NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.3817 8.3193 116.7798 58.2317 65.1839 174.5508 9 S 4.5596 7.5727 113.9423 56.5174 65.7182 173.6164 10 G 3.6529 8.7547 109.5776 47.9609 0.0000 177.1263 11 R 3.9908 7.9558 120.2742 59.5136 30.1852 178.3171 12 E 4.1231 8.2033 118.3410 59.6085 29.2200 179.1144 13 N 4.3334 8.2968 115.8670 56.1105 38.6105 176.9516 14 L 3.9566 7.7794 120.9578 57.6169 42.3883 177.6416 15 Y 4.6871 7.7242 113.0818 56.6325 39.1382 175.9461 16 F 4.3525 8.0929 123.5637 58.7776 39.7248 174.7467 17 Q 3.9997 7.7885 125.6988 55.5588 29.0897 175.6402 18 G 3.5729 5.6014 104.0434 44.2404 0.0000 173.1208 19 E 4.6521 8.2378 120.1370 53.9001 29.9335 175.7112 20 R 3.9505 8.6261 127.7929 56.0594 31.2592 175.3430 21 N 5.1683 8.3739 122.4154 51.7250 40.7976 174.2540 22 Y 5.0746 8.9461 124.4044 57.4626 39.5780 178.0820 23 N 4.6201 9.0451 119.2831 56.5136 38.7986 176.6954 24 K 4.0267 8.1955 120.3831 59.2859 32.3389 178.3663 25 W 4.0571 8.4811 127.9184 60.4724 30.7044 177.6309 26 A 3.9950 8.8667 121.0672 55.1620 17.9215 179.3810 27 E 3.7568 8.3355 117.0645 59.7112 29.5487 179.7952 28 S 4.0464 8.0577 115.0168 61.6188 62.8866 176.0813 29 Y 3.6425 7.6308 122.2577 60.6253 38.4268 178.2923 30 I 3.5649 7.6485 120.5038 64.2695 37.1950 178.5862 31 K 3.7993 7.8903 119.1689 59.5625 31.6764 178.8636 32 Y 3.9447 8.1977 120.0720 60.7178 38.4993 177.7382 33 N 3.9748 7.7075 116.0805 56.2301 38.9344 177.2440 34 L 3.8256 7.6522 120.3244 57.6557 41.3718 179.7247 35 S 4.3341 7.8437 114.2269 60.6790 62.7616 175.3237 36 N 4.6272 7.1174 116.6516 51.6380 38.8479 174.3278 37 L 4.3580 7.0036 123.4468 54.0071 42.9446 175.9985 38 K 4.8007 8.4546 124.1982 54.5733 35.9413 175.6537 39 I 4.5047 8.7192 124.8685 60.3592 39.6279 175.0933 40 E 4.8135 8.6919 127.2235 55.3518 33.3108 172.8218 *45 T 4.3151 8.4410 117.9142 60.5817 70.7086 169.3287 46 I 4.9245 8.9075 131.2317 59.5394 39.5837 175.5049 *47 Y 4.8365 9.2175 126.6998 55.4011 41.4914 171.2594 48 F 5.6162 8.4279 115.5274 57.1595 42.6225 174.0544 49 D 4.6207 9.5918 123.9398 53.5558 45.8629 174.3911 50 N 4.2849 8.4980 113.9141 53.1534 34.3562 172.5637 51 L 5.0035 7.7631 119.4626 54.8636 43.3370 178.1385 52 Q 4.6535 9.7231 122.8192 54.0353 32.1783 174.5726 53 V 4.8267 8.5704 123.4312 61.1350 34.3412 174.4296 54 S 4.6508 10.3287 123.1837 56.7027 64.7913 173.2192 55 G 3.4068 8.0362 115.4920 46.2267 0.0000 170.1940 56 N 5.4169 6.8918 116.5017 52.0120 43.8232 173.8085 57 A 5.5525 9.5008 122.5170 50.9887 23.2409 175.0110 58 C 5.4075 9.6545 118.3260 58.2746 33.4789 173.3565 59 V 5.0698 9.0962 121.1625 61.4741 34.5750 174.5118 60 S 5.1347 9.5025 122.6210 56.8603 67.4870 172.7827 61 I 4.7701 8.2841 122.2605 59.8820 38.5193 175.4387 62 R 4.6605 8.7084 126.4893 55.8939 33.2232 174.7824 63 K 3.7266 9.6427 121.3929 57.5625 29.5151 176.2110 64 G 3.9488 9.2883 104.4724 45.6538 0.0000 173.8315 65 K 4.6444 7.9877 117.2936 54.7792 35.7273 174.9842 66 Q 4.6668 8.5317 119.2668 55.9784 29.5398 175.6032 67 I 4.7459 9.0189 125.2419 59.3985 40.1669 174.4249 68 N 5.7704 8.8190 123.2314 51.3262 40.5932 173.5724 69 S 4.7355 9.0437 113.6374 57.3162 67.1773 172.7179 70 F 5.5174 8.4083 114.9971 56.3900 41.8294 173.1982 71 E 4.9792 8.9324 120.0451 55.7731 33.9884 173.8663 72 Y 5.2801 8.9961 121.8503 56.3331 42.7901 174.3028 73 I 4.9995 9.0539 124.2590 59.8947 39.8533 174.6837 74 I 5.0027 8.8729 127.0689 59.4940 40.3061 174.6430 75 K 5.2115 9.4064 126.7371 54.7560 35.8287 175.3673 76 F 5.7094 8.7435 117.9674 56.9637 41.9447 172.3563 77 E 5.3529 9.9046 118.2523 54.3218 33.1000 175.3896 78 W 5.4993 9.1769 121.6097 55.5330 31.0994 175.3946 79 L 5.0718 9.2590 124.1004 53.1588 44.8460 173.7891 80 Y 5.3392 8.2787 122.1783 55.7926 39.7652 175.9177 81 S 4.4572 8.7134 122.5233 57.9964 66.6724 171.3851 *89 Y 3.9947 8.4497 120.1309 57.1973 38.0086 176.4436 *90 F 4.3285 8.5299 123.5940 55.7444 38.6527 172.5262 91 G 2.7036 9.3058 114.6659 43.9017 0.0000 174.3979 92 G 3.6245 5.7900 106.8607 44.9221 0.0000 171.1207 93 S 5.3022 8.1665 115.2675 56.6124 66.8363 173.6953 94 V 4.8105 9.1248 121.1879 61.1137 34.9691 173.7169 95 E 4.9721 9.2819 127.6657 54.4672 33.1793 174.4233 96 I 4.6684 9.1397 128.3248 59.0852 38.0756 174.6788 97 P 4.4241 0.0000 0.0000 64.7367 31.7631 176.6535 98 D 4.7798 7.6777 117.4777 52.7367 41.7411 172.8315 99 F 4.4612 9.3998 123.8185 56.4509 40.4041 173.9490 100 S 5.1658 8.4365 120.7872 55.2849 66.6618 175.1637 101 T 2.0000 7.5496 115.6965 66.2113 67.8434 175.2142 102 F 4.7473 7.4142 116.7303 57.2910 39.5183 177.9225 103 S 4.2288 8.2982 120.1557 61.2831 62.6260 175.7912 104 L 4.8311 7.7476 117.2579 55.1153 42.1459 177.4166 105 E 4.2109 8.1592 119.2896 59.1448 29.3571 177.8246 106 E 4.5764 8.0600 113.0453 55.0966 31.2142 175.2433 107 N 4.5468 8.0073 115.4186 54.9341 36.6619 173.9011 108 D 4.8898 8.0312 111.3593 52.9894 40.1796 175.6489 109 Y 4.5404 7.4453 116.6959 56.9693 39.6101 174.2387 110 A 4.3085 8.4617 123.8006 51.9390 19.5491 176.9996 111 I 4.7811 8.1332 120.9500 59.6280 40.5386 174.6568 112 N 4.8744 9.6481 127.8106 52.5351 40.1218 174.5663 113 I 4.9144 8.6219 126.4945 59.5422 38.3316 171.7772 114 E 4.7413 9.3966 127.9280 54.3615 33.8311 174.2194 *117 D 4.5925 8.5916 114.1432 54.5666 41.6004 171.5300 118 E 4.2745 8.2048 120.8776 58.5036 30.4214 177.6759 119 S 4.5631 7.6448 117.9039 60.2721 64.8042 179.7989 120 E 4.3088 8.7711 124.0766 60.4380 29.2666 179.4110 121 N 4.3549 8.1622 119.2376 57.7473 37.7696 180.5348 122 L 4.3030 7.8764 120.9744 57.3197 41.7111 179.6190 123 R 3.9467 7.9706 118.4530 59.3670 30.0937 178.4125 124 F 4.2933 8.2306 120.3289 61.4323 39.4720 177.0225 125 I 3.2937 7.4551 119.5542 64.3943 36.8023 177.6755 126 Y 3.7008 7.9360 120.1349 60.8830 38.3993 178.0871 127 D 4.2373 8.1371 118.7146 56.8100 41.0600 178.1949 128 S 4.2842 7.9996 113.1167 59.5419 63.6097 173.9848 129 I 4.2765 7.4793 121.7900 62.6528 40.0080 177.4345 130 L 3.6855 7.3625 119.1548 57.6114 41.8928 179.5236 131 K 3.3481 7.3737 118.8787 58.7360 31.9245 177.0156 132 K 4.2942 7.2524 115.0076 58.0487 33.7743 177.9793 133 E 4.2204 7.2625 120.1161 58.5837 29.7188 179.2012 134 G 3.6034 8.1422 105.9738 47.9808 0.0000 175.9160 135 K 3.9831 7.7703 121.1786 58.7385 31.5916 179.3986 136 E 3.9293 8.3535 119.1662 59.3765 29.3214 179.6021 137 K 4.0488 8.2204 118.5097 59.3941 32.0935 179.4244 138 I 3.5679 7.8700 120.1233 64.4261 36.8417 178.6620 139 K 4.2474 7.8828 119.1105 58.9050 32.0235 178.6373 140 E 4.1060 8.7215 120.0208 59.3933 29.3006 178.2494 141 C 4.0093 8.1742 117.9697 62.3965 31.9555 174.9504 142 L 4.6272 7.7993 117.9216 55.1086 41.4294 178.6610 143 K 4.3416 7.8624 119.2386 59.3597 32.7118 177.7578 144 N 4.9141 8.0565 116.1689 52.9920 38.6795 176.0685 145 F 3.7075 8.3963 125.1845 61.6196 39.4568 177.1472 146 Q 3.7618 8.2101 118.4314 59.0780 28.9992 177.6310 147 E 3.9468 8.1223 119.1836 59.6314 29.5238 178.9821 148 D 4.3581 8.6661 119.1654 56.8435 40.7351 178.6123 149 L 2.4400 7.5808 121.3272 57.6482 42.0342 179.0804 150 L 3.7529 7.5667 118.8135 57.6396 41.4910 179.7427 151 K 3.9100 7.9674 118.5340 59.3836 31.8744 178.9337 152 H 3.8651 7.8740 118.7629 59.1441 29.6125 176.8586 153 D 4.1854 7.5259 121.3573 56.4689 40.9316 178.0501 154 K 3.8363 7.8637 120.1350 59.6726 32.2411 178.5422 155 N 4.4124 8.1972 116.4330 55.8475 38.2128 177.3553 156 E 3.9452 8.0500 120.1514 59.3643 29.7660 179.1731 157 S 4.2431 8.2181 115.3287 61.6778 62.8521 176.4098 158 N 4.3236 8.4505 119.5685 56.0556 37.9682 176.9670 159 K 3.7632 7.8602 120.4311 59.6667 32.2304 177.6723 160 E 4.2785 7.9806 115.7835 57.0252 29.8203 177.0614 161 L 4.3804 7.9597 120.8859 55.9570 42.3836 177.3929 162 K 4.7505 7.7274 122.6172 54.2520 32.9146 182.3306 163 I 4.2899 7.6703 123.3545 60.7516 36.4493 177.0725 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 8 S 8.32 4.38 0.00 3.85 3.96 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 9 S 7.57 4.56 0.00 4.05 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 10 G 8.75 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 11 R 7.96 3.99 0.00 1.96 2.00 0.00 3.23 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.87 0.00 12 E 8.20 4.12 0.00 2.20 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 0.00 2.38 2.38 0.00 13 N 8.30 4.33 0.00 2.80 2.88 0.00 0.00 7.03 8.30 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 14 L 7.78 3.96 0.00 1.49 1.60 0.68 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.72 4.69 0.00 3.20 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.09 4.35 0.00 3.05 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 17 Q 7.79 4.00 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.57 0.00 0.00 0.00 0.00 0.00 2.40 2.23 0.00 18 G 5.60 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 19 E 8.24 4.65 0.00 2.19 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 2.29 2.27 0.00 20 R 8.63 3.95 0.00 1.93 1.32 0.00 3.12 0.00 0.00 3.02 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 21 N 8.37 5.17 0.00 2.68 2.61 0.00 0.00 6.93 7.54 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 22 Y 8.95 5.07 0.00 3.09 2.95 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 0.00 0.00 0.00 23 N 9.05 4.62 0.00 3.02 3.02 0.00 0.00 6.70 6.98 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 24 K 8.20 4.03 0.00 1.92 1.95 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.56 7.81 25 W 8.48 4.06 0.00 3.54 3.44 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 0.00 26 A 8.87 4.00 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 0.00 0.00 0.00 0.00 0.00 27 E 8.34 3.76 0.00 2.08 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 2.59 2.61 0.00 28 S 8.06 4.05 0.00 3.81 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 29 Y 7.63 3.64 0.00 1.83 2.39 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 30 I 7.65 3.56 1.60 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 1.08 0.70 0.54 0.00 0.00 31 K 7.89 3.80 0.00 1.96 1.80 0.00 1.64 0.00 0.00 1.55 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.44 7.81 32 Y 8.20 3.94 0.00 2.91 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 33 N 7.71 3.97 0.00 2.50 2.59 0.00 0.00 7.13 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 34 L 7.65 3.83 0.00 1.32 1.01 0.26 0.10 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 35 S 7.84 4.33 0.00 3.72 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 36 N 7.12 4.63 0.00 2.22 2.52 0.00 0.00 6.92 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 37 L 7.00 4.36 0.00 1.65 1.81 0.94 0.69 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 38 K 8.45 4.80 0.00 1.72 1.62 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.39 7.81 39 I 8.72 4.50 1.86 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.79 0.93 0.00 0.00 40 E 8.69 4.81 0.00 1.69 1.67 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 2.11 1.84 0.00 *45 T 8.44 4.32 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 46 I 8.91 4.92 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.64 0.72 0.00 0.00 *47 Y 9.22 4.84 0.00 1.92 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 0.00 0.00 0.00 0.00 48 F 8.43 5.62 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 9.59 4.62 0.00 2.77 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 50 N 8.50 4.28 0.00 2.86 2.83 0.00 0.00 6.58 6.67 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 51 L 7.76 5.00 0.00 1.48 1.60 0.78 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 9.72 4.65 0.00 1.98 2.01 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 2.31 2.58 0.00 53 V 8.57 4.83 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.83 0.00 0.00 54 S 10.33 4.65 0.00 3.97 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 55 G 8.04 3.41 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 0.00 56 N 6.89 5.42 0.00 2.53 2.66 0.00 0.00 7.06 6.43 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 57 A 9.50 5.55 1.69 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 0.00 0.00 58 C 9.65 5.41 0.00 2.90 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 59 V 9.10 5.07 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 1.05 0.00 0.00 0.93 0.00 0.00 60 S 9.50 5.13 0.00 3.88 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 61 I 8.28 4.77 1.88 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 1.21 0.81 0.99 0.00 0.00 62 R 8.71 4.66 0.00 1.94 1.75 0.00 3.01 0.00 0.00 3.11 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 63 K 9.64 3.73 0.00 1.97 1.90 0.00 1.88 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.44 7.81 64 G 9.29 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.99 4.64 0.00 1.93 1.88 0.00 1.34 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.45 7.81 66 Q 8.53 4.67 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 67 I 9.02 4.75 1.94 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 1.50 0.99 0.96 0.00 0.00 68 N 8.82 5.77 0.00 2.86 2.78 0.00 0.00 5.96 7.64 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 69 S 9.04 4.74 0.00 3.78 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 70 F 8.41 5.52 0.00 3.61 3.44 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 0.00 71 E 8.93 4.98 0.00 1.83 1.77 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 2.16 2.23 0.00 72 Y 9.00 5.28 0.00 3.29 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 73 I 9.05 5.00 1.94 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 1.54 0.72 1.00 0.00 0.00 74 I 8.87 5.00 1.91 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.93 0.96 0.00 0.00 75 K 9.41 5.21 0.00 1.68 1.70 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.34 1.38 7.81 76 F 8.74 5.71 0.00 3.39 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 77 E 9.90 5.35 0.00 1.94 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 2.33 2.27 0.00 78 W 9.18 5.50 0.00 3.41 3.51 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 79 L 9.26 5.07 0.00 1.25 1.50 0.92 0.74 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 80 Y 8.28 5.34 0.00 3.10 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 81 S 8.71 4.46 0.00 3.38 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 *89 Y 8.45 3.99 0.00 2.26 2.25 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 *90 F 8.53 4.33 0.00 2.29 2.12 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 91 G 9.31 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 G 5.79 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 93 S 8.17 5.30 0.00 3.91 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 94 V 9.12 4.81 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 0.00 0.00 0.64 0.00 0.00 1.02 0.00 0.00 95 E 9.28 4.97 0.00 1.97 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 96 I 9.14 4.67 1.95 0.00 0.00 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 1.47 0.78 1.20 0.00 0.00 97 P 0.00 4.42 0.00 2.23 2.31 0.00 3.70 0.00 0.00 4.46 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 98 D 7.68 4.78 0.00 2.68 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 99 F 9.40 4.46 0.00 3.01 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.44 5.17 0.00 3.68 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 0.00 101 T 7.55 2.00 3.26 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 0.01 0.00 0.00 102 F 7.41 4.75 0.00 3.05 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 0.00 103 S 8.30 4.23 0.00 3.50 3.91 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 0.00 104 L 7.75 4.83 0.00 1.77 1.86 1.10 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.16 4.21 0.00 2.11 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 0.00 2.71 2.60 0.00 106 E 8.06 4.58 0.00 1.95 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 2.23 2.32 0.00 107 N 8.01 4.55 0.00 2.84 2.84 0.00 0.00 6.71 9.11 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 0.00 108 D 8.03 4.89 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Y 7.45 4.54 0.00 3.29 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 0.00 110 A 8.46 4.31 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 0.00 111 I 8.13 4.78 1.88 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 1.55 0.76 0.93 0.00 0.00 112 N 9.65 4.87 0.00 2.59 2.76 0.00 0.00 6.55 7.36 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 0.00 113 I 8.62 4.91 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 1.20 0.73 0.91 0.00 0.00 114 E 9.40 4.74 0.00 1.56 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 2.12 2.09 0.00 *117 D 8.59 4.59 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.20 4.27 0.00 1.90 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 2.26 2.36 0.00 119 S 7.64 4.56 0.00 3.78 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.77 4.31 0.00 2.09 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 2.37 2.46 0.00 121 N 8.16 4.35 0.00 2.77 2.81 0.00 0.00 6.94 6.67 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 0.00 122 L 7.88 4.30 0.00 1.76 1.97 0.94 0.67 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 0.00 123 R 7.97 3.95 0.00 2.05 2.15 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.68 0.00 124 F 8.23 4.29 0.00 3.18 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 0.00 125 I 7.46 3.29 1.84 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.70 0.77 0.00 0.00 126 Y 7.94 3.70 0.00 3.07 3.11 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 0.00 127 D 8.14 4.24 0.00 2.82 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 0.00 128 S 8.00 4.28 0.00 3.51 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 0.00 129 I 7.48 4.28 1.74 0.00 0.00 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 1.14 0.44 0.79 0.00 0.00 130 L 7.36 3.69 0.00 1.10 1.26 -0.82 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 131 K 7.37 3.35 0.00 0.94 1.46 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.23 7.81 132 K 7.25 4.29 0.00 1.79 1.66 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.43 1.02 7.81 133 E 7.26 4.22 0.00 1.96 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 2.20 0.00 134 G 8.14 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 0.00 135 K 7.77 3.98 0.00 1.74 1.79 0.00 1.73 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.57 7.81 136 E 8.35 3.93 0.00 2.13 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 2.29 2.42 0.00 137 K 8.22 4.05 0.00 1.94 1.88 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.68 1.61 7.81 138 I 7.87 3.57 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.09 0.92 0.00 0.00 139 K 7.88 4.25 0.00 1.92 1.89 0.00 1.47 0.00 0.00 1.32 0.00 0.00 2.13 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.27 1.31 7.81 140 E 8.72 4.11 0.00 2.15 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 0.00 2.32 2.39 0.00 141 C 8.17 4.01 0.00 3.04 3.12 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 0.00 142 L 7.80 4.63 0.00 1.95 1.90 0.50 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.86 4.34 0.00 1.99 2.27 0.00 1.66 0.00 0.00 1.95 0.00 0.00 3.12 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.75 1.59 7.81 144 N 8.06 4.91 0.00 3.02 2.98 0.00 0.00 6.78 8.13 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 0.00 145 F 8.40 3.71 0.00 3.42 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 0.00 146 Q 8.21 3.76 0.00 2.43 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.68 0.00 0.00 0.00 0.00 0.00 2.49 2.79 0.00 147 E 8.12 3.95 0.00 2.21 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 2.42 2.45 0.00 148 D 8.67 4.36 0.00 2.63 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 7.58 2.44 0.00 0.88 1.30 0.23 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.57 3.75 0.00 1.75 1.74 0.90 0.56 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 0.00 151 K 7.97 3.91 0.00 1.71 1.79 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.55 7.81 152 H 7.87 3.87 0.00 2.52 2.21 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 D 7.53 4.19 0.00 2.37 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 0.00 154 K 7.86 3.84 0.00 1.79 1.83 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.43 7.81 155 N 8.20 4.41 0.00 2.78 2.80 0.00 0.00 7.06 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 0.00 156 E 8.05 3.95 0.00 2.04 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 2.10 2.37 0.00 157 S 8.22 4.24 0.00 3.99 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 N 8.45 4.32 0.00 2.82 2.85 0.00 0.00 6.65 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 K 7.86 3.76 0.00 2.04 1.85 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 160 E 7.98 4.28 0.00 1.98 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 2.30 2.49 0.00 161 L 7.96 4.38 0.00 1.67 1.69 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 162 K 7.73 4.75 0.00 1.70 1.58 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.24 0.98 7.81 163 I 7.67 4.29 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 1.27 1.17 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.