NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 30 L 4.3179 8.1849 122.4939 54.6679 43.7097 177.6350 31 I 3.5239 8.2209 119.8679 62.3542 37.1927 174.3142 32 N 4.7606 8.6023 122.4617 50.6263 40.3852 171.2723 33 P 4.4080 0.0000 0.0000 64.0017 31.9060 177.4583 34 G 3.9899 9.0240 109.5273 45.9265 0.0000 173.5837 35 H 4.6204 7.6949 114.8643 55.0858 29.1041 174.3952 36 A 4.1356 8.0277 122.3284 53.3546 18.6038 178.3872 37 Q 4.7024 8.7664 120.3783 55.8212 30.6339 175.6922 38 V 4.8929 7.7100 119.1395 60.8473 34.8600 173.9136 39 L 5.1606 8.8356 127.4827 53.0841 44.3062 175.2897 40 I 4.8123 8.7434 125.1417 59.6619 39.6085 174.8505 41 L 4.6429 9.1345 129.3949 56.2058 43.0495 177.2139 42 G 4.0635 8.9618 110.6889 44.7249 0.0000 171.3947 *44 G 4.1541 8.0253 104.7467 45.4201 0.0000 173.3479 45 R 3.9402 8.5272 116.5121 59.3283 29.9371 178.8351 46 I 3.7787 7.7885 119.3839 64.3279 37.2718 178.2227 47 G 4.2106 8.0269 107.1662 47.7026 0.0000 175.4700 48 T 4.0177 8.2205 118.2773 66.2054 68.5106 176.9639 49 G 3.6669 8.3600 107.5568 47.8344 0.0000 175.5689 50 A 4.0028 8.1872 123.4082 54.8315 18.3931 178.9144 51 Y 3.8848 8.5633 118.3988 61.1944 38.8913 178.2665 52 D 4.5280 8.7123 120.0479 57.3025 41.0057 178.5488 53 E 3.8912 8.2147 119.7684 59.3127 29.7217 178.8799 54 L 4.1255 7.9684 119.0558 57.7368 41.6232 179.4793 55 R 4.1460 8.2829 119.8188 58.8320 29.7930 178.3102 56 A 3.9415 7.7019 119.4762 55.0527 18.3887 179.2386 57 R 3.8170 7.5454 115.4159 58.7581 30.4471 177.3413 58 Y 4.6627 8.1686 112.7769 58.5262 39.6510 177.9480 59 G 3.8244 8.5501 109.0061 45.8246 0.0000 174.3382 60 K 4.4969 8.4300 115.2550 55.1985 30.8025 176.1111 61 I 4.4435 7.4480 111.0181 60.5114 39.5329 176.2901 62 S 5.3283 7.9159 118.2825 56.8526 65.6810 173.0644 63 L 4.9560 9.0596 124.9300 53.3696 44.9167 175.4108 64 G 4.3775 9.1153 113.7203 45.0704 0.0000 172.3071 65 I 5.1698 8.7553 124.2074 59.1922 40.3901 174.3974 66 E 4.6830 8.7493 126.7925 54.5251 32.2035 176.0578 67 I 3.7808 8.5310 126.9505 63.2134 38.6581 176.4280 68 R 4.1121 8.3869 120.8307 55.2953 30.3025 176.7337 69 E 3.8719 8.7149 125.5129 59.1768 29.6507 178.0086 70 E 3.8594 8.2105 118.5557 59.4268 29.6901 178.5148 71 A 3.8972 7.9755 119.8453 55.1273 18.4642 179.3247 72 A 3.9844 8.0501 119.2614 55.4381 18.3957 179.9560 73 Q 3.9504 8.4243 117.0092 59.0069 28.7459 178.6964 74 Q 3.8978 8.3893 121.0358 59.3770 28.9837 177.8701 75 H 4.2341 8.1521 117.2485 59.0491 28.7573 177.9737 76 R 4.1583 7.9257 121.0524 58.9154 29.6706 179.2735 77 S 4.1853 8.0707 114.0616 61.4239 62.8867 175.7584 78 E 4.3333 7.8776 118.4634 56.3577 29.3618 177.5759 79 G 3.9393 7.9820 107.5869 45.3361 0.0000 173.7894 80 R 4.3092 7.9164 119.0469 55.0538 32.2335 175.7842 81 N 4.8257 9.4666 122.2626 52.8645 38.5816 173.1785 82 V 5.0545 7.9946 123.2485 60.6497 35.2105 173.8548 83 I 4.8505 8.6013 120.0027 59.0369 41.1760 174.4618 84 S 5.5844 8.2154 117.2646 56.3025 64.7811 173.5409 85 G 3.0975 7.3295 109.5551 46.1833 0.0000 170.6932 86 D 4.8356 6.6238 118.8902 52.0276 41.8915 176.2867 87 A 4.3065 8.5494 129.8167 53.8122 18.5707 177.9601 88 T 4.5821 8.4772 105.6466 61.4800 69.8296 174.6383 89 D 4.8138 8.2572 123.7846 52.5001 42.2398 174.6545 90 P 4.6569 0.0000 0.0000 65.6595 31.0854 177.8543 91 D 4.3874 8.4122 117.2033 56.8872 41.1433 177.8102 92 F 4.3110 8.3085 121.0210 60.8996 39.3955 176.8539 93 W 3.9459 8.1615 118.2758 59.8865 28.7185 178.1526 94 E 3.9719 8.4532 117.9946 59.2270 29.1647 178.3518 95 R 4.1336 8.3013 118.1394 58.0840 30.2968 176.0338 96 I 4.1727 7.4238 115.6500 62.8121 39.2709 176.9977 97 L 3.7682 7.1142 118.1648 57.2208 41.7487 177.5424 98 D 4.7618 7.9709 119.5668 53.5694 39.2257 175.4088 99 T 4.0356 7.9178 112.2035 61.5395 69.9127 177.1108 100 G 3.8956 8.4246 109.5933 45.6753 0.0000 173.2928 101 H 4.7159 7.8675 115.9373 55.6306 29.7758 174.7389 102 V 4.1507 7.7871 120.2634 62.5632 31.9491 175.2641 103 K 4.5351 9.3141 126.5427 57.0752 34.4395 176.1352 104 L 5.2300 7.8187 121.1916 53.4742 45.9165 174.6413 105 V 4.8686 8.8271 125.5080 61.1273 34.5893 173.8300 106 L 5.0638 9.0948 128.2649 53.2340 44.1443 175.4542 107 L 4.8710 9.0979 124.8101 53.4611 43.0244 175.7924 108 A 4.4536 8.8551 127.3802 49.4045 20.3063 173.9772 *110 P 4.2221 0.0000 0.0000 63.1282 33.4198 176.3122 111 H 4.8844 7.7355 115.9156 55.1120 31.3765 173.1201 112 H 3.8751 9.1896 114.7283 57.3781 26.2633 175.3599 113 Q 3.5861 8.5036 113.3907 56.9213 26.7399 176.0708 114 G 3.7086 8.1745 106.8470 48.1435 0.0000 175.8179 115 N 4.3541 8.2292 118.9760 56.3317 38.6316 177.4335 116 Q 4.0385 8.0337 118.6191 59.0509 28.7457 178.7250 117 T 4.0473 8.2080 116.7873 66.5853 68.5553 176.7210 118 A 4.3641 8.2915 124.3205 54.4641 18.3920 179.2714 119 L 3.8056 8.0848 118.9209 58.3784 42.2612 178.8720 120 E 3.8908 8.1757 118.3362 59.7687 28.9556 179.5551 121 Q 3.7682 7.6433 117.7365 58.6583 28.8132 178.6057 122 L 2.9551 7.1935 121.1806 57.9790 41.8278 179.1556 123 Q 4.0161 7.7619 116.6796 58.8027 28.6569 178.6336 124 R 4.0262 7.5715 117.9127 58.5561 30.1381 178.2714 125 R 4.1313 7.5260 115.5633 55.4939 30.7391 175.4052 126 N 4.1238 8.1209 115.7857 54.5673 37.1659 173.4478 127 Y 4.3131 7.9373 118.3810 57.4061 39.3949 175.3205 128 K 4.2720 8.1198 125.5540 56.1663 33.4240 177.0388 129 G 3.6671 5.3800 107.6721 44.0996 0.0000 172.8401 130 Q 4.9353 8.4740 118.1656 54.7408 31.6273 175.1415 131 I 5.3157 9.2542 121.2192 59.7832 41.4828 174.4449 132 A 5.3636 9.2940 126.9354 50.2678 22.9667 174.6593 133 A 5.2313 9.0359 120.5181 50.1682 23.2126 174.8883 134 I 5.1463 8.4162 119.2374 59.1875 40.5432 174.6601 135 A 4.7466 9.0851 130.1283 50.0734 22.2260 176.6339 136 E 3.5301 8.8859 120.0126 58.1961 30.1723 177.1690 137 Y 5.0069 8.0226 114.8460 54.6075 42.7408 174.3013 138 P 4.3151 0.0000 0.0000 66.3574 31.5794 178.7488 139 D 4.4510 8.1725 116.7635 56.3542 39.2390 178.4646 140 Q 4.0040 8.1089 119.4230 58.8574 28.8619 178.1295 141 L 3.9792 7.7245 120.0910 57.8580 41.6117 179.4791 142 E 4.0526 8.0798 118.3730 59.4629 29.4546 179.7110 143 G 3.6071 8.0381 105.6001 47.6382 0.0000 175.7345 144 L 4.0070 7.9149 121.2985 57.6673 41.6964 179.6237 145 L 3.9877 7.9725 118.8235 57.8995 41.3234 179.4546 146 E 4.0163 8.1638 117.5527 59.2521 29.4822 178.7400 147 S 4.5141 7.8139 112.4476 58.4523 63.1651 174.7656 148 G 4.1545 7.6256 110.4241 45.2496 0.0000 174.7738 149 V 3.8763 7.3884 112.6199 61.2643 32.0874 176.2523 150 D 4.6785 8.8130 123.1710 56.9049 41.6474 176.9549 151 A 4.6700 7.8284 118.4448 50.3164 22.7062 175.1220 152 A 5.1912 7.9258 121.9340 50.2636 22.6077 175.2746 153 F 4.8687 8.9123 117.6814 55.7482 44.2543 173.1836 154 N 5.1170 8.7101 119.5217 52.7150 40.1786 175.3985 155 I 3.5129 8.5178 128.2059 65.1138 37.2497 178.2041 156 Y 4.3152 7.4922 116.4782 60.9406 37.9354 178.2127 157 S 4.2261 8.5034 116.3034 61.6735 62.9706 176.5054 158 E 3.9923 8.3403 121.0813 59.3994 29.1412 179.3017 159 A 4.1605 8.2450 120.9901 55.0614 18.4111 180.0090 160 G 3.6980 8.3097 104.3886 47.8602 0.0000 175.8900 161 S 4.2292 8.1611 115.6016 61.1725 62.4039 176.5405 162 G 3.6485 8.2609 108.3372 47.6685 0.0000 175.0846 163 F 4.4760 8.7656 123.5770 61.3877 39.3718 177.1687 164 A 3.7206 8.0930 120.0762 54.9913 18.0683 179.8790 165 R 3.8158 7.9442 116.3098 59.8063 30.1520 178.7778 166 H 4.2164 8.6477 118.4287 59.1819 29.7117 177.4387 167 V 3.5462 8.0676 120.3203 66.3157 31.3668 177.9408 168 C 4.1191 8.0701 116.3919 62.2848 27.6329 176.1187 169 K 3.8878 8.0289 120.9162 59.5719 31.9830 178.4240 170 Q 4.0842 8.1802 118.6457 58.8541 29.1770 177.3764 171 L 4.2539 8.0233 117.3490 54.0421 43.5614 176.5012 172 E 3.7443 7.7467 117.6837 56.4019 27.2299 173.6665 173 P 4.0237 0.0000 0.0000 62.9297 32.2154 177.7521 174 Q 4.1391 7.9417 120.7828 54.8718 27.5137 175.9224 175 F 4.6831 7.9512 119.8608 57.5434 39.1055 175.9908 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 30 L 8.18 4.32 0.00 1.63 1.75 0.94 0.75 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 31 I 8.22 3.52 1.86 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 1.30 0.76 0.89 0.00 0.00 32 N 8.60 4.76 0.00 2.57 2.53 0.00 0.00 7.16 7.71 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 33 P 0.00 4.41 0.00 2.09 1.99 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 34 G 9.02 3.99 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 0.00 0.00 0.00 35 H 7.69 4.62 0.00 3.26 3.20 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.03 4.14 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 37 Q 8.77 4.70 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 38 V 7.71 4.89 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 1.05 0.00 0.00 0.83 0.00 0.00 39 L 8.84 5.16 0.00 1.64 1.55 0.80 0.49 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 40 I 8.74 4.81 1.96 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.83 1.07 0.00 0.00 41 L 9.13 4.64 0.00 1.63 1.69 1.24 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.96 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 0.00 0.00 0.00 *44 G 8.03 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 45 R 8.53 3.94 0.00 1.87 2.01 0.00 3.14 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 46 I 7.79 3.78 1.87 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 1.53 0.70 0.89 0.00 0.00 47 G 8.03 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.22 4.02 4.42 0.00 0.00 0.00 0.00 0.00 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 49 G 8.36 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.19 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.56 3.88 0.00 3.15 3.13 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 52 D 8.71 4.53 0.00 2.78 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 53 E 8.21 3.89 0.00 2.18 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 2.28 2.37 0.00 54 L 7.97 4.13 0.00 1.78 1.74 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.28 4.15 0.00 1.67 2.01 0.00 3.17 0.00 0.00 3.38 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.50 0.00 56 A 7.70 3.94 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 57 R 7.55 3.82 0.00 1.55 1.38 0.00 2.95 0.00 0.00 2.80 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.14 0.00 58 Y 8.17 4.66 0.00 2.89 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 59 G 8.55 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 60 K 8.43 4.50 0.00 1.77 1.85 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.43 7.81 61 I 7.45 4.44 1.81 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.81 0.92 0.00 0.00 62 S 7.92 5.33 0.00 3.33 3.69 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 63 L 9.06 4.96 0.00 1.71 1.48 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 64 G 9.12 4.38 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 0.00 65 I 8.76 5.17 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 1.09 0.94 0.99 0.00 0.00 66 E 8.75 4.68 0.00 2.05 1.72 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 2.21 2.45 0.00 67 I 8.53 3.78 1.82 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 1.36 1.71 0.88 0.00 0.00 68 R 8.39 4.11 0.00 2.04 1.84 0.00 3.17 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 69 E 8.71 3.87 0.00 2.03 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 2.35 2.41 0.00 70 E 8.21 3.86 0.00 2.05 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 2.35 2.36 0.00 71 A 7.98 3.90 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 72 A 8.05 3.98 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 73 Q 8.42 3.95 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 74 Q 8.39 3.90 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.51 2.35 0.00 75 H 8.15 4.23 0.00 3.33 3.18 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.93 4.16 0.00 2.00 1.97 0.00 3.26 0.00 0.00 3.26 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 77 S 8.07 4.19 0.00 3.97 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 78 E 7.88 4.33 0.00 2.07 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 2.32 2.35 0.00 79 G 7.98 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 0.00 0.00 0.00 80 R 7.92 4.31 0.00 1.54 0.90 0.00 2.83 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.42 0.00 81 N 9.47 4.83 0.00 2.94 3.08 0.00 0.00 6.66 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 82 V 7.99 5.05 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 0.86 0.00 0.00 0.64 0.00 0.00 83 I 8.60 4.85 1.93 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 1.33 0.71 0.93 0.00 0.00 84 S 8.22 5.58 0.00 3.86 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 85 G 7.33 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 0.00 0.00 0.00 86 D 6.62 4.84 0.00 2.48 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.55 4.31 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.48 4.58 4.32 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 1.29 0.00 0.00 89 D 8.26 4.81 0.00 2.86 2.85 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 90 P 0.00 4.66 0.00 2.37 2.50 0.00 4.00 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.95 0.00 91 D 8.41 4.39 0.00 2.88 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 92 F 8.31 4.31 0.00 3.03 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 93 W 8.16 3.95 0.00 3.69 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 94 E 8.45 3.97 0.00 2.09 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 0.00 2.35 2.35 0.00 95 R 8.30 4.13 0.00 1.90 1.98 0.00 3.28 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 96 I 7.42 4.17 0.84 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 1.16 1.02 0.52 0.00 0.00 97 L 7.11 3.77 0.00 0.89 1.01 -0.63 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 98 D 7.97 4.76 0.00 2.89 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 99 T 7.92 4.04 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 100 G 8.42 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 0.00 101 H 7.87 4.72 0.00 3.21 3.31 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.79 4.15 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.02 0.00 0.00 103 K 9.31 4.54 0.00 1.68 1.80 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.54 7.81 104 L 7.82 5.23 0.00 1.74 1.45 1.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.83 4.87 2.05 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 1.08 0.00 0.00 0.71 0.00 0.00 106 L 9.09 5.06 0.00 1.63 1.60 0.94 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 107 L 9.10 4.87 0.00 1.61 1.88 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.86 4.45 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 *110 P 0.00 4.22 0.00 2.00 2.27 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.91 0.00 111 H 7.74 4.88 0.00 3.20 3.02 0.00 5.96 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 H 9.19 3.88 0.00 3.31 3.40 0.00 6.05 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 8.50 3.59 0.00 2.35 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 114 G 8.17 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.23 4.35 0.00 2.77 2.92 0.00 0.00 7.07 7.87 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 0.00 116 Q 8.03 4.04 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 117 T 8.21 4.05 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 0.00 118 A 8.29 4.36 1.51 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 0.00 0.00 119 L 8.08 3.81 0.00 1.85 1.91 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.18 3.89 0.00 2.17 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 2.31 2.65 0.00 121 Q 7.64 3.77 0.00 1.77 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.65 0.00 122 L 7.19 2.96 0.00 1.08 1.46 0.02 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 7.76 4.02 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 124 R 7.57 4.03 0.00 1.86 1.94 0.00 3.09 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 125 R 7.53 4.13 0.00 1.89 2.12 0.00 3.42 0.00 0.00 3.20 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 126 N 8.12 4.12 0.00 2.83 2.90 0.00 0.00 7.00 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 0.00 127 Y 7.94 4.31 0.00 2.97 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 0.00 128 K 8.12 4.27 0.00 1.59 1.65 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.47 7.81 129 G 5.38 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 8.47 4.94 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 131 I 9.25 5.32 1.95 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 1.30 1.04 0.95 0.00 0.00 132 A 9.29 5.36 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 0.00 133 A 9.04 5.23 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 0.00 134 I 8.42 5.15 1.93 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 1.12 1.22 0.97 0.00 0.00 135 A 9.09 4.75 1.20 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 0.00 0.00 136 E 8.89 3.53 0.00 1.65 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 1.47 1.95 0.00 137 Y 8.02 5.01 0.00 3.13 2.76 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 0.00 138 P 0.00 4.32 0.00 2.22 2.18 0.00 3.86 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 139 D 8.17 4.45 0.00 2.87 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 0.00 140 Q 8.11 4.00 0.00 2.42 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 141 L 7.72 3.98 0.00 1.85 1.69 0.89 1.03 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 0.00 142 E 8.08 4.05 0.00 2.14 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 2.33 2.56 0.00 143 G 8.04 3.61 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 0.00 0.00 0.00 144 L 7.91 4.01 0.00 1.87 1.73 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 145 L 7.97 3.99 0.00 1.82 1.68 0.85 0.76 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 0.00 146 E 8.16 4.02 0.00 2.08 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 2.34 2.53 0.00 147 S 7.81 4.51 0.00 3.84 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 7.63 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 0.00 149 V 7.39 3.88 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 0.77 0.00 0.00 0.97 0.00 0.00 150 D 8.81 4.68 0.00 2.75 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 0.00 151 A 7.83 4.67 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 0.00 152 A 7.93 5.19 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 F 8.91 4.87 0.00 2.93 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 N 8.71 5.12 0.00 2.80 2.73 0.00 0.00 6.93 7.97 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 0.00 155 I 8.52 3.51 0.92 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.41 0.42 0.00 0.00 156 Y 7.49 4.32 0.00 3.16 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 0.00 157 S 8.50 4.23 0.00 3.96 3.99 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 0.00 158 E 8.34 3.99 0.00 2.12 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 2.58 2.44 0.00 159 A 8.24 4.16 1.46 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 0.00 160 G 8.31 3.70 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 0.00 161 S 8.16 4.23 0.00 3.98 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 0.00 162 G 8.26 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 0.00 163 F 8.77 4.48 0.00 3.08 3.37 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 0.00 164 A 8.09 3.72 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 0.00 165 R 7.94 3.82 0.00 2.05 1.99 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 166 H 8.65 4.22 0.00 3.43 3.36 0.00 5.61 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 V 8.07 3.55 1.87 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 0.98 0.00 0.00 0.62 0.00 0.00 168 C 8.07 4.12 0.00 3.17 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 0.00 169 K 8.03 3.89 0.00 1.85 2.03 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.45 7.81 170 Q 8.18 4.08 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 171 L 8.02 4.25 0.00 1.65 1.63 0.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 172 E 7.75 3.74 0.00 1.96 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 2.35 2.28 0.00 173 P 0.00 4.02 0.00 0.67 1.65 0.00 3.57 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.74 0.00 174 Q 7.94 4.14 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.05 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 175 F 7.95 4.68 0.00 3.04 2.82 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 * Residues marked with a * may have inaccurate shift predictions.