NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1397 8.1633 120.7158 55.2627 34.0796 173.8737 2 R 4.8304 9.1413 119.0395 52.7095 34.4077 169.3888 3 V 4.9657 8.7400 122.9171 59.9314 35.5489 174.0993 4 V 4.9229 8.7017 124.2436 61.4681 33.4819 174.1211 5 I 4.9990 9.1856 129.3763 59.7283 39.6806 174.6268 6 Q 5.0549 8.8337 125.5355 53.8362 31.9323 174.9009 7 R 4.2883 8.5972 125.5286 56.4088 31.3476 175.6919 8 V 5.0138 9.0071 118.6290 59.7806 35.7782 176.5448 9 K 4.1029 9.2941 122.8510 58.7253 32.8212 177.1638 10 G 4.4685 7.6688 104.6528 45.3877 0.0000 172.1611 11 A 5.7310 8.5609 121.1143 50.3474 23.2554 175.8606 12 I 4.6868 8.1527 120.0908 59.4840 39.9617 173.0159 13 L 4.5326 8.7363 129.2668 54.6907 43.4484 175.5806 14 S 5.2177 8.9948 120.8888 57.0830 67.9088 174.5672 15 V 4.3657 8.5266 110.6366 61.3740 34.6601 175.1392 *27 L 4.7420 7.9937 122.5362 55.0053 42.6772 175.2122 28 E 4.8161 8.8392 124.6485 54.0816 32.4421 175.5791 29 I 4.5301 8.4919 124.3985 61.5208 37.5068 175.7132 30 I 4.5199 8.1694 118.4445 60.5268 39.2909 175.4918 31 S 4.5614 7.7666 114.8980 57.6755 65.5615 173.4771 32 E 5.3310 8.7023 126.9353 55.0116 32.6443 173.8071 33 I 4.8775 9.0630 121.2335 59.1655 41.6623 175.6419 34 K 5.0486 8.7159 130.3413 53.9531 30.5298 178.4086 35 N 4.6325 8.5258 115.9055 54.6104 39.2857 175.4532 36 G 4.6849 6.9855 106.8877 46.2237 0.0000 171.1883 37 L 5.3101 8.2564 120.1712 53.0051 45.4266 175.3198 38 I 4.6168 8.6330 122.4819 59.4202 40.5529 173.8774 39 C 5.1474 8.9731 127.6321 58.0161 30.7692 173.2703 40 F 4.8879 9.1188 124.6092 56.6494 39.8090 174.6862 41 L 5.0032 9.4355 127.8595 53.3822 44.0531 175.2113 42 G 4.4902 9.8481 117.4217 46.1707 0.0000 172.8318 43 I 4.9820 8.6961 127.2201 59.5734 37.1354 171.4953 44 H 3.7865 9.4754 130.4037 54.3079 30.8085 176.6765 45 K 3.7574 7.9845 130.0575 58.4891 31.4539 178.4171 46 N 4.9240 8.2235 114.3721 52.1879 37.8011 176.3479 47 D 4.7439 7.8744 120.2164 55.2048 41.5695 176.5545 48 T 4.6632 9.1812 114.1294 59.7165 71.1601 175.4442 49 W 4.6924 8.9476 132.9082 60.5786 30.6547 178.3646 50 E 4.0194 8.7722 119.0524 61.0837 29.1741 184.0349 51 D 4.5302 7.9756 118.6454 57.4211 40.9112 178.6169 52 A 3.8295 7.9817 120.5182 55.1698 18.2530 179.3048 53 L 3.4248 7.0708 117.2129 57.9076 41.6312 179.1058 54 Y 3.8841 7.7921 119.1476 60.7658 38.6638 177.9863 55 I 3.6460 7.5275 120.0753 64.6369 37.3855 178.2877 56 I 3.1816 7.6428 122.6652 64.8635 36.3080 178.9754 57 R 3.8007 8.1072 121.6568 61.5868 28.9844 180.6608 58 K 4.0009 7.6759 119.0712 59.5437 31.9367 179.3155 59 C 4.0950 8.1338 115.8352 62.7852 28.1506 175.7191 60 L 4.3436 7.7673 118.3803 55.7865 41.6042 177.0939 61 N 4.9348 7.4323 112.7029 52.6556 41.1665 175.0492 62 L 3.9349 8.0622 119.4214 55.0770 42.4380 176.7265 63 R 4.7561 8.5754 122.2359 55.4107 29.4685 176.4553 64 L 5.1169 8.6544 120.5305 53.6319 43.7774 176.7444 65 W 4.6714 8.2069 119.2171 54.6699 31.9982 175.9644 66 N 5.1539 8.4359 118.9652 54.1650 40.0357 172.0997 67 N 4.4402 8.5966 121.1773 55.4840 45.7800 176.2002 *70 K 4.1451 7.5778 119.0511 54.4068 33.3004 176.4001 71 T 4.8003 8.3539 112.4247 60.5808 70.5937 174.3913 72 W 3.7043 7.9379 121.1436 57.2130 26.3670 174.2855 73 D 4.6086 7.6320 116.8035 55.1988 42.4871 175.9245 74 K 4.3712 7.7530 117.4361 55.8057 33.5528 176.5390 75 N 5.9129 8.7990 119.0821 50.4909 40.0907 175.5947 76 V 3.4585 8.4987 116.7245 65.2265 31.3528 178.1922 77 K 3.6864 7.8720 118.5642 58.7475 31.7011 178.7758 78 D 4.3223 7.8150 118.3558 57.4754 40.9663 178.6013 79 L 3.6700 6.9893 116.5062 54.5464 42.8091 175.9364 80 N 4.1608 7.1083 116.2790 54.2007 36.7513 170.9915 81 Y 5.1935 8.2411 117.1222 56.4122 42.0153 176.1452 82 E 4.9396 8.7021 119.0775 55.1966 32.4787 175.5390 83 L 5.2356 8.5889 120.8413 52.8929 45.7465 175.3894 84 L 4.9025 8.7088 124.3963 53.4522 44.7747 174.9103 85 I 4.7449 8.6036 128.1840 59.7301 39.4458 174.9881 86 V 4.6678 8.4909 126.6461 60.7124 34.4096 174.5677 87 S 4.6541 8.5570 123.2983 58.6366 62.6660 173.4868 88 Q 4.4160 9.8128 129.3172 54.8189 30.9190 174.9118 89 F 4.6956 8.9240 122.5249 58.6378 38.8672 177.8550 90 T 3.8104 6.6627 110.7229 63.5588 68.7921 176.3466 91 L 3.8463 7.9337 122.0917 58.0932 41.7127 177.8772 92 F 4.6082 8.4314 115.9676 57.7255 38.5453 175.6509 93 G 4.0319 8.0743 112.0906 44.0138 0.0000 173.5551 94 N 4.3828 8.8516 126.4376 53.4367 39.3452 175.5157 95 T 4.4846 8.3486 116.1286 61.9252 70.4441 176.5159 96 K 4.1316 8.3274 126.9990 54.0856 30.5324 181.7233 *98 G 3.8293 7.7104 109.6417 46.5056 0.0000 172.7763 99 N 4.7748 8.7817 117.6302 53.2126 39.1690 175.2906 100 K 4.5173 7.6748 120.0935 51.7019 34.4386 179.0430 101 P 4.4062 0.0000 0.0000 61.9639 31.9128 175.2458 102 D 4.0776 7.7703 118.0383 54.0322 43.3646 175.5794 103 F 5.6413 8.3199 132.0866 56.6888 37.7477 176.4601 *104 H 4.5504 7.9474 115.4611 56.0659 28.9784 177.7921 105 L 4.5861 7.8499 115.3841 55.0279 43.2785 176.2306 106 A 4.1751 7.9958 122.0750 51.1845 18.7919 177.4694 107 K 3.8690 8.2748 124.9605 56.3176 33.2595 176.3846 108 E 4.0215 8.8065 126.9184 55.5813 30.5698 175.6076 109 P 4.4235 0.0000 0.0000 66.9127 31.1862 179.0610 110 N 4.4574 8.5472 119.1451 57.7084 37.8369 179.3569 111 E 4.3939 8.3872 119.4236 60.7084 30.0537 181.2188 112 A 4.3589 8.5270 122.5110 55.2750 18.3554 179.2453 113 L 3.0998 7.7080 118.4410 58.2750 41.8378 179.4540 114 I 3.7074 7.6374 118.8395 64.3481 37.1925 177.6240 115 F 4.2287 8.3277 121.6338 61.7836 39.1056 176.4774 116 Y 4.2237 8.9589 118.9564 61.1175 38.7459 177.6702 117 N 4.3795 8.9116 120.0437 57.0056 38.6439 178.1416 118 K 3.9664 8.5015 125.2906 59.7659 31.7365 181.3332 119 I 3.9037 7.9170 121.4304 64.4763 37.1930 178.4420 120 I 3.8519 7.6965 120.4154 64.5778 36.7905 178.1819 121 D 4.3669 8.2549 119.4899 57.3536 40.7396 178.2028 122 E 3.9786 8.2805 119.6889 59.5264 29.5249 178.5401 123 F 4.0544 8.4617 118.0389 60.9831 38.8419 178.1150 124 K 4.1522 8.1004 118.3644 59.8863 31.8831 179.8927 125 K 4.1262 8.1773 123.3554 60.1869 31.7442 180.8001 126 Q 4.3754 8.5249 118.6980 56.3284 29.1112 177.9458 127 Y 4.8008 9.0209 115.8705 56.5299 39.1067 177.5172 128 N 4.9488 8.4728 114.3352 51.4112 42.2691 173.2998 129 D 4.2690 8.8865 124.6270 57.2265 41.2277 176.5685 130 D 4.5621 8.6626 116.2105 54.5448 41.7198 176.3241 131 K 4.3183 7.8068 117.0960 57.1744 34.0900 175.8172 132 I 4.5871 7.5616 121.0853 59.8419 38.2860 175.3273 133 K 4.8531 8.7413 125.8770 54.6695 36.2609 175.1948 134 I 5.2561 7.5875 114.3261 59.0626 41.2532 173.0672 135 G 4.0742 8.5365 110.6340 43.9906 0.0000 172.3876 136 K 4.3338 8.2416 121.3199 54.2448 31.9699 175.8741 137 F 3.7895 8.8670 128.3530 59.8583 39.4350 176.0441 138 G 3.9788 8.0130 113.7547 46.0853 0.0000 173.2717 139 N 4.7820 7.7137 116.8084 51.9348 39.8416 174.2525 140 Y 4.1207 8.5179 122.0943 57.9340 39.2890 174.8164 141 M 4.8728 7.7090 125.7518 53.4499 35.9712 174.8776 142 N 4.7069 8.8531 117.9198 52.2343 42.0289 172.8531 143 I 4.8582 8.4018 127.1666 59.7061 39.7546 175.3658 144 D 4.7317 8.6296 127.7709 53.0266 41.5560 175.1685 145 V 4.6274 8.2211 123.2943 61.5736 33.7162 175.6497 146 T 4.4992 8.5965 124.7355 61.6136 69.4003 172.6328 147 N 4.7789 8.6071 123.6009 53.3369 39.3969 175.1369 148 D 4.2550 10.0729 125.2950 51.6616 39.8909 176.0465 149 G 4.3564 8.2427 116.8456 45.1074 0.0000 169.5679 150 P 4.4166 0.0000 0.0000 61.1132 33.2821 176.0703 151 V 4.4202 8.0728 118.3380 61.7411 34.2195 173.9970 152 T 5.1736 8.7008 124.5982 61.8060 71.0436 173.7175 153 I 4.6195 8.9390 127.2188 59.5392 40.4432 173.8094 154 Y 5.2626 8.7291 127.3251 55.8940 41.3391 174.7009 155 I 4.2871 7.8098 125.9107 59.6300 41.3871 173.8679 156 D 5.1265 8.0434 127.1590 52.1245 40.4078 175.7222 157 T 3.7450 8.4882 115.0630 63.7767 70.5074 176.2835 158 H 4.8433 7.9868 121.3719 54.9159 27.6265 175.0989 159 D 4.2959 9.1463 125.2492 54.7275 41.8544 175.7994 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 5.14 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.14 4.83 0.00 1.29 1.63 0.00 2.21 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.47 0.00 3 V 8.74 4.97 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.01 0.00 0.00 4 V 8.70 4.92 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 1.07 0.00 0.00 1.10 0.00 0.00 5 I 9.19 5.00 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 0.93 0.00 0.00 6 Q 8.83 5.05 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.01 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 7 R 8.60 4.29 0.00 1.65 1.63 0.00 2.21 0.00 0.00 2.47 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.65 0.00 8 V 9.01 5.01 2.33 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 0.81 0.00 0.00 1.03 0.00 0.00 9 K 9.29 4.10 0.00 1.59 1.85 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.48 1.55 7.81 10 G 7.67 4.47 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 11 A 8.56 5.73 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 12 I 8.15 4.69 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 1.22 1.45 0.91 0.00 0.00 13 L 8.74 4.53 0.00 1.72 1.61 0.88 0.89 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 14 S 8.99 5.22 0.00 3.80 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 15 V 8.53 4.37 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 0.75 0.00 0.00 0.97 0.00 0.00 *27 L 7.99 4.74 0.00 1.71 1.70 0.96 1.03 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 28 E 8.84 4.82 0.00 2.06 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 2.19 2.26 0.00 29 I 8.49 4.53 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 1.41 0.54 0.94 0.00 0.00 30 I 8.17 4.52 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.69 0.99 0.00 0.00 31 S 7.77 4.56 0.00 3.90 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 32 E 8.70 5.33 0.00 1.95 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 2.17 2.44 0.00 33 I 9.06 4.88 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.18 0.91 0.00 0.00 34 K 8.72 5.05 0.00 1.72 1.40 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.27 7.81 35 N 8.53 4.63 0.00 1.44 1.60 0.00 0.00 6.71 7.62 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 36 G 6.99 4.68 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 0.00 37 L 8.26 5.31 0.00 1.69 1.61 1.09 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.63 4.62 1.77 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.19 0.92 0.00 0.00 39 C 8.97 5.15 0.00 2.75 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 40 F 9.12 4.89 0.00 3.00 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 41 L 9.44 5.00 0.00 1.90 1.82 1.12 1.21 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 42 G 9.85 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 0.00 0.00 0.00 0.00 43 I 8.70 4.98 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 1.23 0.74 0.91 0.00 0.00 44 H 9.48 3.79 0.00 2.96 3.30 0.00 5.57 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.98 3.76 0.00 1.83 1.73 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.40 1.28 7.81 46 N 8.22 4.92 0.00 2.73 2.71 0.00 0.00 6.69 8.06 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 47 D 7.87 4.74 0.00 2.60 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 9.18 4.66 4.35 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 1.34 0.00 0.00 49 W 8.95 4.69 0.00 3.57 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 50 E 8.77 4.02 0.00 2.00 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 2.24 2.22 0.00 51 D 7.98 4.53 0.00 3.06 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 52 A 7.98 3.83 0.43 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 53 L 7.07 3.42 0.00 1.65 1.56 0.95 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.79 3.88 0.00 3.02 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 55 I 7.53 3.65 1.98 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 1.80 0.90 1.01 0.00 0.00 56 I 7.64 3.18 1.52 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.77 0.12 0.00 0.00 57 R 8.11 3.80 0.00 1.76 1.97 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 58 K 7.68 4.00 0.00 1.70 1.73 0.00 1.46 0.00 0.00 1.32 0.00 0.00 2.50 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.71 1.08 7.81 59 C 8.13 4.10 0.00 3.22 3.20 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 60 L 7.77 4.34 0.00 1.66 1.62 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.43 4.93 0.00 2.76 2.77 0.00 0.00 6.98 7.73 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 62 L 8.06 3.93 0.00 1.73 1.63 0.90 1.03 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 63 R 8.58 4.76 0.00 2.17 2.18 0.00 3.10 0.00 0.00 3.40 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 64 L 8.65 5.12 0.00 1.23 1.05 0.85 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.21 4.67 0.00 3.59 2.92 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 66 N 8.44 5.15 0.00 2.65 2.79 0.00 0.00 6.75 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.60 4.44 0.00 2.66 2.79 0.00 0.00 7.02 6.65 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 *70 K 7.58 4.15 0.00 1.75 1.71 0.00 1.83 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 71 T 8.35 4.80 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 1.19 0.00 0.00 72 W 7.94 3.70 0.00 3.49 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 73 D 7.63 4.61 0.00 2.82 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.75 4.37 0.00 1.86 1.67 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.34 7.81 75 N 8.80 5.91 0.00 3.14 3.12 0.00 0.00 6.64 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.50 3.46 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 0.99 0.00 0.00 1.11 0.00 0.00 77 K 7.87 3.69 0.00 1.60 1.65 0.00 1.43 0.00 0.00 1.47 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 0.89 7.81 78 D 7.81 4.32 0.00 2.77 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 79 L 6.99 3.67 0.00 0.29 0.18 0.24 0.69 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 80 N 7.11 4.16 0.00 2.75 2.78 0.00 0.00 6.98 7.41 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 81 Y 8.24 5.19 0.00 2.70 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.70 4.94 0.00 1.94 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 83 L 8.59 5.24 0.00 1.51 1.38 1.17 0.46 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 84 L 8.71 4.90 0.00 1.65 1.39 0.89 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.60 4.74 1.78 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.37 0.94 0.00 0.00 86 V 8.49 4.67 1.81 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 0.86 0.00 0.00 0.82 0.00 0.00 87 S 8.56 4.65 0.00 2.98 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 88 Q 9.81 4.42 0.00 2.28 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.61 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 89 F 8.92 4.70 0.00 3.41 3.29 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 90 T 6.66 3.81 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 0.38 0.00 0.00 91 L 7.93 3.85 0.00 1.44 1.50 1.01 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.43 4.61 0.00 3.50 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 93 G 8.07 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 0.00 0.00 0.00 94 N 8.85 4.38 0.00 2.75 2.82 0.00 0.00 6.53 6.80 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 95 T 8.35 4.48 4.19 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 1.14 0.00 0.00 96 K 8.33 4.13 0.00 1.77 1.73 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.26 7.81 *98 G 7.71 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.78 4.77 0.00 2.66 2.81 0.00 0.00 6.44 7.61 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 0.00 100 K 7.67 4.52 0.00 1.72 1.55 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.23 0.98 7.81 101 P 0.00 4.41 0.00 1.29 1.71 0.00 3.67 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 102 D 7.77 4.08 0.00 2.54 2.35 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 0.00 103 F 8.32 5.64 0.00 3.26 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 *104 H 7.95 4.55 0.00 2.99 2.97 0.00 7.18 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.85 4.59 0.00 1.39 1.56 1.12 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.00 4.18 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.27 3.87 0.00 1.80 1.72 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.44 1.33 7.81 108 E 8.81 4.02 0.00 1.98 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 0.00 2.36 2.26 0.00 109 P 0.00 4.42 0.00 2.19 2.19 0.00 3.61 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 110 N 8.55 4.46 0.00 2.84 2.73 0.00 0.00 7.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.39 4.39 0.00 2.01 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 2.23 2.19 0.00 112 A 8.53 4.36 1.64 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 0.00 113 L 7.71 3.10 0.00 0.56 1.36 0.34 0.72 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 0.00 114 I 7.64 3.71 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.77 0.93 0.00 0.00 115 F 8.33 4.23 0.00 3.17 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 0.00 116 Y 8.96 4.22 0.00 3.52 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 0.00 117 N 8.91 4.38 0.00 2.96 2.91 0.00 0.00 7.24 8.16 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 0.00 118 K 8.50 3.97 0.00 1.73 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.36 7.81 119 I 7.92 3.90 1.94 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.34 0.96 0.00 0.00 120 I 7.70 3.85 1.93 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.08 0.90 0.00 0.00 121 D 8.25 4.37 0.00 2.93 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 0.00 122 E 8.28 3.98 0.00 2.42 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 2.29 2.29 0.00 123 F 8.46 4.05 0.00 3.29 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 0.00 124 K 8.10 4.15 0.00 1.90 1.90 0.00 1.89 0.00 0.00 1.87 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.67 7.81 125 K 8.18 4.13 0.00 1.84 1.73 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.36 7.81 126 Q 8.52 4.38 0.00 1.98 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 127 Y 9.02 4.80 0.00 3.04 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 0.00 0.00 0.00 128 N 8.47 4.95 0.00 2.60 1.85 0.00 0.00 6.50 8.49 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 0.00 129 D 8.89 4.27 0.00 2.65 2.67 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 0.00 130 D 8.66 4.56 0.00 2.52 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 0.00 131 K 7.81 4.32 0.00 0.87 1.49 0.00 1.77 0.00 0.00 1.50 0.00 0.00 2.70 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.87 0.58 7.81 132 I 7.56 4.59 1.85 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 1.54 0.98 0.78 0.00 0.00 133 K 8.74 4.85 0.00 1.60 1.62 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.29 1.45 7.81 134 I 7.59 5.26 2.08 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 1.28 1.86 0.96 0.00 0.00 135 G 8.54 4.07 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 0.00 0.00 0.00 136 K 8.24 4.33 0.00 1.83 1.76 0.00 1.80 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.47 7.81 137 F 8.87 3.79 0.00 2.99 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 0.00 138 G 8.01 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 7.71 4.78 0.00 2.94 2.82 0.00 0.00 6.89 7.62 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 0.00 140 Y 8.52 4.12 0.00 2.97 2.87 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 0.00 141 M 7.71 4.87 0.00 1.79 1.77 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.45 0.00 142 N 8.85 4.71 0.00 2.88 2.66 0.00 0.00 7.43 7.44 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 0.00 143 I 8.40 4.86 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.74 0.89 0.00 0.00 144 D 8.63 4.73 0.00 2.54 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 0.00 145 V 8.22 4.63 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 0.84 0.00 0.00 0.99 0.00 0.00 146 T 8.60 4.50 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 0.00 147 N 8.61 4.78 0.00 2.62 2.77 0.00 0.00 6.97 8.06 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 0.00 148 D 10.07 4.25 0.00 2.66 2.59 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 0.00 0.00 0.00 0.00 149 G 8.24 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 0.00 150 P 0.00 4.42 0.00 2.06 2.00 0.00 3.63 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 2.02 2.06 0.00 151 V 8.07 4.42 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 1.19 0.00 0.00 0.83 0.00 0.00 152 T 8.70 5.17 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 153 I 8.94 4.62 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.15 0.91 0.00 0.00 154 Y 8.73 5.26 0.00 2.89 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 0.00 155 I 7.81 4.29 1.76 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 1.10 0.49 0.98 0.00 0.00 156 D 8.04 5.13 0.00 2.53 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 0.00 157 T 8.49 3.75 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 1.30 0.00 0.00 158 H 7.99 4.84 0.00 3.53 3.34 0.00 5.61 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 9.15 4.30 0.00 2.37 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.