NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6731 8.1633 120.6110 55.4458 34.3085 173.8239 2 I 4.6389 8.5451 125.6894 58.7685 40.9714 172.9357 3 A 4.6899 8.9335 128.7414 49.9607 21.8980 174.5154 4 L 4.5531 8.5053 126.0049 54.6286 43.3898 175.3590 5 I 5.0151 8.7920 121.0411 59.2723 40.5059 174.5650 6 Q 5.0228 8.7404 123.2926 53.9736 32.3594 174.5767 7 R 4.4816 8.7441 124.9969 56.2838 31.2322 175.6485 8 V 5.6932 9.3338 119.3954 58.7664 35.4511 176.4268 9 S 4.6628 8.6791 116.3871 59.7652 64.3086 173.9455 10 Q 4.9562 8.0760 115.4003 56.5823 30.9522 172.6033 11 A 5.1517 8.4571 120.9980 51.5296 23.3177 175.2543 12 K 4.9793 9.2346 117.9606 55.8396 36.8809 174.8185 13 V 4.7884 8.9930 121.4835 61.3358 34.2130 173.8869 14 D 5.4730 9.0236 127.6435 52.5765 44.0354 175.5332 15 V 4.4567 8.6082 121.9472 61.1968 34.5822 175.7475 16 K 3.5622 9.7320 128.6712 57.6770 29.3942 176.3900 17 G 3.9711 8.4120 104.5653 45.5044 0.0000 173.2991 18 E 4.6410 7.8397 119.9560 54.3210 31.7347 175.5019 19 T 5.1658 8.8146 120.3756 63.3871 68.7214 174.1658 20 I 4.3717 8.5623 120.1939 60.7425 39.0131 175.9641 21 G 4.3082 7.8183 107.8178 45.6348 0.0000 172.5990 22 K 5.2935 8.5801 121.6413 55.7874 35.8017 174.5154 23 I 4.6749 8.9937 114.2984 58.8241 41.4551 175.7827 24 G 4.1981 9.0794 113.5367 44.6211 0.0000 175.5147 25 K 4.3235 8.8841 126.4676 55.3620 33.4134 176.3617 26 G 4.3613 7.6105 112.6581 46.4444 0.0000 171.0711 27 L 5.3473 8.3659 122.3027 52.8387 46.0876 175.5492 28 L 4.7314 8.8551 125.7985 54.2064 43.6530 175.3224 29 V 4.7008 9.2862 127.5651 61.2221 33.4684 174.1526 30 L 4.7578 8.7298 129.6919 53.8187 43.1609 175.6915 31 L 4.7479 8.9706 126.7508 53.0237 44.6587 174.9944 32 G 4.1153 8.9108 114.1617 44.3551 0.0000 171.7894 33 V 4.6864 7.9625 125.7019 61.4573 33.7495 174.7931 34 E 5.1235 9.5272 127.2523 54.2087 32.5972 175.7478 35 K 4.2541 8.7381 121.1566 57.9845 32.4709 178.0240 36 E 4.0428 8.9171 120.3719 56.4220 27.3087 174.8851 37 D 4.6310 7.5840 118.3040 54.3403 41.6947 175.1939 38 N 4.8372 8.1025 117.5496 51.0277 41.3258 175.3969 39 R 3.6502 8.3737 118.7419 59.2904 29.8390 178.8806 40 E 3.9918 8.0603 118.6416 59.2676 29.6644 178.9051 41 K 4.0457 8.0677 117.8980 59.1442 32.1770 179.0150 42 A 4.1997 8.1728 121.1628 55.4429 18.4228 179.1686 43 D 4.3873 8.6816 117.8177 57.6939 40.9472 179.2735 44 K 4.0023 8.1311 119.8751 59.4067 32.1157 178.6758 45 L 4.0466 8.5272 120.9146 57.9706 41.9494 178.7084 46 A 3.8473 8.7372 121.3092 55.1011 18.3951 179.1829 47 E 3.8492 8.2341 117.8474 59.1751 29.8108 178.9861 48 K 4.0158 8.0637 119.6931 59.5438 32.1050 178.9653 49 V 3.6564 7.8816 117.3573 66.1670 31.6036 177.8476 50 L 4.2192 8.4740 118.7139 56.7105 41.1892 178.0406 51 N 4.9543 7.7181 113.0496 52.6594 40.0650 174.1572 52 Y 3.9114 7.9776 121.0876 57.4607 39.2937 175.4903 53 R 4.2841 7.5339 126.0647 55.7546 29.1240 175.7654 54 I 4.6600 8.1947 120.7038 59.7605 40.0796 174.9429 55 F 4.7916 8.4008 118.9696 55.9021 40.9302 175.2136 56 S 4.8309 8.5923 119.7968 58.4875 63.6788 174.5307 57 D 4.8172 8.5070 124.5134 52.1387 41.4402 176.6012 58 E 4.1887 8.7583 116.0861 58.5013 29.3886 176.7110 59 N 4.8298 8.7621 115.9749 52.8482 39.6876 174.1435 60 D 4.6085 8.3395 116.2470 54.6663 40.5019 173.5135 61 K 4.4944 7.9055 116.3908 54.8584 33.4999 176.2645 62 M 5.1292 8.3641 123.0431 54.9263 30.1628 174.7895 63 N 4.9388 8.2765 118.1099 52.0268 41.6783 174.6438 64 L 4.9018 8.0674 118.6852 53.0536 43.9583 175.8626 65 N 5.9046 9.0571 121.7515 50.9825 40.4942 176.6461 66 V 3.2402 7.8412 120.4345 64.6622 31.1850 178.6551 67 Q 3.8794 8.0770 118.5178 59.0844 28.5311 178.3093 68 Q 3.9997 8.5269 117.8426 58.5772 28.8188 177.9058 69 A 4.0253 7.7153 119.1289 51.5802 19.0041 176.8369 70 Q 3.3209 7.7396 115.3820 57.0756 26.6867 172.9002 71 G 4.1956 7.7139 105.8516 44.6446 0.0000 172.8510 72 E 5.0973 8.7131 117.8332 54.5494 34.3792 174.9494 73 L 5.1740 8.3805 119.5837 52.9807 45.1118 175.7811 74 L 5.0973 9.0779 125.3347 53.6331 44.4335 174.9081 75 I 4.9342 8.8741 128.8069 59.8083 39.2743 175.1806 76 V 4.8799 8.8723 127.1450 60.7625 34.7178 174.5272 77 S 4.4087 8.6854 123.0362 58.5223 62.9386 173.3441 78 Q 4.3057 9.0148 128.1758 53.6497 30.6058 175.2727 79 F 4.0208 8.9536 126.5662 60.0036 39.1648 177.1464 80 T 4.4715 8.0491 108.7822 64.1018 68.5001 176.3631 81 L 4.3007 7.6209 121.4393 57.4081 41.6836 178.1279 82 A 4.4194 7.7352 118.1241 51.6926 19.0924 177.5153 83 A 3.9284 7.3079 120.6752 51.9620 19.2665 176.4987 84 D 4.7316 8.7601 120.8851 53.1120 42.2823 177.0419 85 T 4.3917 8.1716 114.5473 61.4084 69.6177 174.8384 86 Q 4.0544 8.6280 122.9249 58.7035 28.8219 176.8356 87 K 4.5159 7.7061 114.9524 55.2896 34.9382 178.2411 88 G 3.8623 8.4868 109.4477 45.7673 0.0000 174.2968 89 L 4.7396 8.5108 123.4206 53.9974 43.1453 175.8104 90 R 4.5947 7.7293 118.6939 53.3910 32.6066 173.4004 91 P 4.4378 0.0000 0.0000 62.6788 32.3154 175.3564 92 S 4.6878 8.0299 113.5955 56.6365 65.2233 174.0833 93 F 5.1398 8.2952 123.3430 56.9850 39.8000 177.7939 94 S 4.2323 8.4518 117.3248 60.9658 63.1207 174.9063 95 K 4.3692 8.0771 118.5458 56.2952 32.5139 176.3300 96 G 4.2622 7.9902 107.5061 46.1517 0.0000 173.9369 97 A 4.6673 8.6806 126.2038 51.0592 19.5677 177.6415 98 S 4.4321 8.7106 114.3315 57.6626 64.0208 173.5379 99 P 4.7507 0.0000 0.0000 66.3224 30.7732 178.5758 100 A 3.8958 7.9763 119.8608 54.9842 18.3673 179.2500 101 L 3.8875 7.8644 118.2022 58.1049 42.1684 178.9633 102 A 3.9462 8.4585 121.2273 55.1888 18.2648 179.1561 103 N 3.5383 8.0505 115.7229 56.2545 38.8003 176.6629 104 E 3.8949 7.9670 120.6593 59.5323 29.7664 178.9762 105 L 4.1851 8.2197 118.7706 57.3382 41.6265 178.9762 106 Y 4.1559 8.2112 120.0356 60.9569 38.8620 177.7299 107 E 3.6998 8.5999 119.7673 59.3362 29.4545 178.8647 108 Y 3.9851 8.3058 119.7882 60.5971 38.8304 177.6688 109 F 4.0107 8.7386 122.0103 61.2756 39.4052 177.0347 110 I 3.5041 7.7718 119.4148 64.3802 36.6634 178.1301 111 Q 3.7580 7.4550 118.9844 58.9933 28.8764 177.9168 112 K 3.8007 7.6368 120.9345 59.4062 32.1544 178.5836 113 C 3.8795 7.8395 114.8374 61.0924 29.3576 175.6645 114 A 4.4456 7.7097 123.4378 53.8995 17.9271 179.0218 115 E 3.9895 7.5081 116.3923 58.4486 29.5244 177.8237 116 K 4.4858 7.7460 115.4900 56.0282 34.4612 175.6302 117 L 4.5007 7.2222 119.1790 52.5084 45.1348 172.0419 118 P 4.6195 0.0000 0.0000 63.0829 32.2169 175.5163 119 V 4.9187 8.3055 116.0211 59.6923 35.6781 174.6137 120 S 5.0233 9.3143 118.8268 57.1030 67.2672 172.6836 121 T 5.1201 8.3039 110.2426 60.5529 71.8834 173.8766 122 G 4.2764 8.6797 111.4561 45.9295 0.0000 172.8993 123 Q 4.8386 8.5375 122.8974 53.7699 32.0800 175.6172 124 F 3.8015 9.0463 126.7335 59.2709 40.2325 174.3626 125 A 3.3990 7.3759 128.0715 53.3013 16.0066 176.5602 126 A 4.7020 7.4215 120.4041 50.7822 22.4372 176.0443 127 D 4.4804 8.5612 120.4425 54.2112 41.8235 175.5210 128 M 5.0034 8.4275 125.4133 53.6405 35.6647 175.1941 129 Q 4.4087 8.9401 122.0866 54.5565 30.6209 175.1222 130 V 4.5679 8.3638 125.6133 61.6592 32.4708 174.9365 131 S 5.0078 8.7496 125.2573 57.1813 65.0167 173.5342 132 L 4.8580 8.1750 121.7234 55.3533 43.4584 174.4910 133 T 4.4744 8.5591 116.7032 61.7324 70.9718 173.1915 134 N 4.8298 8.7812 126.6622 53.1068 39.6233 174.1596 135 D 4.2693 9.9267 128.6437 55.7321 40.8248 175.8495 136 G 4.3184 8.5943 122.0093 45.5983 0.0000 170.2795 137 P 4.3951 0.0000 0.0000 61.3674 32.9461 175.8813 138 V 4.2405 7.8825 117.5528 61.5644 34.6307 174.0238 139 T 5.0560 7.9316 123.5846 61.9901 72.1763 173.2863 140 F 4.9897 9.0938 124.5673 55.3649 43.2073 174.0086 141 W 4.8402 9.1768 133.2034 56.3565 31.2215 175.0310 142 L 4.9225 8.3203 128.1070 53.3688 43.8965 175.4611 143 N 5.2214 8.3199 117.5083 52.3832 40.4040 174.6841 144 V 4.1478 8.3739 112.1631 61.7509 32.5703 175.4158 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 8.16 4.67 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.36 0.00 2 I 8.55 4.64 1.52 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 1.19 0.57 -0.36 0.00 0.00 3 A 8.93 4.69 1.05 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 0.00 0.00 4 L 8.51 4.55 0.00 1.21 1.32 1.10 0.90 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 5 I 8.79 5.02 1.93 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 1.50 0.86 0.92 0.00 0.00 6 Q 8.74 5.02 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.05 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 7 R 8.74 4.48 0.00 1.67 1.67 0.00 2.47 0.00 0.00 2.80 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.97 0.00 8 V 9.33 5.69 2.41 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 0.57 0.00 0.00 1.08 0.00 0.00 9 S 8.68 4.66 0.00 3.90 4.02 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 10 Q 8.08 4.96 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.10 0.00 11 A 8.46 5.15 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 12 K 9.23 4.98 0.00 1.86 1.88 0.00 1.39 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.40 7.81 13 V 8.99 4.79 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 0.86 0.00 0.00 0.97 0.00 0.00 14 D 9.02 5.47 0.00 2.62 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.61 4.46 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 0.98 0.00 0.00 0.99 0.00 0.00 16 K 9.73 3.56 0.00 1.92 1.85 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.41 7.81 17 G 8.41 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 0.00 0.00 0.00 18 E 7.84 4.64 0.00 2.15 1.84 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 2.22 2.24 0.00 19 T 8.81 5.17 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 1.25 0.00 0.00 20 I 8.56 4.37 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.66 0.93 0.00 0.00 21 G 7.82 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 0.00 0.00 0.00 0.00 22 K 8.58 5.29 0.00 1.81 1.76 0.00 1.56 0.00 0.00 1.77 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.45 7.81 23 I 8.99 4.67 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.71 0.98 0.00 0.00 24 G 9.08 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.88 4.32 0.00 1.83 1.69 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.64 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.50 1.59 7.81 26 G 7.61 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 0.00 0.00 0.00 0.00 27 L 8.37 5.35 0.00 1.67 1.62 1.10 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.86 4.73 0.00 1.80 1.56 1.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 29 V 9.29 4.70 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 1.08 0.00 0.00 1.04 0.00 0.00 30 L 8.73 4.76 0.00 1.64 1.49 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.97 4.75 0.00 1.52 1.44 -0.05 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.91 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.96 4.69 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 1.02 0.00 0.00 0.87 0.00 0.00 34 E 9.53 5.12 0.00 1.91 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 2.28 2.26 0.00 35 K 8.74 4.25 0.00 1.74 1.77 0.00 1.77 0.00 0.00 1.93 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.56 7.81 36 E 8.92 4.04 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 2.19 2.27 0.00 37 D 7.58 4.63 0.00 2.83 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 38 N 8.10 4.84 0.00 2.85 2.86 0.00 0.00 5.95 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 39 R 8.37 3.65 0.00 1.63 1.57 0.00 2.84 0.00 0.00 2.63 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.25 0.00 40 E 8.06 3.99 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 41 K 8.07 4.05 0.00 1.99 1.87 0.00 1.83 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.52 7.81 42 A 8.17 4.20 1.72 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 0.00 0.00 43 D 8.68 4.39 0.00 2.91 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 44 K 8.13 4.00 0.00 1.89 2.01 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.48 7.81 45 L 8.53 4.05 0.00 1.92 1.99 0.89 0.81 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 46 A 8.74 3.85 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.23 3.85 0.00 2.07 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 0.00 2.34 2.46 0.00 48 K 8.06 4.02 0.00 2.11 1.94 0.00 1.73 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.56 7.81 49 V 7.88 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 1.00 0.00 0.00 1.11 0.00 0.00 50 L 8.47 4.22 0.00 1.89 1.86 0.81 0.59 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 51 N 7.72 4.95 0.00 2.84 2.83 0.00 0.00 6.94 6.74 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 52 Y 7.98 3.91 0.00 3.27 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.53 4.28 0.00 1.46 1.93 0.00 3.30 0.00 0.00 2.93 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 54 I 8.19 4.66 2.10 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.18 0.91 0.00 0.00 55 F 8.40 4.79 0.00 3.33 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 56 S 8.59 4.83 0.00 3.94 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 57 D 8.51 4.82 0.00 2.93 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 58 E 8.76 4.19 0.00 2.10 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 2.29 2.34 0.00 59 N 8.76 4.83 0.00 2.75 2.83 0.00 0.00 6.95 7.99 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 60 D 8.34 4.61 0.00 2.84 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 61 K 7.91 4.49 0.00 2.13 1.75 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.42 7.81 62 M 8.36 5.13 0.00 2.01 2.04 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 2.67 2.67 0.00 63 N 8.28 4.94 0.00 2.92 2.81 0.00 0.00 7.12 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 64 L 8.07 4.90 0.00 2.01 1.63 0.95 0.43 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 65 N 9.06 5.90 0.00 3.23 3.12 0.00 0.00 6.63 7.25 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 66 V 7.84 3.24 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.90 0.00 0.00 67 Q 8.08 3.88 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 68 Q 8.53 4.00 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 69 A 7.72 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 7.74 3.32 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 71 G 7.71 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.71 5.10 0.00 1.91 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 2.19 2.23 0.00 73 L 8.38 5.17 0.00 1.59 1.59 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 74 L 9.08 5.10 0.00 1.74 1.56 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.87 4.93 1.96 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 1.31 0.84 1.14 0.00 0.00 76 V 8.87 4.88 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 1.02 0.00 0.00 0.99 0.00 0.00 77 S 8.69 4.41 0.00 3.00 3.31 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 78 Q 9.01 4.31 0.00 2.08 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 79 F 8.95 4.02 0.00 2.95 2.96 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 80 T 8.05 4.47 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 81 L 7.62 4.30 0.00 1.51 1.47 0.60 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.74 4.42 1.39 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 0.00 0.00 0.00 83 A 7.31 3.93 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 84 D 8.76 4.73 0.00 2.56 2.43 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 0.00 85 T 8.17 4.39 4.18 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 1.15 0.00 0.00 86 Q 8.63 4.05 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.41 6.70 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 87 K 7.71 4.52 0.00 1.69 1.67 0.00 1.85 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.37 7.81 88 G 8.49 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 0.00 0.00 0.00 89 L 8.51 4.74 0.00 1.59 1.62 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.73 4.59 0.00 1.71 1.75 0.00 3.25 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 91 P 0.00 4.44 0.00 1.69 1.93 0.00 3.78 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 2.10 2.06 0.00 92 S 8.03 4.69 0.00 3.76 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 93 F 8.30 5.14 0.00 3.14 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 94 S 8.45 4.23 0.00 4.01 4.03 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 95 K 8.08 4.37 0.00 1.90 1.92 0.00 1.71 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.45 7.81 96 G 7.99 4.26 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 0.00 97 A 8.68 4.67 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.71 4.43 0.00 3.96 4.06 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 99 P 0.00 4.75 0.00 2.44 2.45 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 100 A 7.98 3.90 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.86 3.89 0.00 1.78 1.70 0.93 1.02 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 0.00 102 A 8.46 3.95 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.05 3.54 0.00 1.44 2.37 0.00 0.00 6.88 7.77 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 0.00 104 E 7.97 3.89 0.00 2.07 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 0.00 2.28 2.34 0.00 105 L 8.22 4.19 0.00 1.76 1.78 0.95 0.85 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 0.00 106 Y 8.21 4.16 0.00 3.08 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 0.00 107 E 8.60 3.70 0.00 2.03 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 2.59 2.50 0.00 108 Y 8.31 3.99 0.00 3.10 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 0.00 109 F 8.74 4.01 0.00 3.22 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 0.00 110 I 7.77 3.50 1.87 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.33 0.78 0.00 0.00 111 Q 7.46 3.76 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.96 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 112 K 7.64 3.80 0.00 1.38 1.46 0.00 1.49 0.00 0.00 1.53 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.22 1.59 7.81 113 C 7.84 3.88 0.00 2.93 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 0.00 114 A 7.71 4.45 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 E 7.51 3.99 0.00 1.97 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 2.26 2.43 0.00 116 K 7.75 4.49 0.00 1.64 1.76 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.41 7.81 117 L 7.22 4.50 0.00 1.61 1.38 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 118 P 0.00 4.62 0.00 2.13 2.15 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.97 0.00 119 V 8.31 4.92 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 0.70 0.00 0.00 0.86 0.00 0.00 120 S 9.31 5.02 0.00 3.69 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.30 5.12 4.38 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 1.17 0.00 0.00 122 G 8.68 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 8.54 4.84 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.89 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 124 F 9.05 3.80 0.00 2.92 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 0.00 125 A 7.38 3.40 1.15 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 0.00 126 A 7.42 4.70 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 0.00 127 D 8.56 4.48 0.00 2.59 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 0.00 128 M 8.43 5.00 0.00 1.89 1.89 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.53 0.00 129 Q 8.94 4.41 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 130 V 8.36 4.57 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 0.86 0.00 0.00 0.94 0.00 0.00 131 S 8.75 5.01 0.00 3.82 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 0.00 132 L 8.17 4.86 0.00 1.62 1.61 0.97 0.62 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 0.00 133 T 8.56 4.47 4.26 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 1.22 0.00 0.00 134 N 8.78 4.83 0.00 2.73 2.73 0.00 0.00 7.12 8.47 0.00 0.00 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 D 9.93 4.27 0.00 2.72 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 0.00 136 G 8.59 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 0.00 0.00 0.00 137 P 0.00 4.40 0.00 2.23 2.04 0.00 3.68 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 138 V 7.88 4.24 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.86 0.00 0.00 139 T 7.93 5.06 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 1.21 0.00 0.00 140 F 9.09 4.99 0.00 2.99 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 0.00 141 W 9.18 4.84 0.00 3.52 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 0.00 142 L 8.32 4.92 0.00 1.57 1.37 0.54 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 143 N 8.32 5.22 0.00 2.85 2.84 0.00 0.00 5.85 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 0.00 144 V 8.37 4.15 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 0.70 0.00 0.00 1.02 0.00 0.00