NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2588 8.3344 116.7694 58.0461 65.3274 173.0670 5 V 3.7034 7.4488 124.4957 61.1623 31.6709 170.5463 6 V 4.2036 8.9829 128.6896 61.5739 33.8156 174.6119 7 K 4.7382 8.1535 124.4743 54.3558 34.9050 177.5563 8 S 4.2462 8.7191 118.4475 61.5776 62.9337 176.0502 9 E 4.2452 8.0542 115.8296 57.8076 29.9769 176.8165 10 D 4.6198 8.0941 119.9287 54.7810 41.0064 177.4809 11 Y 4.0970 7.5160 118.3203 60.1655 37.6871 177.5273 12 A 4.2448 7.0261 119.5848 52.4215 18.7280 176.6271 13 L 4.7405 7.4735 116.1365 51.7780 43.9460 174.8996 14 P 4.3785 0.0000 0.0000 63.0374 31.7679 175.6358 15 S 4.8229 8.1951 114.5419 56.5156 66.3125 172.4525 16 Y 4.3550 8.3597 120.9534 56.9234 39.5790 174.8142 17 V 4.2701 6.4048 116.7944 60.2763 35.6621 173.4854 18 D 4.6948 8.5403 124.1612 52.8634 41.3526 176.3546 19 R 4.5317 7.9387 122.8924 54.3225 34.2026 176.5544 20 R 3.2213 8.6493 122.2831 59.0413 30.1535 177.2693 21 D 4.7292 7.9211 113.7634 53.8755 39.1313 175.6961 22 Y 4.8322 8.1528 121.2754 55.8762 38.6539 173.9897 23 P 4.5727 0.0000 0.0000 64.7880 32.2150 177.0867 24 L 4.7066 6.6697 117.8770 51.8655 40.0473 174.3411 25 P 4.6547 0.0000 0.0000 61.9487 32.1499 177.6011 26 D 4.6035 8.6543 119.0651 56.6817 41.0054 176.9739 27 V 4.5540 7.1178 109.6593 58.8404 35.7072 175.0595 28 A 4.2134 8.3264 124.0400 52.3158 18.9372 177.4747 29 H 3.6770 8.5973 121.7933 58.2697 29.9692 176.0022 30 V 4.1817 8.0276 119.0454 60.7564 32.7719 174.8317 31 K 4.3490 8.4991 125.6963 57.3807 34.2508 176.3826 32 N 4.6699 7.8892 116.4550 52.2987 39.4514 174.1653 33 L 4.7341 8.0965 121.6048 52.4911 44.8702 177.3209 34 S 4.4649 8.3122 117.3831 57.3445 65.6250 175.0695 35 A 3.9869 8.4454 122.8094 55.5524 17.9179 179.9234 36 S 4.1505 7.9997 112.0976 61.5417 63.2077 176.5432 37 Q 3.9735 8.0602 121.5296 58.6025 28.3759 178.5967 38 K 3.9283 8.5340 119.8661 59.4834 32.0233 179.2283 39 A 4.0263 7.9603 121.0307 54.9124 18.2483 179.4101 40 L 3.8978 8.2753 119.2888 58.3665 41.9830 179.4666 41 K 4.1105 8.0561 117.0760 59.0541 32.1267 178.9673 42 E 4.1539 7.9582 119.0792 59.1684 29.4927 178.9850 43 K 3.9543 8.3486 119.8111 59.3926 31.9805 178.2482 44 E 4.3151 8.0111 118.5325 58.4810 29.6459 178.1675 45 K 4.2638 8.1693 116.9081 57.2392 32.4604 176.4797 46 A 4.4921 7.4072 122.2552 49.7070 21.0967 176.3307 47 S 3.9002 8.4486 112.4551 59.0780 62.7091 175.3713 48 W 4.6578 8.4709 126.2717 59.1218 29.2659 178.4812 49 S 4.2947 7.8418 114.1526 61.1806 62.2708 175.4026 50 S 4.4934 8.0247 114.5410 59.1100 63.1231 174.6039 51 L 4.3780 7.5638 121.5230 54.3752 42.0211 177.7548 52 S 4.5203 9.4931 118.6564 57.5198 65.3434 175.6743 53 I 3.6696 8.1908 122.6058 64.7680 36.8321 178.2296 54 D 4.3799 8.1146 118.9743 57.5569 40.6030 178.6070 55 E 3.9774 8.4910 119.1820 59.4012 29.4263 179.6037 56 K 3.8908 8.4020 118.7915 59.4410 32.0400 179.4727 57 V 3.6173 8.1305 118.8539 66.1022 31.3094 177.7253 58 E 3.9623 8.3243 119.0303 59.2197 29.3457 178.6924 59 L 3.9517 8.2479 119.4093 57.7564 41.7583 178.7753 60 Y 4.0289 8.2479 119.5280 60.9836 38.6240 178.5741 61 R 4.3849 8.2323 118.3962 58.0374 30.3688 178.5712 62 L 4.1238 7.4951 119.5557 57.2241 41.7312 179.0139 63 K 3.6700 7.5772 119.4483 57.5844 31.9435 176.5902 64 F 5.1978 7.3398 116.0696 55.5047 42.5351 174.9181 65 K 3.7462 9.0598 124.5898 57.7198 32.5270 176.4264 66 E 4.9708 8.4161 119.0068 54.2496 32.0174 176.9472 67 S 5.1805 9.2933 119.4965 57.3114 65.4204 175.6671 68 F 4.0162 8.9548 119.6828 60.7079 38.4025 177.5702 69 A 4.0641 8.1444 118.5424 55.3026 18.3065 179.0998 70 E 4.1003 8.0739 116.9266 59.8243 29.4439 179.4849 71 M 4.3267 8.3654 115.3649 57.3229 31.4312 177.1311 72 N 4.7862 7.7104 116.0925 51.9895 39.3824 175.1691 73 R 4.1845 7.0576 118.0372 55.8602 30.3648 176.2901 74 S 4.6862 8.2985 114.1487 57.3538 64.8294 172.6774 75 T 4.7445 8.0327 110.0186 60.1353 71.8687 173.0831 76 N 4.7110 8.4673 116.0186 53.3641 38.7512 176.9394 77 E 3.9413 8.2698 122.7760 59.1495 29.4049 179.0216 78 W 4.3094 8.2006 116.3917 59.3555 28.1439 178.3662 79 K 3.1209 6.7107 119.1145 59.2239 31.2450 179.4597 80 T 3.7787 7.4962 115.4872 66.4236 68.4449 176.9056 81 V 3.5919 7.7305 120.1294 66.1166 31.6512 178.3180 82 V 3.8294 8.1495 118.2704 65.9737 31.4206 178.2719 83 G 3.6026 8.4522 105.5595 47.5653 0.0000 175.6611 84 A 4.1347 8.4712 123.3710 54.8758 18.3897 179.3871 85 A 4.1361 8.5706 119.7570 55.9183 18.4984 179.7215 86 M 4.0492 8.1925 117.0530 58.5617 31.9496 178.8337 87 F 3.9976 8.3602 120.7365 61.3440 39.6106 177.2106 88 F 4.1155 8.6281 117.2375 60.0999 38.5170 177.9512 89 I 3.9916 8.0981 119.6114 64.0046 37.2681 178.2586 90 G 3.5989 8.4156 107.0986 47.7243 0.0000 175.4104 91 F 3.9077 8.0116 123.6855 61.3245 39.3675 177.2148 92 T 3.7242 8.1383 115.0768 66.5994 68.1349 176.3054 93 A 4.0127 7.7912 122.2801 54.8602 18.2589 179.7003 94 L 3.8429 7.4918 117.9268 57.7795 41.6249 179.5152 95 L 3.8615 7.2955 118.5272 57.7180 41.5820 179.3538 96 L 4.0947 7.6905 118.4643 57.3668 41.6838 179.5136 97 I 3.6685 7.9726 120.1827 64.0950 37.0720 178.0892 98 W 4.1000 8.3566 129.2118 60.5983 30.4623 177.5240 99 E 3.9700 8.5877 119.2127 59.2085 28.8038 178.7404 100 K 3.8809 7.8561 118.7795 59.2168 32.2665 177.8425 101 H 4.1559 7.5028 117.2991 58.1995 30.0382 175.8840 102 Y 4.2504 7.4826 116.4163 57.7714 38.7374 176.5708 103 V 4.0294 7.2684 118.0265 64.3752 32.9056 175.7867 104 Y 4.5668 7.6351 116.6525 57.8825 38.1899 176.2483 105 G 3.9803 8.4117 114.3193 43.4665 0.0000 171.1196 106 P 4.2716 0.0000 0.0000 62.5462 31.6106 176.2282 107 I 4.0069 7.8350 114.2317 59.1834 39.0589 173.5722 108 P 4.4550 0.0000 0.0000 62.5958 31.7670 177.5460 109 H 4.3466 8.4827 115.4404 57.9799 28.7384 177.0820 110 T 2.5651 7.0082 108.9000 62.5677 68.7437 174.8095 111 F 4.5480 7.7580 120.2865 57.5689 39.5736 176.5390 112 E 4.2391 8.0653 121.9358 56.1167 31.2258 177.4383 113 E 4.0187 8.7833 122.2885 59.5356 29.8356 178.9966 114 E 3.9924 8.2150 118.9736 58.7831 29.7378 178.2109 115 W 3.9135 8.3116 128.0676 60.4882 30.8224 177.8048 116 V 3.6606 8.2021 117.8557 66.0515 30.9581 177.7165 117 A 4.0292 8.0956 120.3656 55.2602 18.2325 179.8020 118 K 3.7886 8.0283 116.9042 59.4747 31.9765 179.4836 119 Q 3.7930 8.1964 120.1875 59.2511 28.9267 178.2009 120 T 3.9140 8.3700 117.1394 66.5464 68.4767 176.0556 121 K 3.4994 7.7875 121.4531 59.7960 32.0182 178.5035 122 R 3.8013 7.9299 118.4752 59.7298 29.9189 178.3852 123 M 4.0189 8.2634 118.6568 58.2988 31.9559 178.6814 124 L 4.2042 8.1986 119.3500 57.9432 41.4472 179.3244 125 D 4.5157 8.1820 118.7083 56.8961 40.8879 177.6394 126 M 4.2922 8.1402 115.1308 54.2383 32.2342 176.0152 127 K 4.0657 7.9140 117.1229 56.4243 30.3018 176.4489 128 V 3.4816 8.4086 118.6606 64.6571 32.4285 174.5725 129 A 3.6333 8.6048 126.4223 52.9310 15.2294 174.7361 130 P 4.7292 0.0000 0.0000 62.7581 32.9838 178.3463 131 I 4.1296 7.8444 119.7228 63.7978 37.6252 176.4749 132 Q 4.5349 7.9534 113.4637 57.0573 33.4806 176.6438 133 G 3.8076 8.3948 105.8417 48.1857 0.0000 173.1224 134 F 4.7242 8.3830 121.6750 59.2957 42.9448 176.4796 135 S 4.3282 9.5413 117.2850 61.1770 63.1050 176.7296 136 A 4.1782 8.2598 122.1493 54.4606 18.3502 177.9592 137 K 4.4886 8.5401 114.6632 56.0536 32.6107 175.6996 138 W 4.7493 8.1693 129.7095 55.4619 32.2616 174.8866 139 D 4.5737 7.6709 124.9810 52.7469 40.6802 176.5227 140 Y 4.1421 8.4508 124.9419 60.0964 38.6139 177.2275 141 D 4.4727 8.3518 119.1654 56.9946 41.1255 177.4627 142 K 4.0689 8.1187 114.9237 55.5977 32.7544 175.8612 143 N 3.8191 7.5872 116.9697 53.5427 37.7190 172.0510 144 E 3.5774 5.9000 113.3988 54.0990 33.8007 174.9253 145 W 4.5087 7.9896 120.0860 56.2939 29.6588 176.7880 146 K 3.9162 8.7795 124.3263 56.7150 32.3548 177.3304 147 K 4.1530 8.5113 121.9439 56.8100 32.1070 176.9565 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 4 S 8.33 4.26 0.00 3.81 3.86 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 5 V 7.45 3.70 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.92 0.00 0.00 6 V 8.98 4.20 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 0.91 0.00 0.00 1.03 0.00 0.00 7 K 8.15 4.74 0.00 1.81 1.79 0.00 1.98 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.41 7.81 8 S 8.72 4.25 0.00 3.92 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 9 E 8.05 4.25 0.00 2.05 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 2.26 2.26 0.00 10 D 8.09 4.62 0.00 2.96 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 11 Y 7.52 4.10 0.00 3.01 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 A 7.03 4.24 1.03 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 0.00 0.00 13 L 7.47 4.74 0.00 1.81 1.56 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.38 0.00 2.07 2.03 0.00 3.62 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 2.05 2.10 0.00 15 S 8.20 4.82 0.00 3.97 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 16 Y 8.36 4.35 0.00 3.05 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 17 V 6.40 4.27 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 0.62 0.00 0.00 0.85 0.00 0.00 18 D 8.54 4.69 0.00 2.69 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 19 R 7.94 4.53 0.00 1.83 1.96 0.00 3.08 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 20 R 8.65 3.22 0.00 1.77 2.04 0.00 3.18 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.48 0.00 21 D 7.92 4.73 0.00 2.84 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 22 Y 8.15 4.83 0.00 2.90 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 23 P 0.00 4.57 0.00 2.29 2.42 0.00 3.75 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 24 L 6.67 4.71 0.00 1.55 1.66 0.94 1.22 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 25 P 0.00 4.65 0.00 2.04 1.72 0.00 3.85 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.08 0.00 26 D 8.65 4.60 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 27 V 7.12 4.55 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 0.73 0.00 0.00 1.06 0.00 0.00 28 A 8.33 4.21 1.14 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 0.00 0.00 29 H 8.60 3.68 0.00 2.13 3.18 0.00 5.90 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.03 4.18 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 0.81 0.00 0.00 0.62 0.00 0.00 31 K 8.50 4.35 0.00 1.84 1.85 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.40 7.81 32 N 7.89 4.67 0.00 2.70 2.75 0.00 0.00 6.70 7.85 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 33 L 8.10 4.73 0.00 1.56 1.51 0.90 0.86 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 34 S 8.31 4.46 0.00 4.04 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 35 A 8.45 3.99 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 36 S 8.00 4.15 0.00 4.06 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 0.00 37 Q 8.06 3.97 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 38 K 8.53 3.93 0.00 1.93 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.67 7.81 39 A 7.96 4.03 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 40 L 8.28 3.90 0.00 1.83 1.87 0.98 0.56 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 41 K 8.06 4.11 0.00 1.89 1.87 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.66 1.61 7.81 42 E 7.96 4.15 0.00 2.16 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 2.51 2.46 0.00 43 K 8.35 3.95 0.00 1.99 1.97 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.49 7.81 44 E 8.01 4.32 0.00 2.14 2.24 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 2.59 2.43 0.00 45 K 8.17 4.26 0.00 1.80 1.88 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.20 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.74 7.81 46 A 7.41 4.49 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 47 S 8.45 3.90 0.00 3.82 3.79 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 48 W 8.47 4.66 0.00 3.55 3.08 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 49 S 7.84 4.29 0.00 3.85 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.02 4.49 0.00 4.07 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 51 L 7.56 4.38 0.00 2.00 1.64 1.00 0.88 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 S 9.49 4.52 0.00 4.01 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 53 I 8.19 3.67 1.87 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 1.64 0.93 0.90 0.00 0.00 54 D 8.11 4.38 0.00 2.72 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 55 E 8.49 3.98 0.00 2.24 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 2.34 2.37 0.00 56 K 8.40 3.89 0.00 1.94 1.83 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.40 1.61 7.81 57 V 8.13 3.62 2.24 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 1.12 0.00 0.00 0.91 0.00 0.00 58 E 8.32 3.96 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 2.30 2.35 0.00 59 L 8.25 3.95 0.00 1.81 1.62 0.84 0.99 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 60 Y 8.25 4.03 0.00 3.17 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 61 R 8.23 4.38 0.00 1.88 2.05 0.00 3.47 0.00 0.00 3.40 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.77 0.00 62 L 7.50 4.12 0.00 1.68 1.60 0.88 0.72 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 63 K 7.58 3.67 0.00 1.37 1.08 0.00 1.03 0.00 0.00 1.26 0.00 0.00 2.78 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.49 0.21 7.81 64 F 7.34 5.20 0.00 2.68 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 65 K 9.06 3.75 0.00 0.91 1.97 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.23 7.81 66 E 8.42 4.97 0.00 2.24 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.25 0.00 67 S 9.29 5.18 0.00 4.01 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 68 F 8.95 4.02 0.00 2.97 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 69 A 8.14 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 70 E 8.07 4.10 0.00 2.19 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 2.36 2.35 0.00 71 M 8.37 4.33 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 72 N 7.71 4.79 0.00 2.86 2.89 0.00 0.00 7.01 7.82 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 73 R 7.06 4.18 0.00 1.89 2.09 0.00 3.07 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.58 0.00 74 S 8.30 4.69 0.00 4.05 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 75 T 8.03 4.74 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 1.24 0.00 0.00 76 N 8.47 4.71 0.00 2.70 2.66 0.00 0.00 6.42 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 77 E 8.27 3.94 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 78 W 8.20 4.31 0.00 3.68 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 79 K 6.71 3.12 0.00 1.43 1.39 0.00 1.28 0.00 0.00 1.29 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.30 0.21 7.81 80 T 7.50 3.78 4.31 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 1.18 0.00 0.00 81 V 7.73 3.59 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.98 0.00 0.00 82 V 8.15 3.83 2.24 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 1.10 0.00 0.00 1.22 0.00 0.00 83 G 8.45 3.60 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 0.00 0.00 0.00 84 A 8.47 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.57 4.14 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 86 M 8.19 4.05 0.00 2.16 2.39 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 2.88 2.62 0.00 87 F 8.36 4.00 0.00 3.18 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 88 F 8.63 4.12 0.00 3.41 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 89 I 8.10 3.99 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.68 0.93 0.00 0.00 90 G 8.42 3.60 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 0.00 0.00 0.00 91 F 8.01 3.91 0.00 2.55 3.02 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 0.00 0.00 0.00 92 T 8.14 3.72 4.37 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 1.20 0.00 0.00 93 A 7.79 4.01 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 94 L 7.49 3.84 0.00 1.37 1.53 0.88 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.30 3.86 0.00 1.69 1.60 0.89 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.69 4.09 0.00 1.85 1.70 0.91 0.68 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 97 I 7.97 3.67 2.02 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 1.38 1.07 0.88 0.00 0.00 98 W 8.36 4.10 0.00 3.52 3.38 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 99 E 8.59 3.97 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 1.47 1.93 0.00 100 K 7.86 3.88 0.00 1.81 1.94 0.00 1.88 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.46 7.81 101 H 7.50 4.16 0.00 2.94 2.73 0.00 5.98 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 0.00 102 Y 7.48 4.25 0.00 1.52 2.19 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 0.00 103 V 7.27 4.03 1.94 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 0.81 0.00 0.00 0.87 0.00 0.00 104 Y 7.64 4.57 0.00 3.06 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 0.00 105 G 8.41 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 0.00 0.00 0.00 106 P 0.00 4.27 0.00 2.16 2.04 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 107 I 7.83 4.01 1.57 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.55 0.60 0.00 0.00 108 P 0.00 4.45 0.00 2.26 1.96 0.00 3.77 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 2.21 2.07 0.00 109 H 8.48 4.35 0.00 3.53 3.45 0.00 5.65 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 7.01 2.57 3.45 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 0.04 0.00 0.00 111 F 7.76 4.55 0.00 2.98 3.08 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 0.00 112 E 8.07 4.24 0.00 2.26 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 113 E 8.78 4.02 0.00 2.09 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 2.43 2.43 0.00 114 E 8.22 3.99 0.00 2.12 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 2.39 2.37 0.00 115 W 8.31 3.91 0.00 3.60 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 0.00 116 V 8.20 3.66 2.32 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 0.93 0.00 0.00 1.15 0.00 0.00 117 A 8.10 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 0.00 118 K 8.03 3.79 0.00 1.55 1.54 0.00 1.44 0.00 0.00 1.34 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.50 7.81 119 Q 8.20 3.79 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 120 T 8.37 3.91 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 1.46 0.00 0.00 121 K 7.79 3.50 0.00 1.66 1.82 0.00 1.53 0.00 0.00 1.48 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.27 7.81 122 R 7.93 3.80 0.00 1.81 1.96 0.00 3.06 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 123 M 8.26 4.02 0.00 1.85 2.17 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.40 0.00 124 L 8.20 4.20 0.00 1.50 1.21 -0.92 0.74 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 0.00 125 D 8.18 4.52 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 0.00 126 M 8.14 4.29 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.79 0.00 127 K 7.91 4.07 0.00 1.97 1.94 0.00 1.51 0.00 0.00 1.12 0.00 0.00 2.58 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.52 1.26 7.81 128 V 8.41 3.48 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.88 0.00 0.00 129 A 8.60 3.63 1.50 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 0.00 130 P 0.00 4.73 0.00 2.22 2.37 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 131 I 7.84 4.13 1.91 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 1.44 0.46 0.94 0.00 0.00 132 Q 7.95 4.53 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 133 G 8.39 3.81 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 0.00 0.00 0.00 134 F 8.38 4.72 0.00 3.15 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 0.00 135 S 9.54 4.33 0.00 4.17 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.26 4.18 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 0.00 137 K 8.54 4.49 0.00 2.05 1.94 0.00 1.62 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.43 7.81 138 W 8.17 4.75 0.00 2.76 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 0.00 139 D 7.67 4.57 0.00 2.40 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 0.00 0.00 0.00 140 Y 8.45 4.14 0.00 3.05 3.06 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 0.00 0.00 0.00 141 D 8.35 4.47 0.00 2.79 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 K 8.12 4.07 0.00 1.52 1.68 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.26 7.81 143 N 7.59 3.82 0.00 2.79 2.73 0.00 0.00 6.91 7.32 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 0.00 144 E 5.90 3.58 0.00 1.72 1.66 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 0.00 1.86 1.98 0.00 145 W 7.99 4.51 0.00 3.22 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 0.00 146 K 8.78 3.92 0.00 1.76 1.77 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.42 7.81 147 K 8.51 4.15 0.00 1.73 1.71 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.41 7.81