NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 R 4.3045 8.2549 120.8640 56.2739 30.7715 174.5202 10 I 4.0927 7.4616 120.3102 60.3031 38.7168 175.0799 11 A 5.0315 9.3458 128.5785 50.9199 21.7250 175.9461 12 G 4.6325 9.3996 106.5772 44.7297 0.0000 171.6870 13 F 5.2601 9.2781 122.6971 56.6970 42.8554 173.0745 14 R 4.8598 8.6232 128.0803 54.7208 31.4437 174.9670 15 F 5.0102 8.4909 120.8704 55.3055 41.8168 173.4752 16 S 4.5493 8.7642 115.1767 56.4835 66.1227 173.5616 17 L 4.7541 7.9927 122.0703 53.1956 44.0899 175.6734 18 Y 4.6110 8.9724 122.0264 56.0539 39.6566 172.9908 19 P 4.9668 0.0000 0.0000 61.9698 32.4223 175.4931 *21 T 4.1949 8.1531 114.7574 62.7466 68.2248 175.3764 22 D 4.5664 8.8221 126.6794 57.5631 41.3396 176.6388 23 D 4.7054 8.1955 118.1786 54.3501 41.3060 178.0495 24 F 4.3154 8.0877 116.4565 59.5352 37.6758 176.8347 25 I 3.4860 6.4815 119.7546 64.1867 36.8135 178.1837 26 S 4.0421 7.7802 113.3538 61.1570 62.2852 176.0592 27 V 3.5752 7.6739 120.7127 66.0395 31.2691 178.1529 28 I 3.6871 7.7734 119.3966 64.2624 37.0132 178.1310 29 K 3.8165 7.9702 120.4534 59.6952 31.8817 178.6352 30 S 4.0263 8.3555 113.1789 61.2938 61.9557 175.9070 31 A 3.9912 7.9921 123.4566 55.1976 17.9192 179.6262 32 L 4.0292 7.7609 116.0678 57.9962 41.8023 179.3839 33 A 4.1018 7.9854 119.3646 55.0139 18.3545 179.2802 34 A 3.9612 8.0530 118.8416 54.2937 18.8176 178.5497 35 T 3.9505 6.9007 112.6714 63.3444 69.0210 174.3972 36 D 4.4977 8.9763 125.9994 54.6214 39.7338 175.3116 37 T 4.6110 8.2436 116.5256 61.3079 69.1468 177.0391 38 S 4.2941 8.3344 118.6378 60.9659 63.1886 174.9318 39 K 4.4913 8.0293 118.3307 56.1599 32.4026 176.0956 40 V 4.7994 7.3413 111.2189 59.0248 35.1138 175.2638 41 W 3.9358 8.8834 134.9432 57.2300 31.6566 175.0486 42 T 5.4146 7.4056 115.8011 58.6575 71.5811 173.1569 43 K 4.1781 7.9478 123.8166 55.2244 35.5882 174.4958 44 T 4.9411 8.4538 124.0220 61.9157 71.3720 173.3867 45 D 4.9591 8.6413 124.8959 51.8402 42.3288 175.4578 46 H 4.4223 8.7917 112.7920 57.0294 29.1151 175.5299 47 I 4.1453 8.3178 121.1108 62.6419 38.6772 175.0891 48 S 4.4128 7.4459 111.1946 57.6359 66.9712 173.1393 49 T 4.8997 8.1230 116.3603 61.4720 71.8025 173.7497 50 V 4.8801 8.5847 125.2963 59.9306 34.2549 174.4748 51 L 5.4855 9.0552 123.6492 53.1805 44.8919 175.6903 52 R 5.0807 9.8110 121.4005 53.9218 34.4718 175.8167 53 G 4.2222 8.2061 108.8264 45.4069 0.0000 172.2633 54 S 4.6804 8.0258 115.1398 58.0445 65.1914 174.9211 55 I 3.9000 8.4468 123.5664 64.8700 36.9238 178.1354 56 D 4.4060 8.2042 118.9603 58.1084 40.7228 178.7539 57 H 4.3683 8.2449 116.3553 58.5146 28.6318 178.1851 58 V 3.6445 8.1623 120.3679 66.1908 31.4643 178.2268 59 F 3.9044 8.4567 117.5767 60.2735 38.7212 177.2466 60 D 4.2606 8.3422 117.6596 57.2478 41.0009 178.2103 61 A 3.9446 8.1880 121.0676 55.0140 18.4447 179.4144 62 A 3.6865 8.0135 119.4112 55.1015 18.4045 179.7808 63 K 2.4800 7.6203 117.7762 58.9858 32.0592 178.8239 64 A 3.8310 7.6392 120.8266 55.1338 18.2621 179.5561 65 I 3.6430 7.8092 118.4050 64.6800 36.9793 177.8193 66 Y 4.0895 7.8045 120.0777 60.8818 38.6277 178.3807 67 L 3.9251 8.0493 119.7002 58.0600 41.4896 179.2527 68 H 4.1835 8.0736 114.9528 58.7060 28.9702 177.4032 69 A 4.0953 8.1436 122.3442 55.2454 18.2919 179.4859 70 A 3.8278 8.0924 119.5587 55.1776 18.1629 178.7264 71 N 4.6365 7.8641 112.1297 53.9533 38.8910 177.0432 72 S 4.1685 7.8685 116.4634 59.3601 63.1801 175.2149 73 E 3.8449 8.0932 119.8236 56.6923 28.1107 174.6004 74 Q 4.2421 7.7375 117.7568 55.2380 29.5465 175.1615 75 H 4.7764 8.7164 120.7633 56.6173 30.2775 174.4792 76 I 4.9296 8.6911 118.8967 59.4638 41.2323 174.8235 77 V 5.2935 8.3058 123.6762 60.7643 35.3563 172.8536 *79 N 5.0619 8.7236 116.5424 54.0776 40.4072 175.0540 80 G 4.2597 8.8808 112.0116 45.9399 0.0000 171.3249 81 T 5.1501 8.6702 116.0506 61.7696 72.0622 173.9908 82 F 5.2280 9.1596 125.3378 57.1854 40.8447 174.7265 83 S 5.4964 9.5220 116.5620 57.2982 66.3491 172.4393 84 I 4.8277 9.0880 125.0306 60.9492 41.6213 175.4799 85 G 4.4597 9.3891 115.2910 46.4941 0.0000 173.2956 86 C 3.6452 7.7991 115.3762 56.9064 30.0653 171.4276 87 P 4.3422 0.0000 0.0000 64.3846 31.1765 176.7332 88 G 3.8714 8.8926 110.8868 44.8633 0.0000 172.7559 89 D 4.2201 7.7082 118.7763 54.6825 41.4685 176.5847 90 T 3.9568 8.2892 120.3898 62.4903 67.8433 173.7405 91 Q 4.1709 8.5142 123.9849 56.7952 28.9271 176.2446 92 G 3.9035 7.9406 108.3310 45.6821 0.0000 172.7419 93 D 3.3700 8.1629 115.0142 54.9255 38.2468 173.7133 94 T 4.5141 6.6741 106.6532 60.1958 71.7536 173.9724 95 Y 4.6500 7.8919 119.7680 56.8625 39.0377 174.3272 *100 D 4.5889 8.0969 130.3941 53.8822 41.6554 176.0036 101 K 3.9313 8.6989 126.9257 57.6900 32.8392 177.6543 102 R 4.2604 8.4250 125.3912 55.4223 28.6829 177.4152 103 V 3.7816 8.2256 116.7559 63.5810 32.1036 177.3897 104 N 4.6499 8.4478 116.2730 54.0848 39.1649 176.8312 105 E 3.9103 8.0487 119.1741 59.2630 30.1750 177.6608 106 D 4.3926 8.2689 117.5357 57.2214 41.5809 177.7586 107 A 4.0263 8.1119 120.1850 54.7522 18.5717 178.2863 108 V 4.3009 7.7501 107.2143 60.9976 32.0408 177.9825 109 R 3.8565 7.9295 118.8405 58.6618 29.1764 177.7547 110 G 3.9278 7.9202 104.5680 45.2008 0.0000 173.4004 111 L 4.4522 7.7004 120.4066 53.8973 42.6453 176.2872 112 K 4.7772 8.0885 119.6049 55.0755 36.3147 175.5065 113 A 4.6342 8.7217 119.7023 50.9738 22.9029 176.0849 114 E 4.5627 9.0485 121.2474 55.8831 30.3948 176.9169 115 A 5.0987 8.7116 122.8761 48.8410 18.0785 174.9142 116 P 4.5196 0.0000 0.0000 63.2706 33.1378 176.8416 117 C 5.2836 9.0584 121.9893 58.1790 35.8228 172.2154 118 Q 5.3947 9.0643 124.8205 54.2481 30.9219 174.6863 119 F 5.6303 9.4038 117.6549 55.4204 42.1144 173.3526 120 A 4.4373 8.7032 120.9549 50.2615 21.9568 175.2144 121 L 4.4293 8.0530 124.3241 53.7789 44.1007 176.0919 122 Y 4.9143 8.9554 123.5830 55.7515 39.0008 173.5666 123 P 4.6709 0.0000 0.0000 61.6548 33.3024 175.8159 *125 N 4.3658 8.1731 115.4000 53.7164 39.8151 175.1331 126 E 4.5274 7.5277 118.9019 53.6952 31.6887 173.4922 127 P 4.4317 0.0000 0.0000 65.3745 31.9006 176.9899 128 D 4.9518 8.5729 117.6461 54.3070 41.1711 178.4285 129 Y 4.6065 8.0420 117.8323 56.7552 37.1717 178.6375 *131 G 3.8116 8.2282 110.6329 46.7391 0.0000 175.0468 132 L 4.1097 7.8023 119.7208 57.7625 41.8986 180.3822 133 I 3.9476 7.8656 117.0585 61.7797 36.3415 177.5133 *135 E 4.1234 8.3492 123.3435 56.1985 31.4704 177.4478 136 A 4.1237 8.2528 120.6214 55.3610 18.2865 179.7833 137 V 3.4516 7.6851 116.5491 66.2057 31.4807 177.9228 138 D 4.2044 7.5481 117.2185 57.2865 40.6119 178.8975 139 I 3.6425 7.7238 119.5682 64.3697 37.2155 178.1432 140 A 4.0635 8.1137 121.5597 55.0346 18.3089 179.8785 141 K 3.9367 8.2748 117.0509 59.6605 31.9341 179.4623 142 A 4.0282 7.9428 119.7851 54.9263 18.4790 178.8861 143 Q 4.2711 8.2812 114.8166 56.1330 28.8910 177.5703 144 G 4.1006 7.9410 108.4587 45.4509 0.0000 174.0194 145 T 4.5709 7.8104 109.8239 61.7504 70.7378 174.5603 146 F 4.5165 8.3571 125.4775 58.8193 39.5765 173.8575 147 V 4.0760 7.9153 126.5303 63.0191 32.1183 175.3875 148 Q 4.1518 6.3845 115.1947 55.1296 31.5401 172.2543 149 G 4.2696 8.7191 107.1732 45.7908 0.0000 173.3441 150 V 4.5366 8.4674 115.3094 58.7110 35.6289 174.8493 151 H 3.6659 8.3527 117.7849 57.8089 28.4165 175.6982 152 Y 3.8766 9.3306 120.1703 58.0605 35.5190 168.3176 153 A 4.5608 7.4903 120.2325 51.5054 23.3933 175.7610 154 S 5.0077 8.4613 115.2307 56.9604 66.2389 173.2451 155 E 5.2028 8.8931 122.0551 54.7791 31.9128 175.3316 156 L 5.2687 8.8206 123.6407 53.4411 45.3499 174.7002 157 D 4.7264 8.7768 119.4075 53.6585 45.0623 174.2037 158 G 3.9024 8.5647 107.0129 43.6217 0.0000 172.6396 159 D 4.9217 8.4643 118.1486 53.6300 43.2109 176.8244 160 A 4.1422 8.9289 127.0270 56.0005 18.4519 180.0219 161 H 4.1912 8.4237 114.1103 59.2599 28.7806 177.8195 162 D 4.3792 8.0819 120.1317 57.1310 40.7755 178.8869 163 V 3.4557 7.9340 118.7823 66.0803 31.5893 178.1917 164 F 3.9168 8.6199 117.9339 60.4014 38.6364 177.6400 165 S 4.0310 8.1389 112.9280 61.5240 62.1418 176.3614 166 T 4.1263 7.8038 119.7466 66.0909 68.1881 176.5983 167 L 3.6642 7.7450 120.9492 57.6264 41.4981 179.2702 168 E 2.6087 7.8865 118.8915 58.6846 29.2192 178.6035 169 A 3.8634 7.5737 119.6592 55.1087 18.4816 179.4555 170 V 3.6903 7.5901 115.5760 66.1797 31.8941 177.7131 171 F 4.3792 8.1734 120.3814 61.2002 39.2071 177.6324 172 R 4.2585 8.2409 115.9018 56.6223 29.8683 178.3903 *174 A 4.2522 8.0291 124.3353 52.1420 20.3967 179.7427 175 E 3.9629 8.0224 112.7105 58.8644 29.9856 178.4276 176 Q 4.1004 7.8511 118.4263 58.3572 28.9127 177.1593 177 Q 4.3469 7.8024 115.2176 57.1121 29.7061 176.0395 178 T 4.7162 7.5311 112.4786 61.5228 72.7324 173.6930 179 N 4.4062 9.0433 123.3678 56.0369 38.8416 174.4134 180 H 5.4623 8.1281 117.0821 54.1114 32.0231 172.5052 181 I 4.9184 8.5508 119.9849 59.2483 40.7882 174.6946 182 T 6.2712 8.6973 112.1798 59.6477 72.2418 172.4883 *184 T 4.9144 8.3411 109.3975 62.5981 70.7090 173.3221 185 V 5.0844 9.0104 115.4388 60.1063 36.8758 174.5707 186 N 5.2079 9.1109 121.7291 52.5494 41.7206 172.6722 187 L 5.2724 8.6668 126.3215 52.7915 44.9846 175.4070 188 S 5.1684 9.0386 118.5981 56.4586 64.5863 172.8424 189 A 4.8355 9.1623 129.1050 50.6685 21.8517 175.8701 190 N 4.2033 8.9777 117.0660 53.9750 36.3887 174.8701 191 S 3.8245 8.1232 111.4060 57.5195 63.2378 171.8690 192 P 4.4109 0.0000 0.0000 62.9232 31.0182 176.1980 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 9 R 8.25 4.30 0.00 1.81 1.98 0.00 3.21 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 10 I 7.46 4.09 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.78 0.92 0.00 0.00 11 A 9.35 5.03 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 12 G 9.40 4.63 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 0.00 0.00 0.00 13 F 9.28 5.26 0.00 2.64 2.75 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 14 R 8.62 4.86 0.00 1.88 1.67 0.00 3.05 0.00 0.00 3.13 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.38 0.00 15 F 8.49 5.01 0.00 2.78 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.76 4.55 0.00 3.27 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 17 L 7.99 4.75 0.00 1.46 1.53 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.97 4.61 0.00 2.96 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 19 P 0.00 4.97 0.00 2.20 2.01 0.00 3.83 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.14 0.00 *21 T 8.15 4.19 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 1.27 0.00 0.00 22 D 8.82 4.57 0.00 2.74 2.78 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 0.00 0.00 0.00 0.00 23 D 8.20 4.71 0.00 2.80 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 24 F 8.09 4.32 0.00 3.38 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 25 I 6.48 3.49 1.51 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 1.24 -0.36 0.78 0.00 0.00 26 S 7.78 4.04 0.00 3.82 4.17 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 27 V 7.67 3.58 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 1.00 0.00 0.00 1.00 0.00 0.00 28 I 7.77 3.69 1.89 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 1.44 0.55 0.90 0.00 0.00 29 K 7.97 3.82 0.00 1.90 1.78 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.43 7.81 30 S 8.36 4.03 0.00 3.95 4.01 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 0.00 0.00 0.00 31 A 7.99 3.99 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.76 4.03 0.00 1.66 1.77 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.99 4.10 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.05 3.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 6.90 3.95 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 1.30 0.00 0.00 36 D 8.98 4.50 0.00 2.66 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 37 T 8.24 4.61 4.29 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 1.25 0.00 0.00 38 S 8.33 4.29 0.00 4.04 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.03 4.49 0.00 1.77 1.60 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.37 7.81 40 V 7.34 4.80 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 0.75 0.00 0.00 1.04 0.00 0.00 41 W 8.88 3.94 0.00 2.79 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 42 T 7.41 5.41 4.10 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 1.24 0.00 0.00 43 K 7.95 4.18 0.00 0.97 1.43 0.00 1.89 0.00 0.00 1.91 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.31 1.31 7.81 44 T 8.45 4.94 4.13 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 1.09 0.00 0.00 45 D 8.64 4.96 0.00 2.81 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 46 H 8.79 4.42 0.00 3.27 3.45 0.00 5.68 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 47 I 8.32 4.15 1.82 0.00 0.00 0.76 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 0.16 0.84 0.00 0.00 48 S 7.45 4.41 0.00 3.72 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 49 T 8.12 4.90 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 1.17 0.00 0.00 50 V 8.58 4.88 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 0.95 0.00 0.00 1.05 0.00 0.00 51 L 9.06 5.49 0.00 1.75 1.71 1.04 1.14 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 52 R 9.81 5.08 0.00 1.96 1.79 0.00 3.22 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 53 G 8.21 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 0.00 0.00 0.00 0.00 54 S 8.03 4.68 0.00 4.15 4.13 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 55 I 8.45 3.90 1.99 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.82 1.09 0.00 0.00 56 D 8.20 4.41 0.00 2.64 2.65 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 57 H 8.24 4.37 0.00 3.35 3.42 0.00 5.81 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 58 V 8.16 3.64 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 1.10 0.00 0.00 1.11 0.00 0.00 59 F 8.46 3.90 0.00 3.19 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.34 4.26 0.00 2.84 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 61 A 8.19 3.94 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 62 A 8.01 3.69 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.62 2.48 0.00 0.93 1.42 0.00 1.45 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.06 0.70 7.81 64 A 7.64 3.83 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 65 I 7.81 3.64 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.65 0.98 0.00 0.00 66 Y 7.80 4.09 0.00 3.22 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 67 L 8.05 3.93 0.00 1.73 1.60 0.75 0.98 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 68 H 8.07 4.18 0.00 3.11 3.33 0.00 5.66 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.14 4.10 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.09 3.83 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.86 4.64 0.00 2.84 2.87 0.00 0.00 7.06 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 72 S 7.87 4.17 0.00 4.04 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 9.52 5.50 0.00 4.04 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 84 I 9.09 4.83 2.28 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 1.25 1.44 0.80 0.00 0.00 85 G 9.39 4.46 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 86 C 7.80 3.65 0.00 2.93 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 87 P 0.00 4.34 0.00 2.04 2.04 0.00 3.59 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 2.03 2.09 0.00 88 G 8.89 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 0.00 0.00 0.00 89 D 7.71 4.22 0.00 2.85 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 90 T 8.29 3.96 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 103 V 8.23 3.78 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 0.81 0.00 0.00 1.14 0.00 0.00 104 N 8.45 4.65 0.00 3.07 2.84 0.00 0.00 6.45 7.13 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 0.00 105 E 8.05 3.91 0.00 1.96 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 2.32 2.26 0.00 106 D 8.27 4.39 0.00 2.72 2.64 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 0.00 107 A 8.11 4.03 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 0.00 108 V 7.75 4.30 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 0.69 0.00 0.00 1.00 0.00 0.00 109 R 7.93 3.86 0.00 1.91 2.35 0.00 3.04 0.00 0.00 3.51 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 110 G 7.92 3.93 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 0.00 0.00 0.00 111 L 7.70 4.45 0.00 1.75 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0.00 139 I 7.72 3.64 2.01 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 1.54 0.82 0.88 0.00 0.00 140 A 8.11 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.27 3.94 0.00 1.81 1.80 0.00 1.27 0.00 0.00 1.46 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 0.92 7.81 142 A 7.94 4.03 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 0.00 143 Q 8.28 4.27 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.49 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 144 G 7.94 4.10 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 0.00 0.00 0.00 145 T 7.81 4.57 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 1.19 0.00 0.00 146 F 8.36 4.52 0.00 3.00 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 0.00 147 V 7.92 4.08 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 0.71 0.00 0.00 0.84 0.00 0.00 148 Q 6.38 4.15 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 149 G 8.72 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 0.00 0.00 0.00 0.00 150 V 8.47 4.54 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 0.98 0.00 0.00 0.96 0.00 0.00 151 H 8.35 3.67 0.00 2.83 2.01 0.00 5.98 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Y 9.33 3.88 0.00 3.26 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 0.00 153 A 7.49 4.56 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 0.00 154 S 8.46 5.01 0.00 3.44 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 E 8.89 5.20 0.00 1.82 1.74 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 2.22 2.21 0.00 156 L 8.82 5.27 0.00 1.45 1.45 0.29 1.03 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 0.00 157 D 8.78 4.73 0.00 2.61 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 0.00 158 G 8.56 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 0.00 0.00 0.00 159 D 8.46 4.92 0.00 2.85 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 A 8.93 4.14 1.59 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 0.00 0.00 161 H 8.42 4.19 0.00 3.32 3.39 0.00 5.81 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 0.00 162 D 8.08 4.38 0.00 2.83 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 0.00 163 V 7.93 3.46 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 0.76 0.00 0.00 0.94 0.00 0.00 164 F 8.62 3.92 0.00 3.21 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 0.00 165 S 8.14 4.03 0.00 3.90 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 0.00 166 T 7.80 4.13 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 1.08 0.00 0.00 167 L 7.75 3.66 0.00 1.60 1.52 0.37 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 168 E 7.89 2.61 0.00 1.16 1.49 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 1.86 1.47 0.00 169 A 7.57 3.86 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 0.00 170 V 7.59 3.69 2.27 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 1.04 0.00 0.00 1.07 0.00 0.00 171 F 8.17 4.38 0.00 3.21 2.99 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 0.00 0.00 0.00 172 R 8.24 4.26 0.00 2.01 1.88 0.00 3.11 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 *174 A 8.03 4.25 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 0.00 175 E 8.02 3.96 0.00 1.88 1.65 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 2.17 2.48 0.00 176 Q 7.85 4.10 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 177 Q 7.80 4.35 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 178 T 7.53 4.72 4.33 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 1.28 0.00 0.00 179 N 9.04 4.41 0.00 2.77 2.88 0.00 0.00 6.52 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 0.00 180 H 8.13 5.46 0.00 3.19 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 I 8.55 4.92 1.86 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.41 0.85 0.00 0.00 182 T 8.70 6.27 4.56 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 1.35 0.00 0.00 *184 T 8.34 4.91 4.43 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 1.50 0.00 0.00 185 V 9.01 5.08 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 0.97 0.00 0.00 1.19 0.00 0.00 186 N 9.11 5.21 0.00 2.86 2.83 0.00 0.00 7.09 6.08 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 0.00 187 L 8.67 5.27 0.00 1.57 1.21 0.72 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 188 S 9.04 5.17 0.00 3.97 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 0.00 189 A 9.16 4.84 1.16 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 0.00 0.00 190 N 8.98 4.20 0.00 3.05 2.93 0.00 0.00 6.94 7.57 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 0.00 191 S 8.12 3.82 0.00 3.84 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 P 0.00 4.41 0.00 2.06 1.94 0.00 3.63 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 * Residues marked with a * may have inaccurate shift predictions.