.00 3.45 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 1.96 2.06 0.00 47 F 7.81 4.93 0.00 2.95 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 48 Y 9.20 5.08 0.00 2.94 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 49 G 9.29 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 50 I 8.67 5.05 1.63 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.67 0.86 0.00 0.00 51 Y 8.67 4.94 0.00 2.74 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 52 F 8.73 4.78 0.00 3.04 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.02 3.76 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 0.00 0.00 0.00 54 D 9.07 4.85 0.00 2.69 2.67 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 55 K 8.20 4.51 0.00 2.01 1.70 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.43 7.81 56 L 8.91 3.42 0.00 1.08 1.43 0.42 1.09 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 57 V 8.02 4.14 1.54 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 0.01 0.00 0.00 -0.59 0.00 0.00 58 A 7.38 5.22 1.17 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 59 R 8.60 5.00 0.00 1.68 1.70 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.05 0.00 60 M 8.44 4.74 0.00 2.19 1.93 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 2.48 2.42 0.00 61 S 8.70 4.38 0.00 2.72 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 62 L 8.15 5.22 0.00 1.57 1.47 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 8.81 4.87 0.00 3.33 3.20 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 64 Q 8.04 4.22 0.00 1.81 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.58 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 65 V 8.11 3.91 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 0.00 0.00 0.78 0.00 0.00 0.83 0.00 0.00 66 N 8.57 4.77 0.00 2.81 2.71 0.00 0.00 6.97 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 9.84 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 0.00 0.00 0.00 68 K 8.35 4.07 0.00 1.84 1.90 0.00 1.65 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.43 7.81 69 S 7.80 4.80 0.00 3.99 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 70 N 7.56 5.03 0.00 3.08 3.25 0.00 0.00 6.90 7.90 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 71 P 0.00 4.56 0.00 2.00 2.01 0.00 3.55 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 72 Y 8.15 4.03 0.00 2.30 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 0.00 0.00 0.00 73 F 7.58 4.90 0.00 3.14 2.91 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 74 D 8.97 4.38 0.00 2.77 2.61 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 0.00 75 N 9.48 3.98 0.00 2.91 3.14 0.00 0.00 6.24 7.66 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 76 R 7.61 3.99 0.00 1.99 2.21 0.00 3.35 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 77 Q 7.63 4.47 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 78 D 8.59 4.92 0.00 2.53 2.57 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 79 Y 7.68 4.94 0.00 3.26 3.03 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 0.00 0.00 0.00 80 L 9.04 4.84 0.00 1.70 1.65 0.53 0.57 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 81 E 9.62 5.03 0.00 2.27 2.17 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 2.22 2.62 0.00 82 L 8.82 5.46 0.00 1.88 1.69 1.23 1.33 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 83 W 8.81 5.21 0.00 3.37 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 84 K 9.06 4.50 0.00 1.86 1.97 0.00 2.06 0.00 0.00 2.61 0.00 0.00 3.05 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.51 1.80 7.81 85 L 8.05 4.33 0.00 1.79 1.79 1.01 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 86 E 9.04 4.82 0.00 2.15 1.82 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 2.54 2.38 0.00 87 V 8.23 4.96 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 1.11 0.00 0.00 0.97 0.00 0.00 88 L 8.86 4.30 0.00 1.54 1.45 0.56 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.27 0.00 2.15 2.04 0.00 3.69 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 1.97 1.93 0.00 90 G 9.56 3.71 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 0.00 0.00 0.00 91 Y 7.46 4.77 0.00 3.08 3.07 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 0.00 0.00 0.00 92 Q 8.00 4.29 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.17 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 93 N 8.60 4.27 0.00 2.86 2.92 0.00 0.00 6.89 7.66 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 94 R 7.80 4.15 0.00 1.75 1.64 0.00 3.19 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 95 G 8.06 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 96 Y 7.71 4.45 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 97 G 8.12 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 98 R 8.34 3.96 0.00 1.86 1.99 0.00 3.16 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 99 A 8.18 4.05 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.19 4.02 0.00 1.96 1.83 0.95 0.72 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 0.00 101 V 8.42 3.69 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 1.15 0.00 0.00 1.02 0.00 0.00 102 E 8.54 3.87 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.37 0.00 103 F 8.14 4.22 0.00 3.22 3.35 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 0.00 104 A 7.97 4.14 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.18 4.00 0.00 1.79 1.60 0.00 1.28 0.00 0.00 1.08 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.30 1.02 7.81 106 S 7.53 4.10 0.00 3.78 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 0.00 107 F 8.02 4.14 0.00 3.26 3.07 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 0.00 0.00 0.00 108 K 8.28 4.14 0.00 1.93 1.91 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.58 7.81 109 M 7.42 4.83 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.44 0.00 110 P 0.00 4.39 0.00 0.49 0.91 0.00 3.50 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.64 0.00 111 I 9.37 5.39 2.31 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.45 1.29 0.00 0.00 112 R 9.25 5.15 0.00 1.28 1.86 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.80 0.00 113 T 8.75 4.77 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 -0.30 0.00 0.00 114 N 8.60 4.97 0.00 2.64 2.66 0.00 0.00 7.07 7.69 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 0.00 115 P 0.00 4.67 0.00 2.32 1.60 0.00 3.77 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.74 0.00 116 R 8.33 4.49 0.00 1.92 1.95 0.00 3.44 0.00 0.00 3.43 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 117 M 8.69 4.27 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 118 K 7.76 4.66 0.00 1.77 1.85 0.00 1.84 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.38 7.81 119 S 7.69 4.63 0.00 3.97 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.35 4.58 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 0.00 121 E 8.28 3.97 0.00 2.16 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 2.42 2.46 0.00 122 F 8.31 3.99 0.00 3.06 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 0.00 123 W 7.91 4.19 0.00 3.85 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 0.00 124 N 8.23 4.42 0.00 3.07 3.07 0.00 0.00 7.07 6.68 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 0.00 125 K 7.70 3.95 0.00 1.62 1.71 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.64 1.55 7.81 126 M 7.38 4.06 0.00 2.25 2.30 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.47 0.00 127 N 8.17 4.42 0.00 3.08 3.09 0.00 0.00 7.10 6.60 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 0.00 128 F 8.58 5.05 0.00 3.29 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 0.00 129 K 9.09 4.87 0.00 1.76 1.73 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.49 7.81 130 T 8.56 4.35 4.29 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 1.25 0.00 0.00 131 V 8.06 4.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.08 0.00 0.00 132 K 8.38 4.24 0.00 1.73 1.75 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.37 7.81 133 Y 8.72 4.27 0.00 3.00 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 0.00 134 D 8.51 4.50 0.00 2.44 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 0.00 0.00 0.00 135 M 8.20 3.57 0.00 2.00 2.05 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 2.78 2.55 0.00 136 A 7.76 3.96 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 0.00 137 R 7.37 3.97 0.00 1.56 1.80 0.00 2.21 0.00 0.00 2.67 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.36 0.00 138 D 8.97 4.52 0.00 2.51 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 0.00 139 K 8.59 4.12 0.00 1.85 1.97 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.54 1.37 7.81 140 G 8.23 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 0.00 141 E 8.21 4.64 0.00 2.15 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 2.27 2.28 0.00 142 D 8.71 4.95 0.00 2.58 2.55 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 0.00 143 P 0.00 4.56 0.00 1.96 2.03 0.00 3.76 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 2.21 2.25 0.00 144 L 8.74 5.26 0.00 1.23 1.63 0.51 0.78 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 0.00 145 I 8.97 5.50 2.14 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 1.27 1.45 0.61 0.00 0.00 146 W 9.00 5.29 0.00 1.81 2.33 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 0.00 147 H 7.12 4.41 0.00 2.64 2.69 0.00 5.80 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 0.00 148 P 0.00 3.65 0.00 1.87 1.91 0.00 3.40 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 149 D 8.58 4.47 0.00 2.71 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 0.00 150 M 7.37 4.47 0.00 1.85 1.27 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.25 0.00 151 D 8.74 4.73 0.00 2.72 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 0.00 152 R 8.56 4.35 0.00 1.91 1.91 0.00 3.32 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00