NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3927 8.4045 120.3499 54.9847 32.3819 174.9011 2 E 4.0651 8.4185 124.3062 55.8975 30.9564 172.3423 3 L 5.1398 8.6780 123.8054 52.8515 45.1711 175.1715 4 T 4.8661 8.9132 115.8005 60.9706 71.3831 172.0418 5 T 5.2545 8.4780 110.3799 60.2076 72.1528 173.0935 6 R 4.7451 9.0136 121.3301 55.3293 34.2218 173.4297 7 T 5.0101 8.3922 120.4460 61.8258 70.7599 173.9257 8 L 4.4766 8.9927 127.6023 53.0338 42.8702 175.3675 9 P 4.5817 0.0000 0.0000 62.2951 32.1243 176.3760 10 A 4.0593 8.4474 121.4659 54.4914 18.3623 178.0211 11 R 4.0926 7.6419 117.2930 55.1433 29.5602 175.7317 12 K 4.3749 8.4843 125.2017 56.4117 34.1214 176.2770 13 H 5.2161 9.6111 121.2712 54.8647 30.1077 173.8654 14 I 5.0179 9.2773 125.4705 59.5280 39.5083 174.7951 15 A 5.1353 9.2150 129.4305 50.5564 20.9788 175.6009 16 L 5.0473 9.1432 123.2050 52.9311 44.3851 175.9388 17 V 4.6664 8.9744 123.6286 61.1328 35.1116 173.9705 18 A 5.4001 8.3864 126.9839 51.0153 22.4441 175.7230 19 H 4.7954 9.2975 118.5879 55.3752 30.1595 176.3840 20 D 4.4557 9.1903 120.9779 58.3170 40.6821 179.2870 21 H 4.4159 8.3015 112.6515 57.6631 29.0876 176.1656 22 C 4.7503 8.3806 116.8081 59.3047 28.6995 175.5910 23 K 4.0992 7.9191 124.3612 60.3502 31.7159 179.6364 24 Q 4.0731 8.1547 120.3647 60.3446 28.0382 180.0026 25 M 4.3437 8.0882 119.4480 58.6601 32.4450 178.0123 26 L 4.1579 8.2901 120.5641 58.2410 42.1270 178.6956 27 M 4.0934 8.4720 119.0147 58.6426 31.9732 178.7869 28 S 4.1727 8.2235 115.0492 61.4398 62.5553 176.5995 29 W 4.2042 8.4550 130.9076 60.6241 30.2689 178.1602 30 V 3.4933 8.4169 117.2943 65.9176 31.3610 177.5877 31 E 4.0911 8.5629 118.9645 59.3721 29.1970 179.4398 32 R 4.0524 7.9300 114.0454 58.1967 29.7399 176.8691 33 H 4.6445 7.1906 115.5397 55.2951 29.7593 175.3204 34 Q 3.8988 7.8239 122.9314 59.1331 28.4775 176.7201 35 P 4.3993 0.0000 0.0000 65.6302 31.5992 177.8966 36 L 4.2177 7.7427 118.3299 57.9956 42.3002 178.7159 37 L 4.2068 8.0387 118.8869 57.7257 41.3074 179.1632 38 E 4.0716 8.4755 117.9711 58.8828 29.4797 177.8415 39 Q 4.1697 7.8164 116.1193 56.9237 29.1448 174.4802 40 H 4.9350 7.8807 114.5126 53.7677 32.6053 173.0254 41 V 4.1582 8.5873 119.4657 61.9290 32.7436 174.6591 42 L 5.2246 8.3354 127.8446 53.6703 43.9089 175.1906 43 Y 5.2351 9.1750 119.9241 56.6807 42.6014 174.0745 44 A 5.2140 8.6704 121.0930 52.2263 23.5965 175.9711 45 T 4.1477 8.4267 109.6647 61.2085 70.5821 175.6003 46 G 3.9186 9.0122 108.5791 48.7894 0.0000 176.2186 47 T 3.9234 7.7535 117.4596 66.0489 68.7218 176.9464 48 T 3.9736 7.9871 117.2653 66.6786 68.5621 176.3937 49 G 3.7643 8.4716 107.8044 48.2632 0.0000 175.3513 50 N 4.4078 8.1024 118.7965 55.8805 38.4219 177.6342 51 L 4.0528 8.1138 120.5081 57.5976 41.6416 179.5918 52 I 3.7099 7.9988 120.1504 64.5410 37.1692 178.7467 53 S 4.4155 8.2246 117.4624 62.0833 62.5589 177.1997 54 R 4.0014 7.9961 123.1812 60.3759 29.2035 181.0706 55 A 4.6600 7.6228 118.0023 53.5549 19.8427 178.3191 56 T 4.3905 8.3141 106.4280 60.8350 70.1407 176.0145 57 G 3.9155 8.1037 109.0060 45.7885 0.0000 173.8123 58 M 4.1892 7.7477 119.0055 55.0055 32.5555 175.2775 59 N 4.6292 8.4336 119.4428 52.5055 39.5882 174.2945 60 V 4.3986 8.0851 125.3298 61.2021 34.5411 175.3018 61 N 4.6427 8.9368 126.0439 52.3769 38.1949 172.9886 62 A 4.6818 8.2513 124.9476 51.9906 19.2895 176.8408 63 M 4.6158 8.8276 124.2027 54.1793 35.5171 175.8341 64 L 4.2358 9.0157 119.6867 55.0846 43.3580 176.9780 65 S 4.3829 8.6700 115.2944 58.5913 63.4164 175.0878 66 G 3.7745 9.0613 114.4665 48.4811 0.0000 174.2099 67 P 4.0717 0.0000 0.0000 64.6320 31.3946 177.1046 68 M 4.3014 7.8603 115.5520 54.7972 32.3483 175.8671 69 G 3.8396 8.1292 107.5760 45.4161 0.0000 176.5709 70 G 3.6679 8.8282 108.6085 48.1335 0.0000 175.5991 71 D 4.2984 8.0016 120.6271 57.2250 40.8486 178.7343 72 Q 4.1340 7.9997 117.9981 58.6487 28.7843 178.5484 73 Q 3.9378 7.8873 119.3825 58.8310 28.7595 178.7899 74 V 3.5856 7.8252 119.4430 65.8632 31.5665 178.2050 75 G 3.6179 8.4552 105.7204 47.7839 0.0000 175.4438 76 A 3.9271 8.3120 123.5290 54.8912 18.3348 179.6894 77 L 3.7855 7.8414 117.4401 57.8036 41.5728 179.8615 78 I 3.5172 7.7075 119.9368 64.3748 36.9081 178.7175 79 S 2.7900 7.5461 113.0979 60.1392 62.8337 175.2084 80 E 4.0546 7.2387 119.7922 55.4200 29.4878 176.5875 81 G 3.6416 7.2682 107.0886 46.2270 0.0000 174.7532 82 K 4.1484 7.9793 118.1054 55.8715 32.7599 176.6801 83 I 4.3849 7.2386 119.5720 59.4769 39.7411 174.6644 84 D 4.8595 9.0584 124.4012 54.8143 42.9771 177.1193 85 V 4.6826 7.6496 117.5256 60.9286 35.4813 173.6816 86 L 5.0763 8.8682 129.4443 53.4947 44.7371 175.0400 87 I 4.6184 8.9351 128.7703 59.8835 38.8564 174.5573 88 F 5.3417 9.4017 131.4484 56.5514 41.1195 173.4250 89 F 5.6631 9.5148 127.2093 56.1856 37.7126 175.0089 90 W 4.5203 7.8823 119.1323 55.3046 29.9091 176.1940 91 D 4.4132 9.1300 121.7902 53.1223 40.4731 174.2556 92 P 4.4935 0.0000 0.0000 63.2468 31.7807 176.2991 93 L 4.7771 8.3236 118.4155 54.3016 42.4324 175.7309 94 N 4.9353 7.8636 114.0936 51.7557 42.5258 173.8191 95 A 4.3990 8.4952 124.8539 51.4805 19.8268 177.1704 96 V 4.4538 8.0594 115.9819 58.4988 33.9363 175.1810 97 P 4.2895 0.0000 0.0000 65.9253 31.5060 176.9282 98 H 4.8510 7.9951 114.5533 55.4528 29.8706 176.7882 99 D 4.2825 7.7736 123.6096 58.1340 41.0605 175.1520 100 P 4.2113 0.0000 0.0000 66.0228 31.1141 178.1192 101 D 4.3487 8.0706 118.1397 56.9810 40.8023 178.6622 102 V 3.8022 7.7154 118.3536 66.2154 31.5066 178.3209 103 K 3.8275 8.2900 118.2376 59.1955 31.8314 179.2978 104 A 3.9602 8.3649 121.5870 54.9062 18.3235 179.4389 105 L 3.9197 8.2220 119.0685 58.4753 42.1510 179.2896 106 L 4.1054 8.0007 118.9186 57.6995 41.4840 179.5454 107 R 3.8962 8.1877 119.0554 59.3417 29.9399 178.6388 108 L 4.0865 8.1637 118.6805 57.7659 41.5261 179.3188 109 A 4.1016 8.2467 120.6902 55.2633 18.1897 179.9750 110 T 3.8774 7.7011 114.3450 66.6988 68.3959 177.2312 111 V 3.3585 7.5275 119.2570 65.7265 31.5101 176.7122 112 W 4.3546 8.2752 116.4051 55.9637 29.3183 175.6015 113 N 4.1660 7.5904 116.1875 54.8754 37.1230 173.2522 114 I 4.6933 7.2882 109.9905 58.2451 40.9685 175.1290 115 P 4.4831 0.0000 0.0000 63.1820 32.3670 175.4773 116 V 5.0750 8.4415 122.6462 61.1188 34.7160 174.0740 117 A 4.9569 9.1684 129.2850 50.3979 21.4814 176.4572 118 T 5.3726 9.0557 110.3780 60.5422 70.1232 173.6689 119 N 4.1503 7.3874 119.3119 50.2834 41.5633 175.1735 120 V 3.3836 7.5434 119.5557 65.9425 31.6021 177.6269 121 A 4.1044 7.8733 119.9743 55.8267 18.2451 179.6792 122 T 3.8804 8.5881 114.2197 66.4677 68.4197 177.0197 123 A 3.9717 7.9071 122.8770 55.2025 18.3487 179.4572 124 D 4.5412 8.7737 117.8643 57.6814 40.7330 178.9796 125 F 3.8785 8.2479 117.0631 60.5012 39.2074 177.6400 126 I 3.9657 8.0595 119.3457 64.5599 36.8295 178.4633 127 I 2.7073 7.7301 117.7359 63.2001 37.7955 176.9881 128 Q 4.2103 7.6664 116.7293 55.5884 29.6786 176.0660 129 S 4.3324 7.4303 116.3568 57.0378 63.3686 172.5381 130 P 4.2538 0.0000 0.0000 66.6881 30.6779 177.8766 131 H 4.7116 8.0806 111.6775 56.0239 28.3789 176.1488 132 F 4.3439 8.2306 123.5826 60.5365 39.3060 175.7993 133 N 4.7888 8.0419 115.2754 53.0297 38.6797 173.5585 134 D 5.1678 7.5724 117.8188 52.0574 45.1995 174.6315 135 A 4.6774 8.4556 121.4182 51.8484 19.9477 177.4141 136 V 4.3897 8.3679 119.0525 60.5655 35.2066 172.9057 137 D 5.2937 8.6678 123.8675 53.6607 41.8729 175.7083 138 I 4.7436 8.9117 116.2140 59.0196 41.3521 174.3286 139 L 5.0624 8.4763 123.0714 54.1055 42.9724 176.0309 140 I 4.9116 8.9132 115.5003 58.2314 41.5832 172.6702 141 P 4.4237 0.0000 0.0000 63.1924 32.1139 176.7973 142 D 4.6922 9.1049 122.4422 53.1906 40.5272 176.3224 143 Y 4.2034 8.7104 129.7852 61.0659 39.0689 177.8405 144 Q 4.1024 8.5991 123.5515 61.2693 28.2269 181.4954 145 R 4.1541 7.9891 122.8346 61.1243 29.1510 180.2349 146 Y 4.1412 7.6657 119.1634 60.6097 39.2729 177.6312 147 L 3.5405 8.1245 121.2547 57.8901 42.2757 178.5768 148 A 3.9354 7.9318 120.6799 55.4585 17.9793 179.3754 149 D 4.3437 7.8123 116.6835 57.2789 40.6408 179.1325 150 R 3.9220 7.3383 117.6512 58.1867 30.1118 177.8892 151 L 4.4665 7.1757 117.7369 55.1463 42.1793 177.3601 152 K 4.1594 7.4380 124.6899 54.7146 31.7081 182.0038 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 8.40 4.39 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 2 E 8.42 4.07 0.00 1.78 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 2.31 1.98 0.00 3 L 8.68 5.14 0.00 1.50 1.60 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.91 4.87 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 1.34 0.00 0.00 5 T 8.48 5.25 4.36 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 1.23 0.00 0.00 6 R 9.01 4.75 0.00 1.89 1.80 0.00 3.03 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 7 T 8.39 5.01 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 1.24 0.00 0.00 8 L 8.99 4.48 0.00 1.55 1.58 0.95 0.91 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 9 P 0.00 4.58 0.00 2.27 2.06 0.00 3.98 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 10 A 8.45 4.06 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 11 R 7.64 4.09 0.00 1.71 1.80 0.00 3.18 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 12 K 8.48 4.37 0.00 1.45 1.58 0.00 1.59 0.00 0.00 1.81 0.00 0.00 2.70 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 0.67 7.81 13 H 9.61 5.22 0.00 3.19 3.28 0.00 5.78 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 9.28 5.02 2.03 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 1.32 0.68 1.13 0.00 0.00 15 A 9.21 5.14 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 16 L 9.14 5.05 0.00 1.55 1.55 1.01 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 17 V 8.97 4.67 1.56 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 0.70 0.00 0.00 0.65 0.00 0.00 18 A 8.39 5.40 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 19 H 9.30 4.80 0.00 3.29 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 9.19 4.46 0.00 2.71 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 H 8.30 4.42 0.00 3.35 3.39 0.00 5.86 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 22 C 8.38 4.75 0.00 3.25 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 23 K 7.92 4.10 0.00 1.98 1.92 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.69 7.81 24 Q 8.15 4.07 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 25 M 8.09 4.34 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.62 0.00 26 L 8.29 4.16 0.00 1.74 1.83 0.18 0.96 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 27 M 8.47 4.09 0.00 2.11 2.34 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 2.67 2.96 0.00 28 S 8.22 4.17 0.00 4.18 4.01 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 29 W 8.45 4.20 0.00 3.72 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 30 V 8.42 3.49 2.38 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 0.92 0.00 0.00 1.21 0.00 0.00 31 E 8.56 4.09 0.00 2.27 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 2.32 2.32 0.00 32 R 7.93 4.05 0.00 1.84 2.08 0.00 2.91 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.16 0.00 33 H 7.19 4.64 0.00 2.49 2.81 0.00 5.63 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.82 3.90 0.00 2.27 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.07 6.73 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 35 P 0.00 4.40 0.00 2.03 2.10 0.00 3.57 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 1.98 2.12 0.00 36 L 7.74 4.22 0.00 1.77 1.79 1.20 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.04 4.21 0.00 1.73 1.75 0.74 0.85 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 38 E 8.48 4.07 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 39 Q 7.82 4.17 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 40 H 7.88 4.94 0.00 3.06 3.46 0.00 5.64 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 41 V 8.59 4.16 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 0.86 0.00 0.00 0.88 0.00 0.00 42 L 8.34 5.22 0.00 1.74 1.58 0.95 0.92 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 43 Y 9.18 5.24 0.00 2.82 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 44 A 8.67 5.21 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 45 T 8.43 4.15 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 46 G 9.01 3.92 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 0.00 0.00 0.00 47 T 7.75 3.92 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 48 T 7.99 3.97 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 1.29 0.00 0.00 49 G 8.47 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 50 N 8.10 4.41 0.00 2.90 2.88 0.00 0.00 7.10 6.36 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 51 L 8.11 4.05 0.00 1.87 1.74 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.00 3.71 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.74 0.93 0.00 0.00 53 S 8.22 4.42 0.00 4.12 4.14 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 0.00 0.00 0.00 0.00 54 R 8.00 4.00 0.00 1.96 1.89 0.00 3.25 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 55 A 7.62 4.66 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 56 T 8.31 4.39 4.39 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 1.23 0.00 0.00 57 G 8.10 3.92 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 0.00 0.00 0.00 58 M 7.75 4.19 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.47 0.00 59 N 8.43 4.63 0.00 2.64 2.68 0.00 0.00 6.71 7.71 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 60 V 8.09 4.40 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 0.87 0.00 0.00 0.92 0.00 0.00 61 N 8.94 4.64 0.00 2.24 2.64 0.00 0.00 6.55 8.24 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 62 A 8.25 4.68 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 63 M 8.83 4.62 0.00 2.07 2.03 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 2.57 2.81 0.00 64 L 9.02 4.24 0.00 1.70 1.58 0.95 0.92 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 65 S 8.67 4.38 0.00 3.90 3.72 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 66 G 9.06 3.77 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 0.00 0.00 0.00 67 P 0.00 4.07 0.00 1.99 2.01 0.00 3.56 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.84 0.00 68 M 7.86 4.30 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 69 G 8.13 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 70 G 8.83 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 71 D 8.00 4.30 0.00 2.75 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 72 Q 8.00 4.13 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 73 Q 7.89 3.94 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 74 V 7.83 3.59 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 0.90 0.00 0.00 0.92 0.00 0.00 75 G 8.46 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 76 A 8.31 3.93 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 77 L 7.84 3.79 0.00 1.71 1.46 0.71 0.44 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 78 I 7.71 3.52 1.98 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 1.51 0.63 0.92 0.00 0.00 79 S 7.55 2.79 0.00 3.87 3.92 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 80 E 7.24 4.05 0.00 1.95 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 2.12 2.14 0.00 81 G 7.27 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 82 K 7.98 4.15 0.00 1.59 1.60 0.00 1.51 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.24 1.21 7.81 83 I 7.24 4.38 1.72 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.65 0.88 0.00 0.00 84 D 9.06 4.86 0.00 2.51 2.70 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 85 V 7.65 4.68 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 1.07 0.00 0.00 1.04 0.00 0.00 86 L 8.87 5.08 0.00 1.82 1.55 0.87 1.08 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 87 I 8.94 4.62 1.67 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.70 0.12 0.00 0.00 88 F 9.40 5.34 0.00 3.01 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 89 F 9.51 5.66 0.00 2.93 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 90 W 7.88 4.52 0.00 3.08 1.74 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 91 D 9.13 4.41 0.00 2.81 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 92 P 0.00 4.49 0.00 1.90 1.15 0.00 3.49 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.45 0.00 93 L 8.32 4.78 0.00 1.51 1.60 0.84 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 94 N 7.86 4.94 0.00 2.82 2.67 0.00 0.00 7.03 7.35 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 95 A 8.50 4.40 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 96 V 8.06 4.45 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 0.69 0.00 0.00 0.89 0.00 0.00 97 P 0.00 4.29 0.00 2.22 2.23 0.00 3.81 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 2.11 2.01 0.00 98 H 8.00 4.85 0.00 3.55 3.55 0.00 5.47 0.00 0.00 0.00 0.00 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 7.77 4.28 0.00 2.85 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 0.00 100 P 0.00 4.21 0.00 2.30 2.29 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 101 D 8.07 4.35 0.00 3.04 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 0.00 102 V 7.72 3.80 2.16 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 0.67 0.00 0.00 1.17 0.00 0.00 103 K 8.29 3.83 0.00 1.90 1.76 0.00 1.29 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.33 1.31 7.81 104 A 8.36 3.96 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 0.00 105 L 8.22 3.92 0.00 1.87 1.98 0.90 0.62 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 0.00 106 L 8.00 4.11 0.00 1.66 1.66 0.31 1.00 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 0.00 107 R 8.19 3.90 0.00 1.98 2.07 0.00 3.07 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 108 L 8.16 4.09 0.00 2.07 1.84 1.03 0.74 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 0.00 109 A 8.25 4.10 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 0.00 110 T 7.70 3.88 4.41 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 1.19 0.00 0.00 111 V 7.53 3.36 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 -0.01 0.00 0.00 0.82 0.00 0.00 112 W 8.28 4.35 0.00 3.45 3.22 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 0.00 113 N 7.59 4.17 0.00 2.79 2.96 0.00 0.00 6.95 9.05 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 0.00 114 I 7.29 4.69 2.15 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.89 0.97 0.00 0.00 115 P 0.00 4.48 0.00 2.22 2.13 0.00 3.90 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 116 V 8.44 5.07 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 0.97 0.00 0.00 1.05 0.00 0.00 117 A 9.17 4.96 1.23 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 0.00 118 T 9.06 5.37 4.33 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 1.44 0.00 0.00 119 N 7.39 4.15 0.00 2.61 2.55 0.00 0.00 5.84 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 0.00 120 V 7.54 3.38 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 1.26 0.00 0.00 0.76 0.00 0.00 121 A 7.87 4.10 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 0.00 122 T 8.59 3.88 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 1.25 0.00 0.00 123 A 7.91 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.77 4.54 0.00 3.12 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.25 3.88 0.00 3.24 3.19 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 0.00 126 I 8.06 3.97 2.14 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.98 1.03 0.00 0.00 127 I 7.73 2.71 1.86 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 -0.36 0.80 0.00 0.00 128 Q 7.67 4.21 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 129 S 7.43 4.33 0.00 4.13 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 0.00 130 P 0.00 4.25 0.00 2.14 2.29 0.00 3.77 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 2.03 1.99 0.00 131 H 8.08 4.71 0.00 3.25 3.41 0.00 5.70 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 8.23 4.34 0.00 3.21 3.24 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 0.00 133 N 8.04 4.79 0.00 2.79 2.88 0.00 0.00 6.82 8.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 D 7.57 5.17 0.00 2.69 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 0.00 135 A 8.46 4.68 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 0.00 136 V 8.37 4.39 1.80 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 0.74 0.00 0.00 0.80 0.00 0.00 137 D 8.67 5.29 0.00 2.56 2.64 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 0.00 138 I 8.91 4.74 1.91 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 1.38 0.90 0.94 0.00 0.00 139 L 8.48 5.06 0.00 1.57 1.64 0.93 0.79 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 0.00 140 I 8.91 4.91 2.20 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.43 1.13 0.00 0.00 141 P 0.00 4.42 0.00 1.75 1.79 0.00 3.51 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.09 0.00 142 D 9.10 4.69 0.00 2.76 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 0.00 143 Y 8.71 4.20 0.00 3.41 3.17 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 0.00 144 Q 8.60 4.10 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.01 0.00 145 R 7.99 4.15 0.00 1.77 1.97 0.00 3.24 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 146 Y 7.67 4.14 0.00 2.86 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.12 3.54 0.00 1.04 1.35 0.86 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 148 A 7.93 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 0.00 149 D 7.81 4.34 0.00 2.75 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 0.00 150 R 7.34 3.92 0.00 1.69 1.80 0.00 3.07 0.00 0.00 2.74 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.97 0.00 151 L 7.18 4.47 0.00 1.65 1.65 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 152 K 7.44 4.16 0.00 1.82 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.25 7.81