NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 A 4.3077 8.2649 123.5738 51.1522 20.0654 177.4131 21 E 3.5996 8.2333 120.2278 56.9791 30.0301 172.5161 22 V 4.1702 8.8553 124.8750 60.9873 32.5188 173.2826 23 L 4.5138 7.9134 125.7868 52.3450 43.1576 176.9210 24 L 4.1357 8.1969 123.3434 54.8880 42.3070 176.7814 25 Q 4.1261 8.6099 124.9983 55.4227 29.5277 174.2620 26 P 4.4334 0.0000 0.0000 62.3173 32.5923 175.1051 27 D 4.3913 8.7029 117.7062 54.8522 38.4648 174.5064 28 F 4.1636 8.4194 119.3411 58.7036 40.2588 174.0565 29 N 4.5355 8.0821 125.7308 51.4529 39.8851 174.8625 30 A 4.1403 8.3257 130.6585 55.0995 18.7489 178.4651 31 E 4.0860 8.1218 116.9389 59.5075 29.4501 179.3562 32 K 3.9373 8.0910 117.3706 58.5670 32.1251 178.3836 33 F 4.9715 7.8154 118.6466 58.9697 39.7815 175.3262 34 S 4.4313 7.5611 114.4225 59.1461 64.0036 173.4037 35 G 3.5866 8.9083 107.9859 44.4383 0.0000 171.2097 36 L 4.7616 7.7297 120.3442 53.6674 43.1948 177.0893 37 W 5.2670 8.8259 124.8898 55.1315 33.7947 173.5256 38 Y 4.7748 9.3525 120.1142 56.1837 39.9065 175.2932 39 V 4.5040 8.8322 124.9384 62.8223 31.9391 176.3119 40 V 4.4123 8.9613 121.8347 61.8738 34.1713 176.0938 41 S 5.0151 7.6571 114.9018 57.3820 67.4456 172.9729 42 M 5.4365 8.9088 120.7193 54.0911 37.0006 173.9883 43 A 5.0007 8.8308 122.8495 50.6779 22.6692 175.1265 44 S 5.1137 8.8514 115.6256 58.1676 65.7176 174.1660 45 D 4.7142 8.5893 123.3935 53.2691 39.9181 176.4794 46 C 4.1484 8.0923 121.8309 59.9293 32.4316 174.3069 47 R 3.9381 8.7214 127.7036 59.1423 29.5486 179.2631 48 V 3.5567 7.7224 117.8025 65.8594 31.7067 177.5278 49 F 4.1698 8.2683 119.8998 61.5386 39.0403 176.9075 50 L 3.8081 8.1151 117.3286 57.6291 41.4160 179.5271 51 G 3.7040 7.9075 105.1010 46.4140 0.0000 174.8731 52 K 4.4013 7.3684 118.4785 56.0550 32.6274 177.9019 53 K 3.4135 7.4499 122.9150 59.9678 32.0507 177.7047 54 D 4.5751 7.8338 114.9553 55.8678 41.0846 176.6867 *55 H 4.6194 7.9714 115.6125 56.0865 29.4732 175.6814 56 L 4.3331 7.2683 118.2736 54.5654 42.0861 176.2226 57 S 4.9349 8.1715 115.8044 56.2957 66.6736 173.6449 58 M 4.5335 9.0313 122.5875 55.8841 32.5739 175.3975 59 S 4.9143 8.6773 118.3596 56.9632 67.6202 172.2830 60 T 4.6646 8.2475 109.7706 59.9117 71.8814 173.8789 61 R 4.4575 8.5462 120.8765 54.6069 33.9961 174.1677 62 A 4.9589 8.9051 127.4413 50.2615 21.1429 175.0759 63 I 5.1059 8.8078 124.0969 59.8221 40.4865 175.3175 64 R 5.1014 8.8583 121.5737 53.7900 32.9905 172.5208 65 P 5.1616 0.0000 0.0000 62.7862 32.8181 175.1151 66 T 4.7203 8.2956 112.4230 59.6032 71.9955 173.6343 67 E 4.1477 8.6327 120.0463 57.4368 29.9864 176.6106 68 E 3.7308 9.2164 117.5055 57.9371 26.7278 174.9642 69 G 4.0870 8.4669 102.7756 46.6145 0.0000 174.4726 70 G 4.3657 7.5600 106.7463 44.7198 0.0000 173.0868 71 L 5.3353 8.6576 118.2345 53.0592 46.0252 175.5666 72 H 5.0141 9.2772 122.6566 54.4692 32.0945 173.1314 73 V 4.5360 8.4938 126.6153 61.4316 33.8623 174.2457 74 H 5.1065 9.1931 126.9059 54.5207 29.5924 174.3736 75 M 4.6740 9.1573 124.5124 54.1112 34.0526 175.3494 76 E 4.8191 8.2595 122.5352 54.6305 33.3953 174.3077 77 F 5.1677 8.9576 126.0572 54.7346 39.2245 173.3818 78 P 4.5486 0.0000 0.0000 61.9235 29.0232 175.4535 *84 N 4.5204 8.0168 125.0947 54.1192 40.3215 172.3535 85 Q 5.1072 8.5781 122.7089 54.3345 31.8148 174.4087 86 V 4.5598 8.7112 125.9455 61.2659 34.8628 173.8862 87 D 5.4662 8.7448 126.3889 52.9579 43.7273 175.1436 88 A 4.6845 8.6998 122.5003 50.4559 23.1058 174.6152 89 E 4.8003 8.8055 123.1290 55.1615 31.0900 174.9597 90 Y 4.4948 9.3288 126.4152 57.0086 39.1178 174.5512 91 L 4.8853 8.9014 126.0758 53.0490 43.5691 176.6172 92 K 4.3143 8.9924 125.3461 57.9037 32.9506 173.7896 93 V 3.8895 8.8387 125.9475 63.3722 31.6737 177.5653 94 G 3.7345 9.4384 109.7917 47.5973 0.0000 173.2293 95 S 4.4706 7.2917 112.5832 57.3669 65.0977 174.6539 96 E 4.0997 8.6351 120.5461 58.0345 29.6176 178.0025 97 G 2.6596 8.4831 110.9853 44.6884 0.0000 171.5615 98 H 4.9909 6.9773 120.0130 54.2709 31.8753 173.0116 99 F 5.6554 9.1688 124.0649 55.6669 43.8343 173.8959 100 R 4.8855 9.1194 115.6395 54.7380 33.0193 174.6703 101 V 4.3289 8.7499 120.9403 59.9835 31.5537 173.7659 102 P 4.1970 0.0000 0.0000 64.9360 31.7637 178.7454 103 A 4.0002 7.9319 119.6751 54.2242 18.3462 177.7144 104 L 4.2477 7.4672 112.5953 53.7907 42.7940 176.9174 105 G 3.8089 7.7954 106.8940 46.3427 0.0000 172.5647 106 Y 4.8034 7.6974 118.5945 57.1164 38.0866 176.5563 107 L 4.2486 8.9802 126.0186 57.2000 42.9439 177.4602 108 D 4.8661 7.9556 118.0628 53.0525 44.8915 174.1777 109 V 5.0059 9.2736 125.8834 61.2185 35.0352 174.2251 110 R 4.9301 9.3021 126.3373 54.4097 33.9760 174.7514 111 I 4.0423 8.1273 125.2107 60.7240 36.9779 176.8384 112 V 3.4646 8.3851 128.9340 65.4956 32.2239 176.2159 113 D 4.8005 7.5954 118.3847 53.5714 44.4804 174.2299 114 T 4.0256 9.0940 119.5409 60.9237 70.5950 172.7542 115 D 4.6275 7.4598 125.3832 52.5276 40.0840 178.3736 116 Y 4.1160 7.7763 120.4718 59.1934 37.6636 170.5864 117 S 4.6441 8.4103 111.9515 58.4882 64.3139 174.6589 118 S 4.8926 9.1722 113.6169 59.1639 66.9844 173.5760 119 F 5.8974 8.6162 113.1323 56.2995 41.5139 172.8668 120 A 4.5266 8.9617 119.2618 50.7011 22.9953 175.3394 121 V 4.7968 8.9164 121.7886 61.1342 34.0888 174.3338 122 L 5.0479 8.8175 128.0452 53.0788 44.6052 174.6100 123 Y 5.2070 9.0064 124.8505 56.1001 41.1277 174.3509 124 I 4.7104 8.2312 126.6590 59.3981 41.5142 173.5313 125 Y 4.8722 8.8608 128.0720 55.5705 41.0188 174.4844 126 K 5.1448 8.4113 125.1398 55.0994 36.9459 174.4409 127 E 5.0041 8.9649 121.7098 54.3425 32.1408 175.3328 128 L 4.3899 8.8309 128.1691 54.2463 44.3530 175.8007 129 E 3.7805 9.9951 128.4625 57.4481 26.9974 176.1535 130 G 3.9328 9.4795 106.8259 45.2516 0.0000 173.7231 131 A 4.3354 7.9164 123.8896 51.2879 19.5512 175.8810 132 L 5.0108 8.2642 123.1561 53.3730 43.3525 176.0677 133 S 4.5402 8.4560 116.8993 57.4705 67.4076 172.5784 134 T 4.7892 9.1109 117.2955 62.0146 70.8604 173.5634 135 M 4.9553 8.8214 125.1410 53.6618 36.4625 173.8473 136 V 5.0527 8.8260 124.0109 61.2795 34.9786 174.1911 137 Q 5.1437 9.1297 125.8933 54.0161 32.7499 174.0390 138 L 4.9965 8.7494 125.3423 53.8139 43.9982 174.7861 139 Y 5.2836 9.2207 124.9456 57.2357 39.9498 174.7347 140 S 5.5362 9.5248 117.1932 56.7771 65.8916 174.9123 141 R 4.2315 9.2535 124.2305 58.2499 30.3885 176.0072 142 T 4.6809 7.5767 107.2564 59.5686 71.9762 173.8604 143 Q 3.6500 7.9318 119.1020 57.9892 28.8783 176.5355 144 D 4.5359 7.4372 119.3876 53.8203 41.7191 176.8114 145 V 4.2165 8.1669 121.5960 59.1731 32.6759 174.2639 146 S 4.4407 8.4544 120.8196 56.7132 64.9700 173.4063 147 P 4.2481 0.0000 0.0000 65.7828 31.0622 178.7877 148 Q 3.8345 8.0335 117.7946 58.9350 29.0805 178.0609 149 A 2.9516 7.8275 121.7026 54.8451 18.4266 179.4102 150 L 4.0249 7.9599 118.9159 58.0010 42.0510 179.0631 151 K 3.9168 8.3575 120.0228 59.6181 32.0293 178.5942 152 S 4.1012 7.8466 113.4122 61.3727 62.2283 176.0438 153 F 4.4603 8.2867 122.9524 61.7240 39.0811 177.3509 154 Q 3.9812 8.5410 116.5940 58.9401 28.5131 178.2096 155 D 4.4002 8.2687 119.7836 56.9479 41.1812 178.2577 156 F 4.4053 7.9873 121.6272 61.2370 39.4469 176.7754 157 Y 3.7566 7.8006 117.2536 59.8503 37.5183 176.9050 158 P 4.3088 0.0000 0.0000 64.4458 31.1635 178.4616 159 T 3.8468 7.3047 107.8182 63.9176 68.5758 175.4119 160 L 4.3548 7.4101 120.0048 54.2081 41.9292 177.2499 161 G 3.7924 7.8276 107.3043 45.4432 0.0000 173.5074 162 L 4.3834 7.5338 120.3214 52.6867 41.9859 174.9852 163 P 4.5028 0.0000 0.0000 62.1238 32.5034 178.3475 164 K 4.4323 9.0190 120.4959 57.2119 31.6395 178.9959 165 D 4.5723 8.2039 116.4584 55.8971 39.6006 176.7198 166 M 4.5321 8.3026 119.2126 55.2232 32.3441 174.5009 167 M 5.2822 7.8169 119.2966 53.7488 34.7832 175.5007 168 V 4.5915 8.8815 123.4530 60.3354 35.3703 174.0603 169 M 4.5981 8.6763 123.4698 53.9088 32.9298 175.7023 170 L 4.3964 8.6550 125.8865 53.8203 42.5141 175.7449 171 P 4.6605 0.0000 0.0000 61.9645 33.3353 175.7311 172 Q 4.3519 8.5971 122.0929 56.4990 29.4025 177.4603 173 S 4.3735 8.5735 116.6032 58.4785 62.4129 173.4222 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 20 A 8.26 4.31 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 21 E 8.23 3.60 0.00 2.02 1.90 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 2.26 2.31 0.00 22 V 8.86 4.17 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 0.54 0.00 0.00 0.56 0.00 0.00 23 L 7.91 4.51 0.00 1.61 1.51 1.00 0.99 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 24 L 8.20 4.14 0.00 1.42 1.51 0.81 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.61 4.13 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 26 P 0.00 4.43 0.00 2.00 1.98 0.00 3.89 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 27 D 8.70 4.39 0.00 2.84 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 28 F 8.42 4.16 0.00 2.95 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 29 N 8.08 4.54 0.00 2.48 1.98 0.00 0.00 6.77 8.33 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 30 A 8.33 4.14 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 31 E 8.12 4.09 0.00 2.11 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 2.40 2.39 0.00 32 K 8.09 3.94 0.00 0.79 1.32 0.00 0.86 0.00 0.00 1.25 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.23 1.24 7.81 33 F 7.82 4.97 0.00 3.32 3.49 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 34 S 7.56 4.43 0.00 4.03 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 35 G 8.91 3.59 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 0.00 36 L 7.73 4.76 0.00 1.47 1.37 0.62 0.79 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 37 W 8.83 5.27 0.00 2.58 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 38 Y 9.35 4.77 0.00 3.00 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 39 V 8.83 4.50 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 1.07 0.00 0.00 0.91 0.00 0.00 40 V 8.96 4.41 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 0.79 0.00 0.00 1.00 0.00 0.00 41 S 7.66 5.02 0.00 2.72 3.04 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 42 M 8.91 5.44 0.00 1.71 2.04 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 43 A 8.83 5.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.85 5.11 0.00 3.28 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 45 D 8.59 4.71 0.00 2.83 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 46 C 8.09 4.15 0.00 3.00 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 47 R 8.72 3.94 0.00 1.90 1.98 0.00 3.19 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 48 V 7.72 3.56 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 1.05 0.00 0.00 0.94 0.00 0.00 49 F 8.27 4.17 0.00 3.19 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 L 8.12 3.81 0.00 1.65 1.69 0.98 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.91 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 52 K 7.37 4.40 0.00 1.88 1.96 0.00 1.38 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.33 7.81 53 K 7.45 3.41 0.00 1.58 1.61 0.00 1.60 0.00 0.00 1.42 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.25 0.67 7.81 54 D 7.83 4.58 0.00 2.66 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 *55 H 7.97 4.62 0.00 3.20 3.09 0.00 7.21 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.27 4.33 0.00 1.84 1.69 1.09 0.81 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 57 S 8.17 4.93 0.00 3.88 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 M 9.03 4.53 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.55 0.00 59 S 8.68 4.91 0.00 3.62 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 60 T 8.25 4.66 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 0.62 0.00 0.00 61 R 8.55 4.46 0.00 1.22 1.63 0.00 3.24 0.00 0.00 3.02 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.17 0.00 62 A 8.91 4.96 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 63 I 8.81 5.11 1.98 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 1.25 0.85 1.04 0.00 0.00 64 R 8.86 5.10 0.00 1.85 2.00 0.00 2.78 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 65 P 0.00 5.16 0.00 2.16 2.17 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 66 T 8.30 4.72 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 67 E 8.63 4.15 0.00 2.13 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 2.42 2.42 0.00 68 E 9.22 3.73 0.00 2.17 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 2.24 2.27 0.00 69 G 8.47 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 0.00 0.00 0.00 0.00 70 G 7.56 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.66 5.34 0.00 1.22 1.37 0.58 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 72 H 9.28 5.01 0.00 3.22 3.15 0.00 5.73 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.49 4.54 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 0.91 0.00 0.00 0.37 0.00 0.00 74 H 9.19 5.11 0.00 3.03 3.20 0.00 5.67 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 M 9.16 4.67 0.00 1.56 2.12 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 76 E 8.26 4.82 0.00 1.88 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 2.15 2.24 0.00 77 F 8.96 5.17 0.00 2.92 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 78 P 0.00 4.55 0.00 2.11 2.12 0.00 3.83 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 2.04 1.99 0.00 *84 N 8.02 4.52 0.00 2.89 2.87 0.00 0.00 6.45 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 85 Q 8.58 5.11 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.45 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 86 V 8.71 4.56 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 0.85 0.00 0.00 1.05 0.00 0.00 87 D 8.74 5.47 0.00 2.75 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 0.00 0.00 0.00 0.00 88 A 8.70 4.68 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 89 E 8.81 4.80 0.00 2.05 1.90 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 2.29 2.41 0.00 90 Y 9.33 4.49 0.00 2.57 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 91 L 8.90 4.89 0.00 1.65 1.65 0.94 0.88 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 92 K 8.99 4.31 0.00 2.13 1.78 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.40 7.81 93 V 8.84 3.89 1.54 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 0.68 0.00 0.00 0.92 0.00 0.00 94 G 9.44 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 0.00 0.00 0.00 95 S 7.29 4.47 0.00 3.92 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 96 E 8.64 4.10 0.00 2.09 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 0.00 2.37 2.34 0.00 97 G 8.48 2.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 H 6.98 4.99 0.00 2.98 3.06 0.00 5.55 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 F 9.17 5.66 0.00 3.01 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 0.00 100 R 9.12 4.89 0.00 1.95 2.09 0.00 2.72 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 101 V 8.75 4.33 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 0.64 0.00 0.00 0.02 0.00 0.00 102 P 0.00 4.20 0.00 2.19 2.08 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 103 A 7.93 4.00 1.22 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 0.00 104 L 7.47 4.25 0.00 0.50 0.62 0.51 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 105 G 7.80 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 0.00 0.00 0.00 106 Y 7.70 4.80 0.00 2.76 2.68 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 0.00 107 L 8.98 4.25 0.00 1.92 1.86 1.08 1.07 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 0.00 108 D 7.96 4.87 0.00 2.78 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 0.00 109 V 9.27 5.01 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 1.21 0.00 0.00 0.95 0.00 0.00 110 R 9.30 4.93 0.00 1.80 1.66 0.00 3.00 0.00 0.00 2.98 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.83 0.00 111 I 8.13 4.04 1.34 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 0.49 -0.13 0.61 0.00 0.00 112 V 8.39 3.46 1.68 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 0.04 0.00 0.00 0.70 0.00 0.00 113 D 7.60 4.80 0.00 2.73 2.49 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 0.00 114 T 9.09 4.03 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 0.58 0.00 0.00 115 D 7.46 4.63 0.00 2.89 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 0.00 116 Y 7.78 4.12 0.00 3.26 3.39 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 0.00 117 S 8.41 4.64 0.00 3.98 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 0.00 118 S 9.17 4.89 0.00 4.00 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 0.00 119 F 8.62 5.90 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 0.00 120 A 8.96 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.92 4.80 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 1.01 0.00 0.00 1.23 0.00 0.00 122 L 8.82 5.05 0.00 1.45 1.42 -0.09 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 123 Y 9.01 5.21 0.00 3.27 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 0.00 124 I 8.23 4.71 1.36 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.33 -0.08 0.00 0.00 125 Y 8.86 4.87 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 0.00 126 K 8.41 5.14 0.00 2.03 1.67 0.00 1.39 0.00 0.00 1.37 0.00 0.00 2.77 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.23 1.25 7.81 127 E 8.96 5.00 0.00 1.94 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 2.18 2.36 0.00 128 L 8.83 4.39 0.00 1.69 1.45 0.92 1.24 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 0.00 129 E 10.00 3.78 0.00 2.10 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 2.22 2.28 0.00 130 G 9.48 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 0.00 131 A 7.92 4.34 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 0.00 132 L 8.26 5.01 0.00 1.49 1.31 1.04 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.46 4.54 0.00 3.94 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 0.00 134 T 9.11 4.79 4.23 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 1.27 0.00 0.00 135 M 8.82 4.96 0.00 1.66 1.55 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 136 V 8.83 5.05 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 1.42 0.00 0.00 1.09 0.00 0.00 137 Q 9.13 5.14 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.55 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 138 L 8.75 5.00 0.00 1.10 1.10 1.21 0.70 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 0.00 139 Y 9.22 5.28 0.00 2.67 2.57 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 0.00 140 S 9.52 5.54 0.00 3.98 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 0.00 141 R 9.25 4.23 0.00 1.71 1.81 0.00 2.62 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.51 0.00 142 T 7.58 4.68 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 1.20 0.00 0.00 143 Q 7.93 3.65 0.00 1.77 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.89 0.00 0.00 0.00 0.00 0.00 2.02 1.29 0.00 144 D 7.44 4.54 0.00 2.68 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 0.00 145 V 8.17 4.22 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 0.78 0.00 0.00 0.93 0.00 0.00 146 S 8.45 4.44 0.00 4.06 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 0.00 147 P 0.00 4.25 0.00 2.17 2.15 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 148 Q 8.03 3.83 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.10 2.37 0.00 149 A 7.83 2.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.96 4.02 0.00 1.91 1.83 1.02 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 151 K 8.36 3.92 0.00 1.99 1.87 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.68 7.81 152 S 7.85 4.10 0.00 3.83 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 0.00 153 F 8.29 4.46 0.00 3.30 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 0.00 154 Q 8.54 3.98 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.72 2.87 0.00 155 D 8.27 4.40 0.00 2.70 2.73 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 0.00 156 F 7.99 4.41 0.00 3.14 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 Y 7.80 3.76 0.00 2.99 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 0.00 158 P 0.00 4.31 0.00 1.88 1.84 0.00 3.44 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.89 0.00 159 T 7.30 3.85 4.14 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 0.00 0.00 0.00 1.22 0.00 0.00 160 L 7.41 4.35 0.00 1.65 1.70 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 161 G 7.83 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 0.00 0.00 0.00 162 L 7.53 4.38 0.00 2.05 1.74 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 163 P 0.00 4.50 0.00 2.23 2.01 0.00 3.67 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 164 K 9.02 4.43 0.00 1.68 1.83 0.00 1.87 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 0.97 7.81 165 D 8.20 4.57 0.00 3.06 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 0.00 166 M 8.30 4.53 0.00 2.41 2.29 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 167 M 7.82 5.28 0.00 2.10 1.27 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.80 0.00 168 V 8.88 4.59 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 0.95 0.00 0.00 1.01 0.00 0.00 169 M 8.68 4.60 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 170 L 8.66 4.40 0.00 1.67 1.76 1.04 1.36 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 0.00 171 P 0.00 4.66 0.00 2.13 2.18 0.00 3.86 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 172 Q 8.60 4.35 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 7.12 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 173 S 8.57 4.37 0.00 3.63 3.63 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 * Residues marked with a * may have inaccurate shift predictions.