NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 N 4.6814 8.2785 118.1250 52.8785 40.1965 175.1103 32 A 3.8278 8.4336 123.1319 54.4102 18.3113 178.3954 33 L 3.9505 8.5969 119.8198 58.2356 42.7320 177.4635 34 K 3.9673 8.0211 117.9354 59.3646 31.9719 178.7645 35 N 4.3122 7.9769 117.5717 56.7053 38.8536 176.4386 36 C 4.1955 7.8126 120.2196 62.1472 31.8398 175.6596 37 K 4.0119 8.5717 120.7411 58.8200 31.5916 178.7587 38 E 4.3102 7.9855 117.9975 58.7938 29.9575 178.4183 39 N 4.3667 8.2264 117.4877 56.0659 38.5783 177.1435 40 F 4.1366 8.5480 122.2457 61.5123 39.4745 177.3997 41 T 3.9513 7.7595 114.2239 66.3888 68.0982 176.8658 42 V 3.5286 7.7275 120.0719 66.0182 31.6145 178.0136 43 L 3.8816 7.5262 118.5204 57.7385 41.5419 179.3073 44 Q 3.7341 7.7374 119.5543 59.4015 28.9923 178.6095 45 T 3.8946 7.9224 110.7812 64.7947 68.7501 176.6932 46 I 3.6795 7.9748 122.9360 63.9692 37.0923 178.2150 47 R 3.8619 8.5127 119.9194 59.6837 29.7618 178.3965 48 Q 3.9884 8.0176 118.8418 59.0414 28.9251 178.1226 49 Q 4.1207 8.1612 119.2614 59.0169 28.8272 178.4172 50 Q 4.1730 8.4630 119.3539 59.3589 28.8103 179.2710 51 S 4.2350 8.3159 116.2073 61.9111 62.4117 177.0840 52 T 3.9608 7.8320 112.2019 64.7079 68.6888 176.5666 53 L 3.7792 8.2069 123.7304 57.7477 42.0058 178.4588 54 N 4.7389 9.0229 117.6314 56.6791 38.9143 177.0209 55 G 3.6901 8.3935 107.3871 47.7691 0.0000 175.6555 56 S 4.2225 8.3716 115.5232 60.9410 62.4374 175.8940 57 W 4.5255 8.5246 131.2112 60.7244 30.3383 178.0488 58 V 3.2889 8.2986 118.2050 65.9163 30.9913 177.9048 59 A 3.9717 8.1733 120.5205 54.8990 18.0831 179.6471 60 L 3.7352 8.1377 117.6641 57.9720 41.6787 179.5127 61 L 3.8517 7.8729 119.0105 58.1038 41.4200 179.8003 62 Q 3.9276 8.1616 117.8335 59.0513 28.5957 178.8726 63 T 3.8734 7.7336 118.1601 65.9816 68.4728 176.6408 64 R 3.8121 8.0845 120.7898 59.4048 30.0581 178.0250 65 N 4.2737 8.2873 116.8869 57.1280 38.9568 176.8516 66 T 3.8579 8.2627 117.4743 66.7111 68.4694 176.5974 67 L 4.1048 8.0183 120.9238 57.8708 41.6607 179.2486 68 N 4.4844 8.4246 116.5515 56.3399 38.4055 177.6707 69 R 3.9760 8.3224 119.5947 59.2092 30.0447 178.9464 70 A 4.2121 8.3429 120.8610 54.8090 18.3176 180.0029 71 G 3.7009 8.2086 104.3881 48.1346 0.0000 175.7498 72 I 3.8412 8.0113 123.1467 64.1479 37.1612 178.3509 73 R 3.8998 8.4797 119.6285 59.6489 29.9931 177.7643 74 Y 3.9926 8.4499 119.5225 61.1591 38.3065 178.1243 75 M 4.1985 8.5193 119.5327 58.7023 32.1435 178.7179 76 M 4.1424 8.4667 119.2329 58.4184 32.1965 178.5362 77 D 4.3315 8.1894 119.2455 57.3371 40.6801 178.8104 78 Q 3.9470 7.5277 117.6403 58.1905 28.6223 177.2841 79 N 4.7719 7.3609 114.5242 52.4816 39.1579 175.0182 80 N 4.2475 7.5702 114.9533 53.8750 37.7742 175.0819 81 I 4.3317 7.3510 112.1449 62.0299 37.9094 176.4650 82 G 3.9610 9.2886 109.2163 46.3802 0.0000 171.9454 83 S 4.7562 8.1316 122.4081 59.1508 65.8404 174.8091 84 G 3.8245 8.2442 107.0890 45.8378 0.0000 175.7388 85 S 4.4019 8.5067 124.6302 58.5557 63.3616 174.5904 86 T 4.3286 9.2594 115.3516 60.7945 71.0834 176.2880 87 V 3.5291 8.2196 119.8463 66.0742 31.4893 177.6755 88 A 3.9585 7.9258 119.9709 55.2140 18.2668 179.3144 89 E 3.9033 8.3539 117.1213 59.6215 29.5297 179.6434 90 L 3.9958 8.1782 119.2285 57.8809 41.6411 179.2488 91 M 4.0211 8.1321 118.3969 58.5622 32.1723 177.9585 92 E 3.9301 8.2189 119.6089 59.1316 29.7889 178.6582 93 S 4.0545 8.1961 113.1179 61.3517 62.3870 176.0194 94 A 3.9629 8.4066 123.8507 55.1541 18.1099 179.6638 95 S 4.0197 8.0770 113.6203 61.8925 62.8983 177.0034 96 I 3.7219 7.7607 122.5260 64.5100 36.3402 178.7442 97 S 4.1201 8.2416 115.0605 61.2083 62.8612 176.2741 98 L 3.9323 8.1637 124.2751 57.8540 41.7047 179.1067 99 K 4.3440 8.1722 119.9509 58.8586 31.8680 179.0895 100 Q 3.9567 8.3259 119.9284 58.9769 28.9526 178.1200 101 A 4.0889 8.1424 121.8993 55.3022 18.0438 179.4166 102 E 4.2465 8.3254 118.3777 58.8436 29.5868 179.4594 103 K 3.9994 8.4013 119.7921 59.8369 32.3421 178.6235 104 N 4.4100 8.5030 116.8613 55.9529 38.4402 177.1574 105 W 3.9534 8.8940 130.0372 60.4961 30.6301 177.9511 106 A 4.1581 8.4812 120.7736 54.9112 17.5075 179.3958 107 D 4.2669 7.7003 116.8669 57.7256 41.2758 177.9300 108 Y 4.1641 7.7622 121.1497 60.2454 38.5419 178.1051 109 E 3.3633 7.9560 117.9320 58.5445 29.5294 178.4200 110 A 4.1582 7.2167 119.0754 52.1581 19.3791 177.6752 111 L 4.0814 6.6649 117.1189 53.4485 42.3842 175.4289 112 P 4.3216 0.0000 0.0000 62.6902 31.9453 176.0980 113 R 4.5680 8.0539 120.6936 54.1338 32.3943 175.9495 114 D 4.5013 8.6110 121.3294 53.4619 41.9172 175.5236 115 P 4.2742 0.0000 0.0000 65.7613 31.4141 177.7673 116 R 4.2068 8.3613 114.8782 57.0148 30.3935 176.8906 117 Q 4.2550 7.5807 117.5258 55.1743 29.6815 176.4292 118 S 4.2234 9.3466 117.2765 58.5611 63.3398 175.5287 119 T 3.9595 8.6008 120.3210 64.7601 68.7967 176.4434 120 A 3.9922 8.0439 122.9654 54.9456 18.3687 179.3083 121 A 3.9806 8.4693 119.4130 55.2728 18.2385 179.7571 122 A 4.0603 8.1213 118.7057 55.1444 18.3590 179.6956 123 A 4.0901 8.0436 119.5651 55.1135 18.5157 179.4642 124 E 4.0261 8.3743 118.0241 59.2093 29.6954 178.8872 125 I 3.6852 8.2752 119.4203 63.7255 37.9935 177.7414 126 K 4.1236 8.1079 120.5113 59.6341 32.1501 178.6570 127 R 3.9082 8.5118 119.3619 59.6973 30.0168 178.2741 128 N 4.4808 8.5660 116.3824 56.1643 38.1747 176.7254 129 Y 3.8941 8.7728 121.4633 60.7964 38.6863 177.9900 130 D 4.0443 8.1923 119.6792 57.2992 40.8872 178.8340 131 I 3.4738 7.4238 119.5893 64.5077 37.1690 177.8993 132 Y 4.2788 7.9107 120.0799 60.9592 38.5754 177.3005 133 H 3.4658 8.1274 119.4260 59.2718 29.7582 176.9064 134 N 4.1509 8.2243 118.2657 56.0905 38.2852 177.2334 135 A 3.8364 7.8676 122.2342 55.1168 18.4804 179.7440 136 L 3.7804 7.6008 117.1793 57.6858 41.7331 179.3710 137 A 3.8427 7.9232 121.0876 55.2079 18.1994 179.3120 138 E 3.8299 8.2941 117.7829 59.3781 29.6519 178.9050 139 L 4.0052 7.9509 118.9927 58.0165 41.6705 179.6378 140 I 3.7173 7.7415 119.5915 64.3513 35.4607 178.5268 141 Q 3.9434 7.8986 118.6063 59.0362 28.5940 178.7638 142 L 4.1745 8.5709 120.3090 57.6736 41.5570 179.4061 143 L 3.7052 8.2202 120.3964 58.0009 41.8314 179.3016 144 G 4.0556 7.6874 100.2655 45.1747 0.0000 173.3281 145 A 4.5290 6.8712 118.5968 50.6407 20.1684 177.7642 146 G 3.8494 8.3351 104.0709 46.7619 0.0000 176.1901 147 K 4.3292 7.6403 120.9818 55.2080 28.3881 177.3683 148 I 3.4706 7.3819 122.5682 64.0588 38.4744 176.2512 149 N 4.4329 8.1565 117.2564 56.9499 38.9244 176.5375 150 E 4.0248 8.2183 119.4630 59.1764 29.3322 178.8388 151 F 3.9458 7.9267 119.8673 61.5686 39.5723 177.1492 152 F 4.2746 8.2182 115.2538 59.7940 38.7332 177.1903 153 D 4.4936 8.0412 117.6683 56.3237 41.3380 176.2129 154 Q 3.7168 7.2819 118.3679 55.9829 29.8167 176.4630 155 P 4.5055 0.0000 0.0000 61.7693 30.4600 177.1750 156 T 3.9220 7.6624 118.5639 66.9302 68.8288 175.8837 157 Q 4.0152 8.0952 120.8818 59.3313 29.0117 178.7767 158 G 3.4434 7.5817 106.6087 47.8956 0.0000 175.3325 159 Y 4.3839 7.2202 118.5938 60.9167 37.9674 178.1747 160 Q 2.6894 8.0153 120.4428 58.9283 29.0939 177.9838 161 D 4.5157 8.2907 120.1460 57.2806 40.3452 179.0432 162 G 3.6244 8.0308 106.1804 47.6838 0.0000 175.6277 163 F 4.0170 7.7947 122.1292 60.8275 39.4043 176.7618 164 E 3.2752 8.3076 119.4003 59.0524 29.4997 178.5766 165 K 3.8280 7.9926 119.4504 59.7809 32.1156 178.7515 166 Q 3.9054 7.5102 116.9487 58.9272 28.5567 177.8403 167 Y 3.6804 7.6489 120.9819 60.6055 38.5915 178.5026 168 V 3.4651 8.1555 119.2397 65.8446 31.5682 177.8724 169 A 3.9163 7.7869 120.0720 55.2036 18.1450 178.8178 170 Y 3.9160 8.1083 118.2262 61.1998 38.7404 178.4128 171 M 3.7802 8.0018 119.4612 58.4043 32.0763 178.6510 172 E 3.8697 8.3137 119.0989 59.2117 29.5733 179.1938 173 Q 3.8367 8.2630 120.0183 59.3312 29.1399 178.1134 174 N 4.1711 7.9738 117.6199 56.2438 38.4623 177.0635 175 D 4.3107 8.1598 120.6150 57.4767 40.7805 179.0904 176 R 3.9402 7.8507 118.3255 59.3059 30.2380 179.1753 177 L 4.0404 7.9494 118.4786 57.3823 41.4910 179.1770 178 H 4.2401 8.0495 118.7191 59.4258 30.0900 177.0429 179 D 4.4149 8.6212 121.0444 56.9181 40.5457 178.6106 180 I 3.9417 7.5935 113.3142 63.2201 37.6912 178.0544 181 A 3.9969 7.2926 120.8037 55.0070 18.3162 179.6659 182 V 3.6773 7.5338 110.1289 64.7222 31.7931 178.6386 183 S 4.2134 7.7115 114.3556 61.4193 62.5747 176.1339 184 D 4.4566 8.1618 121.9645 57.2461 40.7720 177.2063 185 N 4.6211 7.7800 121.0739 53.8236 39.1473 174.1712 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 31 N 8.28 4.68 0.00 2.88 2.80 0.00 0.00 6.89 6.32 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 32 A 8.43 3.83 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 33 L 8.60 3.95 0.00 1.76 1.63 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.02 3.97 0.00 1.88 1.86 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.56 7.81 35 N 7.98 4.31 0.00 3.17 2.93 0.00 0.00 6.71 8.66 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 36 C 7.81 4.20 0.00 3.07 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 37 K 8.57 4.01 0.00 1.78 1.84 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.63 7.81 38 E 7.99 4.31 0.00 2.17 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 39 N 8.23 4.37 0.00 3.10 2.94 0.00 0.00 6.60 8.29 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 40 F 8.55 4.14 0.00 3.10 3.09 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 41 T 7.76 3.95 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 1.24 0.00 0.00 42 V 7.73 3.53 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.93 0.00 0.00 43 L 7.53 3.88 0.00 1.49 1.56 0.90 1.31 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 44 Q 7.74 3.73 0.00 1.67 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 45 T 7.92 3.89 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 1.24 0.00 0.00 46 I 7.97 3.68 1.96 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 1.34 0.46 0.86 0.00 0.00 47 R 8.51 3.86 0.00 1.84 2.13 0.00 3.15 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 48 Q 8.02 3.99 0.00 2.36 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 49 Q 8.16 4.12 0.00 2.47 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.54 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 50 Q 8.46 4.17 0.00 2.40 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 51 S 8.32 4.23 0.00 3.91 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.83 3.96 4.52 0.00 0.00 0.00 0.00 0.00 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 53 L 8.21 3.78 0.00 1.26 1.72 0.62 -0.07 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 54 N 9.02 4.74 0.00 3.14 3.00 0.00 0.00 7.14 7.82 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 55 G 8.39 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 0.00 0.00 0.00 56 S 8.37 4.22 0.00 4.09 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 57 W 8.52 4.53 0.00 3.35 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 58 V 8.30 3.29 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 0.90 0.00 0.00 0.93 0.00 0.00 59 A 8.17 3.97 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 60 L 8.14 3.74 0.00 1.94 1.40 0.69 0.10 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 61 L 7.87 3.85 0.00 1.51 1.44 -0.35 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.16 3.93 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 63 T 7.73 3.87 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 64 R 8.08 3.81 0.00 1.89 2.07 0.00 3.34 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 65 N 8.29 4.27 0.00 2.83 2.76 0.00 0.00 7.27 7.06 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 66 T 8.26 3.86 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 67 L 8.02 4.10 0.00 1.87 1.82 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 68 N 8.42 4.48 0.00 2.89 2.92 0.00 0.00 7.03 7.24 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 69 R 8.32 3.98 0.00 2.06 2.00 0.00 3.13 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 70 A 8.34 4.21 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 71 G 8.21 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 72 I 8.01 3.84 2.10 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.97 0.96 0.00 0.00 73 R 8.48 3.90 0.00 1.97 2.17 0.00 3.16 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.71 0.00 74 Y 8.45 3.99 0.00 3.09 3.21 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 75 M 8.52 4.20 0.00 2.17 2.33 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.11 2.79 0.00 76 M 8.47 4.14 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.92 0.00 77 D 8.19 4.33 0.00 2.66 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 78 Q 7.53 3.95 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.38 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 79 N 7.36 4.77 0.00 2.68 2.79 0.00 0.00 7.06 7.88 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 80 N 7.57 4.25 0.00 2.86 2.87 0.00 0.00 6.74 7.08 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 81 I 7.35 4.33 1.86 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 1.44 0.68 0.93 0.00 0.00 82 G 9.29 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.13 4.76 0.00 3.94 3.80 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 0.00 0.00 0.00 0.00 84 G 8.24 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 85 S 8.51 4.40 0.00 3.87 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 86 T 9.26 4.33 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 1.20 0.00 0.00 87 V 8.22 3.53 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 0.99 0.00 0.00 1.04 0.00 0.00 88 A 7.93 3.96 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 89 E 8.35 3.90 0.00 2.24 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 90 L 8.18 4.00 0.00 1.80 1.72 1.04 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 91 M 8.13 4.02 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 92 E 8.22 3.93 0.00 2.12 2.07 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 2.29 2.35 0.00 93 S 8.20 4.05 0.00 4.00 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 94 A 8.41 3.96 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 95 S 8.08 4.02 0.00 4.05 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 7.76 3.72 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 1.57 0.65 0.91 0.00 0.00 97 S 8.24 4.12 0.00 4.02 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 98 L 8.16 3.93 0.00 1.77 1.79 0.65 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.17 4.34 0.00 2.03 1.86 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.43 7.81 100 Q 8.33 3.96 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 101 A 8.14 4.09 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 0.00 102 E 8.33 4.25 0.00 2.31 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 0.00 2.43 2.46 0.00 103 K 8.40 4.00 0.00 1.94 2.01 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.52 7.81 104 N 8.50 4.41 0.00 2.95 3.17 0.00 0.00 6.73 8.09 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 0.00 105 W 8.89 3.95 0.00 3.14 3.19 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 0.00 106 A 8.48 4.16 1.43 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 0.00 107 D 7.70 4.27 0.00 2.91 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 0.00 108 Y 7.76 4.16 0.00 2.83 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 0.00 109 E 7.96 3.36 0.00 1.70 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 0.00 2.12 1.70 0.00 110 A 7.22 4.16 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 0.00 111 L 6.66 4.08 0.00 1.54 1.50 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.32 0.00 2.00 1.94 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 1.99 2.06 0.00 113 R 8.05 4.57 0.00 1.75 1.94 0.00 3.17 0.00 0.00 3.09 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.51 0.00 114 D 8.61 4.50 0.00 2.75 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 0.00 115 P 0.00 4.27 0.00 2.07 2.10 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 116 R 8.36 4.21 0.00 1.76 1.95 0.00 3.14 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 2.16 0.00 117 Q 7.58 4.25 0.00 2.25 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 118 S 9.35 4.22 0.00 3.85 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 0.00 119 T 8.60 3.96 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 120 A 8.04 3.99 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 0.00 121 A 8.47 3.98 1.38 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 0.00 122 A 8.12 4.06 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 0.00 123 A 8.04 4.09 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 0.00 124 E 8.37 4.03 0.00 2.28 2.18 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 2.38 2.36 0.00 125 I 8.28 3.69 1.84 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.67 1.14 0.00 0.00 126 K 8.11 4.12 0.00 2.31 2.17 0.00 1.86 0.00 0.00 2.05 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.61 7.81 127 R 8.51 3.91 0.00 2.04 2.10 0.00 3.16 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 128 N 8.57 4.48 0.00 3.04 3.06 0.00 0.00 6.67 7.37 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 0.00 129 Y 8.77 3.89 0.00 2.80 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 0.00 130 D 8.19 4.04 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 0.00 131 I 7.42 3.47 2.00 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 1.31 0.69 0.70 0.00 0.00 132 Y 7.91 4.28 0.00 3.11 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 0.00 133 H 8.13 3.47 0.00 1.93 2.55 0.00 5.65 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 0.00 134 N 8.22 4.15 0.00 2.74 2.71 0.00 0.00 6.97 6.99 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 0.00 135 A 7.87 3.84 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 0.00 136 L 7.60 3.78 0.00 1.50 1.49 0.27 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 137 A 7.92 3.84 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 0.00 138 E 8.29 3.83 0.00 2.02 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 2.33 0.00 139 L 7.95 4.01 0.00 1.87 1.74 0.73 0.24 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 0.00 140 I 7.74 3.72 1.98 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 1.50 0.64 0.88 0.00 0.00 141 Q 7.90 3.94 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 142 L 8.57 4.17 0.00 1.92 1.79 0.91 0.74 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 0.00 143 L 8.22 3.71 0.00 1.71 1.66 -0.23 0.90 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 0.00 144 G 7.69 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 0.00 145 A 6.87 4.53 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 G 8.34 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 0.00 0.00 0.00 147 K 7.64 4.33 0.00 1.94 1.93 0.00 1.83 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.43 7.81 148 I 7.38 3.47 1.53 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.41 0.93 0.00 0.00 149 N 8.16 4.43 0.00 2.88 2.84 0.00 0.00 7.20 7.65 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 0.00 150 E 8.22 4.02 0.00 2.09 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 2.43 2.40 0.00 151 F 7.93 3.95 0.00 2.91 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 8.22 4.27 0.00 3.12 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 0.00 153 D 8.04 4.49 0.00 2.92 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 0.00 154 Q 7.28 3.72 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.35 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 155 P 0.00 4.51 0.00 1.79 1.82 0.00 3.64 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 1.96 2.01 0.00 156 T 7.66 3.92 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 1.36 0.00 0.00 157 Q 8.10 4.02 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 158 G 7.58 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 0.00 0.00 0.00 159 Y 7.22 4.38 0.00 3.24 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 0.00 160 Q 8.02 2.69 0.00 1.52 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.26 0.00 161 D 8.29 4.52 0.00 2.88 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 0.00 162 G 8.03 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 F 7.79 4.02 0.00 3.08 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 E 8.31 3.28 0.00 2.10 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 0.00 2.35 2.50 0.00 165 K 7.99 3.83 0.00 1.89 1.73 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.46 7.81 166 Q 7.51 3.91 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.48 2.71 0.00 167 Y 7.65 3.68 0.00 1.89 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 0.00 168 V 8.16 3.47 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 1.02 0.00 0.00 0.99 0.00 0.00 169 A 7.79 3.92 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 0.00 170 Y 8.11 3.92 0.00 2.98 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 0.00 171 M 8.00 3.78 0.00 1.92 2.06 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.02 0.00 172 E 8.31 3.87 0.00 2.03 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 2.30 2.31 0.00 173 Q 8.26 3.84 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 174 N 7.97 4.17 0.00 2.64 2.66 0.00 0.00 7.08 8.91 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 0.00 175 D 8.16 4.31 0.00 2.80 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 0.00 176 R 7.85 3.94 0.00 1.99 1.94 0.00 3.20 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 177 L 7.95 4.04 0.00 1.80 1.67 0.84 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 178 H 8.05 4.24 0.00 3.21 3.38 0.00 5.59 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 0.00 179 D 8.62 4.41 0.00 2.67 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 I 7.59 3.94 1.85 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 1.43 0.79 0.98 0.00 0.00 181 A 7.29 4.00 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 0.00 182 V 7.53 3.68 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 0.62 0.00 0.00 0.92 0.00 0.00 183 S 7.71 4.21 0.00 4.15 3.86 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 0.00 184 D 8.16 4.46 0.00 2.72 2.77 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 0.00 185 N 7.78 4.62 0.00 2.90 2.85 0.00 0.00 7.02 8.45 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