NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.3512 8.3049 120.3446 54.3635 33.1760 178.1428 3 L 3.9289 8.7487 117.4494 53.4895 41.6757 175.9956 4 T 4.1905 9.4136 117.2105 60.9442 71.9344 175.0924 5 A 3.9522 8.4617 123.0222 55.4642 18.4213 179.6052 6 E 3.8937 8.0710 117.2147 59.3801 29.7851 178.7636 7 E 3.9423 8.0398 118.6347 59.2198 29.5300 179.4487 8 K 3.8676 8.3974 118.7135 59.2952 32.0947 179.0863 9 A 3.9789 7.9793 120.8191 55.1730 18.2465 179.5165 10 A 3.9567 7.8281 118.7042 55.3117 18.4056 180.1007 11 V 3.5540 7.7104 116.6560 66.4508 31.1485 178.2802 12 T 3.9634 8.4767 115.5840 66.6750 68.1054 176.3966 13 A 3.9337 8.0208 121.2609 55.1722 18.6738 179.2155 14 F 4.2139 8.3018 118.7553 61.3063 39.5021 176.8897 15 W 4.4483 9.0701 128.5632 60.8189 30.1214 177.9195 16 G 3.6517 7.5775 104.2775 47.2752 0.0000 174.7811 17 K 4.1727 7.4635 118.1400 55.6195 32.6230 176.9172 18 V 3.4867 6.5989 120.8254 62.0154 31.9700 176.1632 19 K 4.2045 8.2855 127.1190 55.2197 32.4764 177.8233 20 V 3.6519 8.1283 119.6945 63.9152 31.3606 178.3582 21 D 4.3095 7.9621 118.9888 56.6429 39.5951 177.8924 22 E 3.8855 8.0828 119.4850 59.0074 29.5480 178.9527 23 V 3.6545 8.0396 120.1257 64.8764 31.5985 178.6040 24 G 3.6740 8.2113 105.7072 47.8439 0.0000 176.0942 25 G 3.6410 7.8880 108.6934 47.2372 0.0000 175.4860 26 E 3.9246 8.1413 121.1185 58.9226 29.6375 178.8389 27 A 3.9617 7.9679 120.9105 55.0600 18.5556 179.3883 28 L 3.9891 7.9965 119.1070 58.1361 42.1726 179.3934 29 G 3.5610 7.8765 105.2656 48.0033 0.0000 175.9814 30 R 3.9139 8.0706 120.6901 58.4185 30.0146 178.8382 31 L 4.0601 7.8774 120.3982 58.3386 41.8965 179.1619 32 L 4.0569 7.3280 118.2766 56.9832 41.5364 179.5518 33 V 3.6225 7.4045 117.3868 66.0407 31.6657 178.0797 34 V 3.5600 7.9958 117.3098 64.2421 32.5920 175.4771 35 Y 3.9408 7.4985 117.5903 54.1197 37.8595 173.8798 36 P 4.2734 0.0000 0.0000 65.2609 31.5570 177.5224 37 W 4.4849 8.4982 114.9338 59.8074 27.4991 178.0537 38 T 4.3269 7.5299 110.5464 64.6057 68.1953 176.5616 39 Q 4.2675 8.4648 121.5922 58.8925 28.3996 178.5881 40 R 3.7957 7.5480 118.4679 59.4443 30.1025 178.3885 41 F 4.2624 8.1322 115.8275 58.4280 39.5881 175.9227 42 F 4.5268 8.1645 118.4763 56.6957 39.8610 177.4441 43 E 4.1060 8.2918 122.2943 59.3157 29.6388 179.3537 44 S 4.5397 8.0752 111.2614 59.7959 63.4701 174.8993 45 F 4.4628 8.3374 119.7418 58.5517 39.8543 175.7759 46 G 4.0808 7.4561 104.4649 43.9951 0.0000 174.2796 47 D 4.5299 8.6193 124.6552 54.2680 41.5721 175.9256 48 L 4.8473 8.3715 123.7209 54.3917 44.1304 177.1104 49 S 4.2638 8.5461 116.4448 61.0274 62.8546 174.8924 50 T 4.7012 7.4813 109.1291 58.2979 73.0860 174.2642 51 A 3.9922 8.4715 122.4760 55.7284 18.3857 179.7028 52 D 4.3014 8.0494 116.4070 57.2200 40.7254 178.5702 53 A 3.9766 7.6504 120.3703 55.2028 18.3783 179.5815 54 V 3.6769 8.5245 117.5955 66.6092 31.4912 178.2643 55 M 4.1260 8.3973 116.8687 57.3820 31.8408 177.3816 56 N 4.8327 7.6202 113.8188 51.8422 39.9222 175.1191 57 N 4.3813 7.4142 120.5423 53.2586 40.1949 173.6508 58 P 4.2808 0.0000 0.0000 65.5287 31.5568 178.9458 59 K 3.8046 8.0334 117.0509 58.8921 31.8522 179.3815 60 V 3.8253 8.1648 118.6868 66.0938 31.2694 178.0208 61 K 3.8749 8.0611 117.9096 59.6966 31.4290 179.2180 62 A 4.0182 8.1679 120.8262 55.3142 18.2835 179.2318 63 H 4.3999 8.6313 117.1461 59.2285 29.9496 177.5359 64 G 3.7919 8.4931 107.9943 47.8361 0.0000 175.3308 65 K 3.9498 7.8102 121.8561 59.2242 32.2336 178.8948 66 K 3.9817 7.7619 117.6091 59.4983 31.8917 179.4352 67 V 3.7399 7.9281 118.3730 66.2188 31.4290 178.1566 68 L 4.3979 8.3899 118.8134 57.8183 41.3874 179.1647 69 D 4.5392 8.6475 119.6306 57.4983 40.7402 178.9973 70 S 4.1303 8.1646 114.2784 61.3281 62.8862 176.5668 71 F 3.9099 8.2403 121.1181 60.6070 38.5370 177.6721 72 S 4.2521 8.6023 113.6766 61.7856 62.9507 176.1136 73 N 4.5623 8.4969 119.9214 56.6520 38.7184 177.2855 74 G 3.7291 8.2628 107.2095 47.9139 0.0000 175.5209 75 M 4.0776 7.9320 119.9565 57.5440 31.9365 178.1073 76 K 4.2032 7.6634 117.2615 57.3024 33.8287 176.4016 77 H 4.9893 7.8592 116.1156 54.6669 29.2308 174.7257 78 L 4.1532 7.7946 118.4129 57.0409 42.1845 178.6614 79 D 4.6060 7.9330 117.1858 55.6204 41.9510 176.3182 80 D 4.7725 7.8125 118.2100 51.8492 41.3399 175.3348 81 L 4.2632 7.8834 123.1086 56.8284 42.0540 178.4410 82 K 4.0302 8.1368 118.8662 59.5586 32.5645 178.5729 83 G 3.7123 8.1714 105.3028 48.2767 0.0000 175.7126 84 T 3.7497 7.5002 116.8298 65.4036 68.6594 175.6736 85 F 4.5818 8.2270 117.1821 56.9317 39.3441 177.1649 86 A 3.8664 7.6851 122.7883 55.3905 18.1427 180.3009 87 A 3.8901 7.8211 118.5185 55.3453 18.5038 179.7589 88 L 4.0413 7.8406 117.0598 57.7927 41.7519 179.4847 89 S 4.1085 8.5660 115.0338 60.6277 61.8369 175.8430 90 E 3.8033 7.9761 122.0675 59.0135 29.3137 178.4318 91 L 3.9128 7.8481 120.2667 58.7151 42.1547 178.7975 92 H 4.2297 8.4096 116.1845 59.5560 28.7758 176.7857 93 C 4.3954 8.1871 120.3524 61.1216 27.6488 175.5524 94 D 4.2898 7.7886 122.0927 57.2351 41.1121 178.2367 95 K 4.2393 7.8301 116.1297 58.4348 33.0291 178.0022 96 L 4.1545 8.0171 117.5258 56.0548 41.9475 176.9021 97 H 4.7183 8.0193 112.5622 56.6541 25.4550 175.2537 98 V 3.6405 8.3121 119.5874 61.8300 32.1603 175.0114 99 D 4.1168 8.5992 126.8899 53.8036 41.7950 175.1866 100 P 3.4884 0.0000 0.0000 65.3289 31.0991 178.2327 101 E 3.9071 8.5580 118.5475 59.1714 29.3900 178.5054 102 N 4.3828 8.0305 116.7924 55.8106 38.5288 177.3661 103 F 4.5007 7.3276 119.4146 60.4824 38.9011 177.8009 104 K 4.0746 8.0473 117.7458 59.3471 31.8816 179.2027 105 L 3.8429 7.6528 119.2410 57.6666 41.4115 179.3726 106 L 4.1088 8.0556 120.3882 57.9978 42.0495 179.0145 107 G 3.8414 8.1830 105.7336 48.2437 0.0000 175.3480 108 N 4.4546 8.4451 119.3803 55.9369 38.4463 177.7759 109 V 3.6861 8.1264 119.9363 65.6768 31.5921 177.8031 110 L 3.8560 8.2426 120.5467 58.0606 41.8448 179.1203 111 V 3.4931 7.7560 118.1059 66.0025 31.5256 177.9895 112 V 3.5709 7.6715 117.7392 66.2381 31.4282 178.2212 113 V 3.5673 8.0041 118.0030 65.8151 31.3300 178.0240 114 L 3.9537 8.0952 119.1400 57.4843 41.2778 179.3049 115 A 3.9766 7.6747 120.9000 55.1611 18.1343 179.7220 116 R 3.8423 7.8501 116.1424 59.2552 30.1763 177.8742 117 N 4.3015 7.7638 114.6572 54.3019 39.2386 176.3165 118 F 4.6256 8.3106 117.0984 55.2775 40.5683 177.2865 119 G 3.8616 8.7758 109.1507 45.8600 0.0000 176.9395 120 K 3.9790 9.0835 122.3617 59.6890 32.0724 177.8107 121 E 4.1835 8.2413 117.7640 58.3417 29.9653 177.4072 122 F 4.4592 8.0419 123.7508 56.7272 37.8620 175.6902 123 T 4.0455 7.1734 114.9923 60.7115 71.2151 173.3549 124 P 3.8864 0.0000 0.0000 65.7846 31.3358 179.2337 125 V 3.4702 7.5183 116.4125 65.8815 31.5812 177.7100 126 L 3.7692 7.4576 119.9571 58.0493 41.7879 178.5322 127 Q 3.4516 8.2283 120.1044 59.0354 28.3575 178.2562 128 A 3.9644 7.8050 121.6703 55.2973 18.4766 179.4075 129 D 4.2620 7.9143 117.3147 57.4852 40.8632 179.0270 130 F 3.9238 8.3887 118.3932 60.4635 38.8788 177.7773 131 Q 4.1493 8.4364 118.1472 58.7635 28.4064 178.8831 132 K 3.9913 7.7798 118.7764 59.2150 32.0883 179.4499 133 V 3.5311 7.5648 117.9994 66.2973 31.5227 178.5665 134 V 3.9547 8.1517 111.8423 64.3936 31.3614 178.5054 135 A 4.1840 8.2635 120.8257 54.8819 18.2179 179.9038 136 G 3.4579 8.1526 104.3496 47.9286 0.0000 176.0747 137 V 2.9687 8.1369 121.4020 65.3421 31.6170 177.8602 138 A 3.9405 8.4017 120.7660 55.2000 16.8351 179.3831 139 N 4.3159 8.1317 114.7141 56.5652 38.4561 177.5988 140 A 4.2018 7.6821 120.6731 54.8930 18.6778 179.3262 141 L 3.8403 7.7068 117.5225 56.9035 41.5584 178.2181 142 A 4.9565 7.5701 118.9835 52.4321 18.4927 178.0400 143 H 4.0394 7.6657 117.3946 60.7767 30.0059 176.9449 144 R 4.2092 7.8997 117.0535 57.9070 30.2535 177.1831 145 Y 4.4609 8.1334 115.6698 61.7940 38.4654 175.4089 146 H 4.5071 7.7464 119.5017 56.1062 28.7735 175.2062 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 2 M 8.30 4.35 0.00 1.96 1.35 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 3 L 8.75 3.93 0.00 1.70 1.57 0.79 0.55 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 4 T 9.41 4.19 4.22 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 1.23 0.00 0.00 5 A 8.46 3.95 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 6 E 8.07 3.89 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 7 E 8.04 3.94 0.00 2.30 1.90 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 2.50 2.31 0.00 8 K 8.40 3.87 0.00 1.75 1.82 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.54 7.81 9 A 7.98 3.98 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 10 A 7.83 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 11 V 7.71 3.55 1.55 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 0.80 0.00 0.00 0.27 0.00 0.00 12 T 8.48 3.96 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 13 A 8.02 3.93 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 14 F 8.30 4.21 0.00 3.29 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 15 W 9.07 4.45 0.00 3.86 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 16 G 7.58 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.46 4.17 0.00 1.25 1.74 0.00 1.40 0.00 0.00 1.30 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.29 7.81 18 V 6.60 3.49 0.74 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 0.07 0.00 0.00 0.05 0.00 0.00 19 K 8.29 4.20 0.00 1.98 1.88 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.50 7.81 20 V 8.13 3.65 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 0.85 0.00 0.00 1.01 0.00 0.00 21 D 7.96 4.31 0.00 2.93 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 22 E 8.08 3.89 0.00 2.15 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 0.00 2.40 2.35 0.00 23 V 8.04 3.65 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.89 0.00 0.00 24 G 8.21 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 25 G 7.89 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 26 E 8.14 3.92 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 27 A 7.97 3.96 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 28 L 8.00 3.99 0.00 1.94 1.66 0.78 0.94 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 G 7.88 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 0.00 0.00 0.00 30 R 8.07 3.91 0.00 1.85 1.92 0.00 3.10 0.00 0.00 3.05 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 31 L 7.88 4.06 0.00 1.83 1.86 1.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.33 4.06 0.00 1.71 1.61 0.55 0.80 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 33 V 7.40 3.62 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 0.71 0.00 0.00 0.89 0.00 0.00 34 V 8.00 3.56 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 -0.08 0.00 0.00 0.76 0.00 0.00 35 Y 7.50 3.94 0.00 2.48 1.43 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 36 P 0.00 4.27 0.00 2.26 2.13 0.00 3.58 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 2.15 2.10 0.00 37 W 8.50 4.48 0.00 3.61 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 38 T 7.53 4.33 4.40 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 0.97 0.00 0.00 39 Q 8.46 4.27 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 40 R 7.55 3.80 0.00 1.57 1.53 0.00 3.14 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 41 F 8.13 4.26 0.00 2.84 2.62 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 42 F 8.16 4.53 0.00 2.86 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 0.00 0.00 0.00 43 E 8.29 4.11 0.00 2.03 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 2.48 0.00 44 S 8.08 4.54 0.00 4.15 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.34 4.46 0.00 3.27 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 46 G 7.46 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.62 4.53 0.00 2.65 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 48 L 8.37 4.85 0.00 1.64 1.59 1.05 0.97 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 49 S 8.55 4.26 0.00 4.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.48 4.70 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 1.21 0.00 0.00 51 A 8.47 3.99 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 52 D 8.05 4.30 0.00 2.69 2.71 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 53 A 7.65 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.52 3.68 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 1.03 0.00 0.00 1.00 0.00 0.00 55 M 8.40 4.13 0.00 1.95 2.09 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 2.60 2.94 0.00 56 N 7.62 4.83 0.00 2.83 2.83 0.00 0.00 6.93 7.33 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 57 N 7.41 4.38 0.00 2.99 2.87 0.00 0.00 7.13 7.37 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 58 P 0.00 4.28 0.00 2.15 2.05 0.00 3.63 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 59 K 8.03 3.80 0.00 1.51 0.84 0.00 1.68 0.00 0.00 1.34 0.00 0.00 2.72 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.35 7.81 60 V 8.16 3.83 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.09 0.00 0.00 61 K 8.06 3.87 0.00 2.00 1.86 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.78 7.81 62 A 8.17 4.02 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 63 H 8.63 4.40 0.00 3.72 3.76 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.49 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 0.00 0.00 0.00 65 K 7.81 3.95 0.00 1.90 1.86 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.65 7.81 66 K 7.76 3.98 0.00 2.08 1.88 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.68 7.81 67 V 7.93 3.74 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 1.27 0.00 0.00 1.08 0.00 0.00 68 L 8.39 4.40 0.00 2.00 1.87 1.22 1.13 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 69 D 8.65 4.54 0.00 2.95 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 70 S 8.16 4.13 0.00 4.05 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 0.00 71 F 8.24 3.91 0.00 3.39 3.25 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 72 S 8.60 4.25 0.00 4.25 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 0.00 73 N 8.50 4.56 0.00 2.82 2.81 0.00 0.00 7.09 7.43 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 74 G 8.26 3.73 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 0.00 0.00 0.00 75 M 7.93 4.08 0.00 1.74 2.03 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 2.60 0.00 76 K 7.66 4.20 0.00 1.77 1.48 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.46 7.81 77 H 7.86 4.99 0.00 3.10 3.15 0.00 5.62 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 78 L 7.79 4.15 0.00 1.59 1.69 0.86 1.05 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 79 D 7.93 4.61 0.00 2.66 2.71 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 80 D 7.81 4.77 0.00 2.70 2.47 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 81 L 7.88 4.26 0.00 1.76 1.82 0.88 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.14 4.03 0.00 1.75 1.86 0.00 1.75 0.00 0.00 1.53 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.53 7.81 83 G 8.17 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 84 T 7.50 3.75 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 0.63 0.00 0.00 85 F 8.23 4.58 0.00 3.03 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 86 A 7.69 3.87 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 87 A 7.82 3.89 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 88 L 7.84 4.04 0.00 1.96 1.83 1.06 0.89 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 89 S 8.57 4.11 0.00 3.91 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 90 E 7.98 3.80 0.00 2.17 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 2.45 2.41 0.00 91 L 7.85 3.91 0.00 1.78 1.75 0.87 0.93 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 92 H 8.41 4.23 0.00 3.31 3.65 0.00 5.86 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 8.19 4.40 0.00 2.63 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 7.79 4.29 0.00 2.89 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 95 K 7.83 4.24 0.00 1.90 1.82 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.35 1.39 7.81 96 L 8.02 4.15 0.00 1.84 1.78 0.78 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 97 H 8.02 4.72 0.00 3.49 3.57 0.00 5.75 0.00 0.00 0.00 0.00 8.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.31 3.64 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 0.16 0.00 0.00 0.81 0.00 0.00 99 D 8.60 4.12 0.00 2.62 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 0.00 0.00 0.00 0.00 100 P 0.00 3.49 0.00 2.15 2.33 0.00 3.21 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.64 0.00 101 E 8.56 3.91 0.00 2.05 1.86 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 2.24 2.35 0.00 102 N 8.03 4.38 0.00 2.59 2.76 0.00 0.00 6.89 8.73 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 0.00 103 F 7.33 4.50 0.00 3.17 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 0.00 104 K 8.05 4.07 0.00 2.04 1.87 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.58 7.81 105 L 7.65 3.84 0.00 1.59 1.13 0.77 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.06 4.11 0.00 1.88 1.80 1.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.18 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 0.00 108 N 8.45 4.45 0.00 3.05 2.96 0.00 0.00 6.73 7.33 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 0.00 109 V 8.13 3.69 2.28 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 1.14 0.00 0.00 1.18 0.00 0.00 110 L 8.24 3.86 0.00 1.90 1.80 0.30 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.76 3.49 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 1.33 0.00 0.00 1.14 0.00 0.00 112 V 7.67 3.57 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 0.94 0.00 0.00 1.06 0.00 0.00 113 V 8.00 3.57 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 1.01 0.00 0.00 0.95 0.00 0.00 114 L 8.10 3.95 0.00 0.83 0.59 0.31 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.67 3.98 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 0.00 116 R 7.85 3.84 0.00 1.92 1.89 0.00 3.21 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 117 N 7.76 4.30 0.00 2.59 2.07 0.00 0.00 6.89 7.28 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 0.00 118 F 8.31 4.63 0.00 3.43 3.39 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 0.00 119 G 8.78 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 0.00 120 K 9.08 3.98 0.00 1.92 2.03 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.56 7.81 121 E 8.24 4.18 0.00 2.53 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 0.00 2.50 2.39 0.00 122 F 8.04 4.46 0.00 3.07 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 0.00 123 T 7.17 4.05 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 1.27 0.00 0.00 124 P 0.00 3.89 0.00 2.13 2.12 0.00 3.54 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 125 V 7.52 3.47 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 0.98 0.00 0.00 0.89 0.00 0.00 126 L 7.46 3.77 0.00 1.57 1.20 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.23 3.45 0.00 1.57 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 128 A 7.81 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 D 7.91 4.26 0.00 2.69 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 F 8.39 3.92 0.00 3.40 3.33 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 0.00 131 Q 8.44 4.15 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.74 2.59 0.00 132 K 7.78 3.99 0.00 1.94 1.82 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.54 7.81 133 V 7.56 3.53 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 0.97 0.00 0.00 0.65 0.00 0.00 134 V 8.15 3.95 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 1.03 0.00 0.00 1.12 0.00 0.00 135 A 8.26 4.18 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 0.00 136 G 8.15 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.14 2.97 1.79 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 -0.09 0.00 0.00 0.48 0.00 0.00 138 A 8.40 3.94 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 0.00 139 N 8.13 4.32 0.00 3.00 2.87 0.00 0.00 6.88 7.60 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 0.00 140 A 7.68 4.20 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 0.00 141 L 7.71 3.84 0.00 1.31 0.44 0.15 0.59 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 0.00 142 A 7.57 4.96 1.60 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 0.00 143 H 7.67 4.04 0.00 3.21 3.36 0.00 5.61 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.90 4.21 0.00 1.67 1.72 0.00 3.63 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 145 Y 8.13 4.46 0.00 3.32 2.84 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 0.00 146 H 7.75 4.51 0.00 3.16 3.26 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00