NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1379 8.0549 114.0574 60.8642 33.0337 175.1537 2 L 3.9699 8.1440 122.7329 52.6114 42.3251 176.2937 3 S 4.5124 9.8211 118.7756 57.9488 66.2232 175.0799 4 E 4.4559 8.8785 122.1346 59.6526 29.1658 179.9095 5 G 3.6367 8.0970 105.4099 47.7929 0.0000 175.5221 6 E 3.9603 8.2955 120.9671 58.8044 29.3947 179.2916 7 W 4.3867 8.5526 119.3611 59.9556 29.1385 178.2310 8 Q 4.1081 8.9227 118.2981 59.2829 28.2262 179.4403 9 L 4.0455 7.9817 119.6066 57.7232 41.6265 179.5786 10 V 3.6886 7.9857 118.1515 66.3675 31.5258 178.1047 11 L 4.2658 8.4632 118.5206 57.4684 41.2861 178.7415 12 H 4.1542 8.2927 117.9791 59.3421 30.1933 177.1237 13 V 3.6807 7.8855 119.7590 65.8099 31.4743 177.6235 14 W 4.0157 8.5491 128.0099 60.5246 30.2594 177.6476 15 A 4.1193 8.0202 119.7268 54.8866 18.0220 179.2505 16 K 3.7791 7.6234 116.6133 59.8007 32.1538 179.4141 17 V 2.6476 7.0675 117.4836 65.7689 31.0052 177.5121 18 E 3.8820 7.3463 116.1015 58.3492 29.2762 178.6625 19 A 4.1996 7.5092 120.5212 53.9939 19.9109 177.6669 20 D 4.6474 7.8187 115.9956 52.5047 43.1960 175.6430 21 V 3.5313 7.9128 123.1728 65.5144 32.0283 176.8239 22 A 4.0989 7.9755 120.2392 55.0123 18.2568 179.6803 23 G 3.4740 8.5010 104.3538 48.2275 0.0000 175.7425 24 H 4.1150 8.3741 118.9353 58.3429 28.6190 178.1334 25 G 3.5243 8.4144 107.9649 47.7395 0.0000 175.0975 26 Q 3.8420 8.2239 122.7863 59.2915 28.9926 178.6876 27 D 4.2745 7.9572 119.4667 57.1849 40.7047 178.9790 28 I 3.6199 7.8812 120.5047 64.3344 37.0957 178.3231 29 L 3.3399 7.8255 119.9623 57.7493 41.3064 179.7717 30 I 3.5341 7.4736 119.5078 64.2782 36.9530 178.5214 31 R 3.7768 7.9560 119.5804 59.0530 29.8059 178.1998 32 L 3.9281 7.9146 120.3964 58.4493 41.9994 179.1589 33 F 4.5507 8.0523 117.8695 60.4413 38.5516 177.9426 34 K 4.0464 8.1649 117.6491 59.4484 32.0764 179.3503 35 S 4.2793 8.0526 114.5611 60.3260 64.0271 174.4079 36 H 4.6594 8.2009 118.5635 52.1788 28.8006 171.9690 37 P 4.5755 0.0000 0.0000 64.3099 31.0005 177.4552 38 E 4.1114 8.2547 116.5845 59.4261 29.3531 179.2152 39 T 3.7911 8.1253 111.4058 64.5896 68.8362 176.2690 40 L 3.4879 7.7099 122.4162 57.8532 41.7757 178.6047 41 E 3.9526 7.6184 117.7742 59.0267 29.5927 178.5399 42 K 4.4184 8.0196 117.0222 57.1860 32.7398 177.5172 43 F 4.5836 8.2919 119.4683 55.4233 39.0690 175.4130 44 D 4.4253 8.6791 124.3715 57.3634 40.9787 178.9367 45 R 3.7991 7.8874 117.8248 58.1669 30.2700 176.6397 46 F 5.0773 7.6005 113.7808 56.8076 40.8882 176.7086 47 K 4.0486 8.1600 119.8334 58.9576 32.4024 177.8470 48 H 4.3601 8.1361 114.5083 57.4188 28.8641 175.4201 49 L 4.1391 7.6723 121.8180 54.4938 41.7089 176.7572 50 K 4.5094 9.8327 123.2642 56.3792 34.2256 176.5709 51 T 4.7480 7.4686 108.3392 58.8998 73.2889 174.1663 52 E 3.9414 8.6966 121.4658 59.1938 29.6854 178.7464 53 A 4.0084 7.9572 120.5853 55.1779 18.2656 179.2838 54 E 3.9404 8.0488 115.9330 59.7288 29.8386 179.1663 55 M 4.1953 8.1085 118.6422 58.5337 31.8700 179.0979 56 K 3.9858 8.3392 117.2204 59.0927 32.2715 178.6766 57 A 4.3305 7.7999 119.1610 52.3018 18.6759 177.2022 58 S 4.3525 7.5605 113.9249 57.5506 62.8704 174.7620 59 E 4.0612 8.8563 128.3604 59.3829 29.2621 178.6818 60 D 4.4355 8.1428 117.9105 57.0806 41.3217 177.8480 61 L 3.5156 8.0959 121.1195 57.7869 41.9654 178.8419 62 K 3.8364 7.8246 119.4699 59.3163 32.0013 178.5050 63 K 3.9104 8.2509 119.9744 59.9983 32.0834 178.2328 64 H 4.4410 8.7305 118.6577 59.1704 29.7884 177.3340 65 G 3.6198 8.3548 107.8611 47.8750 0.0000 175.8192 66 V 3.6361 7.7048 120.0814 65.9742 31.6395 178.3023 67 T 3.8827 7.6733 115.5610 66.5022 68.3068 176.7893 68 V 3.6170 7.8524 120.0432 66.2397 31.6615 178.2065 69 L 4.2844 8.2010 118.5999 57.7286 41.4363 179.5586 70 T 3.9609 8.3274 116.1576 66.6510 68.3935 176.4413 71 A 4.0115 7.9517 122.1944 55.0388 18.3591 179.5085 72 L 3.7530 8.1815 119.1034 57.8949 42.1279 179.2154 73 G 3.2440 8.5443 105.9665 47.8043 0.0000 175.4567 74 A 3.9979 7.7221 122.1254 54.7245 18.6175 179.5710 75 I 3.7826 7.5254 118.3532 64.5608 37.2251 178.6789 76 L 3.9899 7.8956 120.1554 57.5110 41.1674 179.1740 77 K 4.1005 7.5937 116.1990 57.6218 32.3653 178.3687 78 K 4.0182 7.7855 118.6173 55.4188 32.8834 176.2698 79 K 2.0000 8.1215 118.3494 56.4171 29.7326 175.8167 80 G 3.9209 7.7919 105.8275 45.7160 0.0000 173.7074 81 H 4.6818 7.3438 119.4191 55.1165 27.3246 174.7557 82 H 5.3665 7.2459 111.1593 53.9620 29.9230 176.5787 83 E 3.9699 8.6885 121.7680 60.6911 29.0124 178.7894 84 A 4.1013 7.8932 118.6750 54.8997 18.7584 179.0618 85 E 4.1112 8.1058 116.8992 59.4597 29.6582 179.2437 86 L 4.0385 8.2706 119.2465 57.2120 41.7010 178.8862 87 K 3.8200 7.9992 120.0284 59.5087 31.9760 176.8475 88 P 4.3093 0.0000 0.0000 65.5989 31.2030 178.4064 89 L 4.0188 7.8800 118.3030 57.6881 41.6268 179.0350 90 A 4.0970 8.4203 121.1789 55.1248 18.2217 179.7413 91 Q 3.7720 8.1667 116.8060 59.1364 28.8423 179.2357 92 S 3.9607 8.3251 115.5951 61.7276 63.1507 176.1713 93 H 4.1716 8.6553 119.9415 58.2857 28.1461 177.7559 94 A 2.9080 7.8970 122.9717 54.7407 17.8833 179.3310 95 T 3.8359 7.2262 107.2303 61.4439 69.7256 175.5483 96 K 4.1682 7.4667 120.5989 58.3091 33.1299 176.8568 97 H 4.3830 8.3090 113.5456 55.7816 29.5872 175.3471 98 K 3.8462 7.5355 117.0997 56.1148 28.9678 175.3090 99 I 4.2338 8.2102 118.3250 58.8459 38.6434 175.1675 100 P 4.5133 0.0000 0.0000 62.0630 32.0454 177.7256 101 I 3.3819 8.1880 121.3100 64.1555 36.8377 178.5326 102 K 3.6461 7.8942 120.2684 59.7928 31.9428 178.2118 103 Y 4.1428 8.0832 116.8677 60.7657 37.7511 178.2586 104 L 4.1938 7.8903 120.3532 57.4376 41.6542 179.0260 105 E 3.9583 7.8854 119.0353 59.2792 29.6439 178.6270 106 F 4.5098 7.7655 117.8550 60.8778 38.9188 177.5757 107 I 3.8735 8.1691 118.0826 63.9435 37.7538 178.1017 108 S 4.2027 8.3441 116.4230 61.6635 62.6677 176.4651 109 E 4.1130 8.5858 121.1063 59.2184 29.1912 179.2819 110 A 4.0509 8.3705 121.1014 55.0513 18.4599 179.5920 111 I 3.6779 8.1067 118.6398 64.7831 37.2697 178.6531 112 I 3.8361 7.8766 120.4649 64.7542 37.0374 178.0398 113 H 4.2383 8.5017 119.1032 59.2765 29.7210 177.5676 114 V 3.6143 8.0113 120.1441 65.6615 31.3216 178.0658 115 L 3.7280 7.8620 118.8879 58.0758 41.1314 179.0864 116 H 4.3275 8.0000 114.6635 58.9546 28.6049 177.8794 117 S 4.2021 7.6695 115.8149 61.5717 62.9192 176.3265 118 R 4.1469 7.9953 117.9232 56.9398 30.8241 176.4798 119 H 4.9490 8.1604 117.4652 54.3326 29.7969 172.4429 120 P 4.7745 0.0000 0.0000 62.9712 31.2990 177.2511 121 G 4.2412 7.9400 105.9681 45.8428 0.0000 173.1678 122 D 5.0184 7.7204 119.7883 53.3872 42.9789 175.1136 123 F 4.1861 9.0856 111.9392 59.3619 37.5005 175.6295 124 G 3.8197 7.4476 109.1290 43.8192 0.0000 171.9002 125 A 3.8560 8.4516 121.8566 55.2380 18.1563 179.6890 126 D 4.1921 7.9429 116.6934 56.6386 39.5029 178.5816 127 A 3.9948 7.7775 121.9096 54.6457 18.4138 179.2140 128 Q 3.6927 7.9355 118.5213 59.0045 29.1066 178.5923 129 G 3.5713 8.2057 106.8040 47.9067 0.0000 175.5442 130 A 3.9072 7.9910 123.4815 54.7938 18.3526 179.3832 131 M 3.9599 8.4762 117.2556 58.8079 32.2967 177.9297 132 N 4.3250 8.4318 117.3294 56.6198 39.0150 176.9444 133 K 4.1496 8.2250 120.8900 58.8383 32.1284 179.1935 134 A 3.7626 8.0411 121.1503 55.1336 18.2524 179.7579 135 L 4.0838 8.1787 117.5801 57.7499 41.7216 179.5645 136 E 3.9913 8.6612 119.3092 59.2513 29.3784 179.0805 137 L 4.0937 8.1574 120.6357 57.9170 42.1690 178.5983 138 F 4.1806 8.4389 120.6659 61.6125 39.3023 177.3995 139 R 3.5368 8.2549 117.5618 58.8504 29.9389 178.7765 140 K 3.7897 8.4032 119.8586 59.9080 32.0801 178.5619 141 D 4.4023 8.0765 118.8750 57.2194 40.6681 178.8732 142 I 3.6873 7.5706 120.3152 64.1283 36.9086 178.2872 143 A 3.7404 8.2486 121.9134 54.9374 18.1868 179.5630 144 A 3.9387 7.8640 118.9560 55.1416 18.4175 180.0239 145 K 4.0309 7.7100 115.7030 59.4935 32.2501 178.8709 146 Y 4.1096 8.5752 117.6179 61.3210 37.8460 179.0024 147 K 4.3903 8.4469 121.7671 58.8325 32.0549 178.3597 148 E 3.9400 7.8568 118.3256 59.3619 29.7435 178.4120 149 L 4.3575 7.8690 115.8881 55.3166 41.7972 177.8696 150 G 3.8367 7.9673 107.2540 45.9838 0.0000 173.8341 151 Y 4.3787 8.6842 117.5586 57.2332 39.2860 175.0807 152 Q 4.5865 7.9334 121.7609 53.5450 31.1029 175.3515 153 G 4.1519 8.9644 112.9623 46.2611 0.0000 172.7886 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 V 8.05 4.14 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 0.93 0.00 0.00 0.99 0.00 0.00 2 L 8.14 3.97 0.00 0.68 0.68 0.52 -0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.82 4.51 0.00 4.02 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 4 E 8.88 4.46 0.00 2.07 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 2.50 2.38 0.00 5 G 8.10 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 6 E 8.30 3.96 0.00 2.00 1.73 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 2.22 2.26 0.00 7 W 8.55 4.39 0.00 3.48 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 8 Q 8.92 4.11 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.74 0.00 9 L 7.98 4.05 0.00 1.90 1.76 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.99 3.69 2.46 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 1.28 0.00 0.00 0.90 0.00 0.00 11 L 8.46 4.27 0.00 1.85 1.81 0.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.29 4.15 0.00 3.27 3.60 0.00 5.95 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 13 V 7.89 3.68 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 0.90 0.00 0.00 1.23 0.00 0.00 14 W 8.55 4.02 0.00 3.65 3.16 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 0.00 0.00 0.00 15 A 8.02 4.12 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 16 K 7.62 3.78 0.00 1.64 1.27 0.00 1.52 0.00 0.00 1.31 0.00 0.00 2.78 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.29 1.44 7.81 17 V 7.07 2.65 0.73 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 0.16 0.00 0.00 0.12 0.00 0.00 18 E 7.35 3.88 0.00 2.02 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 2.25 2.14 0.00 19 A 7.51 4.20 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 20 D 7.82 4.65 0.00 2.70 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.91 3.53 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 0.99 0.00 0.00 0.87 0.00 0.00 22 A 7.98 4.10 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 23 G 8.50 3.47 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 0.00 24 H 8.37 4.12 0.00 3.23 3.22 0.00 5.82 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 25 G 8.41 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.22 3.84 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 27 D 7.96 4.27 0.00 2.79 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 28 I 7.88 3.62 1.80 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 0.72 0.88 0.00 0.00 29 L 7.83 3.34 0.00 1.23 0.77 0.74 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.47 3.53 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.52 0.86 0.00 0.00 31 R 7.96 3.78 0.00 1.90 2.06 0.00 3.02 0.00 0.00 2.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 32 L 7.91 3.93 0.00 1.78 1.49 1.09 1.44 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 33 F 8.05 4.55 0.00 3.08 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 34 K 8.16 4.05 0.00 1.72 1.83 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.64 1.60 7.81 35 S 8.05 4.28 0.00 3.95 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 36 H 8.20 4.66 0.00 2.99 2.80 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.58 0.00 2.15 2.09 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 38 E 8.25 4.11 0.00 2.30 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 0.00 1.91 2.42 0.00 39 T 8.13 3.79 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 40 L 7.71 3.49 0.00 1.42 1.75 -0.22 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.62 3.95 0.00 1.85 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 2.38 2.45 0.00 42 K 8.02 4.42 0.00 1.99 1.75 0.00 2.03 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.74 1.96 7.81 43 F 8.29 4.58 0.00 3.24 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 44 D 8.68 4.43 0.00 2.63 2.74 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 45 R 7.89 3.80 0.00 1.46 1.15 0.00 2.96 0.00 0.00 2.84 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.22 0.00 46 F 7.60 5.08 0.00 2.86 2.74 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 47 K 8.16 4.05 0.00 1.88 2.23 0.00 1.63 0.00 0.00 1.78 0.00 0.00 3.20 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.40 7.81 48 H 8.14 4.36 0.00 3.31 3.47 0.00 5.52 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 49 L 7.67 4.14 0.00 1.62 1.60 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.83 4.51 0.00 1.72 1.81 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.48 7.81 51 T 7.47 4.75 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 1.21 0.00 0.00 52 E 8.70 3.94 0.00 2.04 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 2.35 2.35 0.00 53 A 7.96 4.01 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 54 E 8.05 3.94 0.00 2.13 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 2.36 2.36 0.00 55 M 8.11 4.20 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.63 0.00 56 K 8.34 3.99 0.00 1.89 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.41 7.81 57 A 7.80 4.33 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 58 S 7.56 4.35 0.00 3.95 3.90 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 59 E 8.86 4.06 0.00 2.05 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 2.41 2.32 0.00 60 D 8.14 4.44 0.00 2.91 2.93 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 61 L 8.10 3.52 0.00 1.53 1.66 -0.23 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.82 3.84 0.00 1.79 1.97 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.42 7.81 63 K 8.25 3.91 0.00 2.02 2.11 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.51 7.81 64 H 8.73 4.44 0.00 3.67 3.62 0.00 5.85 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 65 G 8.35 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 66 V 7.70 3.64 2.26 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 1.13 0.00 0.00 0.93 0.00 0.00 67 T 7.67 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 1.29 0.00 0.00 68 V 7.85 3.62 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 1.12 0.00 0.00 0.97 0.00 0.00 69 L 8.20 4.28 0.00 1.80 1.91 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.33 3.96 4.44 0.00 0.00 0.00 0.00 0.00 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 71 A 7.95 4.01 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 0.00 0.00 72 L 8.18 3.75 0.00 1.60 1.59 0.15 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.54 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 0.00 0.00 0.00 74 A 7.72 4.00 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 75 I 7.53 3.78 1.86 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 1.54 0.50 0.92 0.00 0.00 76 L 7.90 3.99 0.00 1.19 1.60 -0.07 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.59 4.10 0.00 1.87 1.79 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.16 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.50 7.81 78 K 7.79 4.02 0.00 1.85 1.77 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.74 7.81 79 K 8.12 2.00 0.00 1.22 0.74 0.00 1.48 0.00 0.00 1.42 0.00 0.00 2.72 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.38 0.89 7.81 80 G 7.79 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 81 H 7.34 4.68 0.00 3.18 3.21 0.00 5.62 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 82 H 7.25 5.37 0.00 3.26 3.43 0.00 5.66 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.69 3.97 0.00 2.09 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 2.43 2.50 0.00 84 A 7.89 4.10 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 85 E 8.11 4.11 0.00 2.23 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 2.40 2.46 0.00 86 L 8.27 4.04 0.00 1.80 1.69 0.79 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.00 3.82 0.00 1.96 1.85 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.49 7.81 88 P 0.00 4.31 0.00 2.32 2.30 0.00 3.86 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 2.10 2.07 0.00 89 L 7.88 4.02 0.00 1.96 1.75 1.07 0.93 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 90 A 8.42 4.10 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 91 Q 8.17 3.77 0.00 2.29 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 92 S 8.33 3.96 0.00 3.88 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.66 4.17 0.00 3.46 3.57 0.00 5.81 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 94 A 7.90 2.91 -0.05 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 95 T 7.23 3.84 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 96 K 7.47 4.17 0.00 1.57 1.71 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.18 1.35 7.81 97 H 8.31 4.38 0.00 2.99 3.14 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 98 K 7.54 3.85 0.00 1.86 1.84 0.00 1.79 0.00 0.00 2.40 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.37 7.81 99 I 8.21 4.23 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.90 1.06 0.00 0.00 100 P 0.00 4.51 0.00 1.71 1.78 0.00 2.20 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.80 0.00 101 I 8.19 3.38 1.69 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.52 0.68 0.00 0.00 102 K 7.89 3.65 0.00 1.75 1.73 0.00 1.53 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 0.72 7.81 103 Y 8.08 4.14 0.00 3.15 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 0.00 104 L 7.89 4.19 0.00 1.81 1.74 0.57 0.91 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 0.00 105 E 7.89 3.96 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 106 F 7.77 4.51 0.00 3.30 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 0.00 107 I 8.17 3.87 2.05 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 1.13 0.00 0.00 108 S 8.34 4.20 0.00 4.20 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 0.00 109 E 8.59 4.11 0.00 2.26 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 0.00 2.65 2.61 0.00 110 A 8.37 4.05 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 0.00 111 I 8.11 3.68 2.09 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 1.60 1.05 1.03 0.00 0.00 112 I 7.88 3.84 2.15 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 1.60 1.21 1.20 0.00 0.00 113 H 8.50 4.24 0.00 3.41 3.48 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.01 3.61 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 0.78 0.00 0.00 0.91 0.00 0.00 115 L 7.86 3.73 0.00 0.93 0.28 0.64 0.62 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 0.00 116 H 8.00 4.33 0.00 3.32 3.41 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.67 4.20 0.00 3.87 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 0.00 118 R 8.00 4.15 0.00 1.44 1.62 0.00 3.11 0.00 0.00 2.81 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 119 H 8.16 4.95 0.00 3.08 3.20 0.00 5.61 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 0.00 120 P 0.00 4.77 0.00 2.20 2.36 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 121 G 7.94 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 0.00 0.00 0.00 0.00 122 D 7.72 5.02 0.00 2.78 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 9.09 4.19 0.00 3.04 3.10 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 0.00 0.00 0.00 0.00 124 G 7.45 3.82 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 0.00 0.00 0.00 125 A 8.45 3.86 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.94 4.19 0.00 2.84 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 0.00 127 A 7.78 3.99 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 0.00 128 Q 7.94 3.69 0.00 1.28 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 129 G 8.21 3.57 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 0.00 0.00 0.00 130 A 7.99 3.91 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 0.00 131 M 8.48 3.96 0.00 2.33 2.29 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.76 0.00 132 N 8.43 4.32 0.00 2.90 2.93 0.00 0.00 7.24 6.41 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 0.00 133 K 8.22 4.15 0.00 1.88 1.65 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.24 7.81 134 A 8.04 3.76 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 0.00 135 L 8.18 4.08 0.00 1.75 1.81 0.98 0.65 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 0.00 136 E 8.66 3.99 0.00 2.15 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 2.34 2.50 0.00 137 L 8.16 4.09 0.00 1.87 1.96 0.99 1.22 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 0.00 138 F 8.44 4.18 0.00 3.15 3.16 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 0.00 0.00 0.00 139 R 8.25 3.54 0.00 1.99 1.84 0.00 3.13 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.97 0.00 140 K 8.40 3.79 0.00 1.81 1.98 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.48 7.81 141 D 8.08 4.40 0.00 2.75 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 0.00 142 I 7.57 3.69 1.50 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.02 0.51 0.00 0.00 143 A 8.25 3.74 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 0.00 144 A 7.86 3.94 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 0.00 145 K 7.71 4.03 0.00 2.06 1.90 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.63 7.81 146 Y 8.58 4.11 0.00 3.11 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 0.00 147 K 8.45 4.39 0.00 1.94 2.00 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.62 7.81 148 E 7.86 3.94 0.00 2.04 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 0.00 2.34 2.37 0.00 149 L 7.87 4.36 0.00 1.96 1.88 0.78 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.97 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 0.00 151 Y 8.68 4.38 0.00 2.83 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 0.00 152 Q 7.93 4.59 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 153 G 8.96 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00