NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2788 8.1749 115.2410 61.8475 69.3586 174.5533 4 R 3.9234 7.7884 119.3944 53.2490 30.6279 174.0114 5 P 4.2417 0.0000 0.0000 62.8470 32.8639 175.5551 6 R 4.5169 7.7405 118.5931 54.3200 33.2023 175.2423 7 F 4.8966 8.4177 117.8317 55.7487 42.8363 174.0731 8 L 5.0474 8.5345 125.2772 53.1551 45.9056 175.2780 9 W 5.7838 8.9472 134.0101 56.4725 33.4053 174.1816 10 Q 4.5072 8.9203 128.1524 53.4310 30.3063 173.4792 11 P 4.4432 0.0000 0.0000 61.9836 32.5404 176.2240 12 K 4.4819 9.4652 124.5182 54.6521 35.2564 175.3469 13 R 4.9802 8.7894 124.9047 54.5810 31.3820 175.0232 14 E 4.8249 8.8771 122.9456 54.5091 32.5135 174.3040 15 C 5.3350 8.7944 119.1163 55.5022 44.4489 172.8187 16 H 4.6139 9.0558 121.2948 54.0618 30.5371 173.2350 17 F 5.0086 8.4904 122.4333 55.8009 40.6148 175.4299 18 F 4.8555 9.1035 121.8233 56.0060 42.7658 174.8232 19 N 4.2220 9.8614 119.4870 54.6930 38.8003 176.1074 20 G 3.9669 8.4231 113.2411 46.8425 0.0000 174.1440 21 T 4.4970 8.6483 110.5426 60.8113 69.6671 174.5712 22 E 4.0468 7.9717 123.2702 58.6474 29.9851 176.9113 23 R 4.7640 8.0874 118.9973 54.3547 33.1981 174.5689 24 V 4.9395 8.5620 124.9125 61.0942 34.9345 174.2022 25 R 4.7380 8.9626 127.1965 53.5140 32.9305 173.5683 26 F 5.4317 8.9420 128.4443 56.5012 41.9379 173.7250 27 L 4.7610 8.4261 126.1086 52.7385 44.6620 174.8778 28 D 4.8621 8.7890 123.5872 52.5801 43.2242 174.9012 29 R 4.7625 8.7736 125.5421 54.4064 34.0197 174.3249 30 Y 4.8442 8.2145 120.0191 56.0110 41.6678 174.6496 31 F 5.1369 8.7647 122.1315 55.9281 42.2185 173.2412 32 Y 5.2860 8.9430 126.1702 56.4833 40.2645 175.2836 33 N 3.8623 8.2356 124.8808 54.7495 38.8288 176.9363 34 Q 4.2291 8.7844 127.7033 58.0444 29.6915 174.7597 35 E 4.3220 7.8707 118.9564 55.0688 30.2609 175.5381 36 E 4.1076 8.9757 127.2643 56.5237 30.6678 175.4894 37 S 4.9557 9.1271 117.4141 58.3891 65.9094 174.1917 38 V 5.2436 7.6670 119.0724 59.6493 34.9493 174.0053 39 R 5.3497 9.2852 118.4930 54.8877 33.3498 173.3511 40 F 4.7363 9.3084 124.3699 56.8358 41.6377 173.9076 41 D 4.8958 7.1053 124.4661 52.0920 43.4227 176.0201 42 S 4.1901 8.8698 122.2280 61.4859 62.9707 176.0236 43 D 4.5357 7.9162 118.3206 55.3904 41.1086 177.2746 44 V 3.8237 7.7767 118.9659 64.9470 32.1249 176.6761 45 G 4.1191 8.2377 105.7260 45.1820 0.0000 172.1504 46 E 5.0559 7.4077 114.9659 54.4423 32.9273 174.3845 47 F 4.8944 9.3033 117.6312 57.7133 39.7785 175.8815 48 R 4.8984 9.2187 121.2408 54.0993 33.6643 174.9520 49 A 4.5837 8.7982 124.7718 52.3852 18.6276 177.5622 50 V 4.4251 9.2414 114.7589 61.4218 34.0225 175.9958 51 T 4.7746 7.6631 109.0612 59.1456 71.4752 174.5933 52 E 4.0170 8.6588 120.9460 59.1720 29.8189 179.5077 53 L 3.9101 8.1004 120.1513 57.9671 42.3506 178.4350 54 G 3.8073 8.0729 103.1433 45.4044 0.0000 175.3523 55 R 3.8683 7.5321 121.0814 59.0820 30.1688 176.6556 56 P 4.2386 0.0000 0.0000 65.6723 31.2048 178.1039 57 D 3.4538 7.6427 118.0413 56.7693 40.7019 178.2642 58 A 3.9686 7.7570 121.1558 55.3228 18.2229 179.4482 59 E 3.9266 8.1995 116.1255 59.7435 29.6193 178.6416 60 Y 4.3115 7.6661 118.8501 60.1308 38.8030 177.5491 61 W 3.9643 7.7652 119.9761 59.5489 28.7829 178.2589 62 N 4.6793 8.1549 115.9261 55.6327 38.0327 176.4988 63 S 4.7531 7.4151 113.5071 57.6602 63.8173 173.7854 64 Q 4.4783 7.5283 123.3873 53.9457 29.6195 176.0599 65 K 3.8901 8.8385 124.6404 60.2091 32.2290 178.5914 66 D 4.3999 7.9410 119.6758 56.1867 39.6057 178.2852 67 I 3.5913 7.4531 121.3772 63.9237 37.0857 178.1753 68 L 3.9074 7.9347 121.0374 58.1721 41.7137 178.8702 69 E 3.9580 8.1500 117.6988 59.3419 29.6892 179.1207 70 Q 4.0069 8.3904 118.2243 58.9216 28.4230 178.5037 71 A 3.6133 7.7972 121.7594 55.2751 18.0069 179.8895 72 R 4.1092 7.6093 114.6664 58.7123 30.4452 178.5128 73 A 4.1625 7.7881 120.3158 54.0918 18.5410 179.0139 74 A 3.8819 7.5880 120.9020 54.4237 17.9962 179.9547 75 V 3.5818 7.6971 116.2078 64.7458 31.5874 177.8429 76 D 4.4734 8.1468 119.4651 56.4550 41.7405 178.2109 77 T 4.3338 8.3483 107.7620 62.8568 69.6326 174.4840 78 Y 4.6130 7.7028 121.5044 59.0900 40.7930 177.4155 79 C 4.2122 8.6750 117.3944 60.2959 35.5648 176.4854 80 R 3.9531 8.0682 119.5836 59.8527 29.5231 177.9151 81 H 3.9974 8.0312 116.1924 60.0703 29.6788 176.5782 82 N 4.2979 9.0431 117.7733 56.4936 38.4860 176.5086 83 Y 3.7872 8.2759 121.0722 60.9718 38.5445 178.8819 84 G 3.6075 7.7531 104.9500 47.4192 0.0000 175.6006 85 V 3.6997 7.1041 119.8620 65.8875 32.1454 177.9450 86 V 3.1131 7.5217 110.2407 61.3883 31.6855 177.5950 87 E 3.2967 7.7856 120.6164 59.3402 29.1101 178.4448 88 S 4.0418 7.5236 111.2016 60.8672 62.4864 174.8447 89 F 4.8053 6.8556 111.9043 56.5428 37.8706 174.8844 90 T 4.4390 7.2188 109.1051 63.6264 70.3649 176.5945 91 V 3.5559 7.5401 121.8502 64.4428 31.7132 176.5787 92 Q 4.5084 7.7075 115.4133 55.2278 29.0628 175.3722 93 R 4.0525 7.4671 119.4982 56.4359 30.4864 176.3137 94 R 4.8534 8.5168 123.5365 54.8920 33.5984 174.3322 95 V 4.5368 9.2291 123.7928 60.6793 34.3383 174.8221 96 Q 4.7805 9.2547 127.2223 55.0787 29.0327 174.9478 97 P 4.8296 0.0000 0.0000 62.8895 32.9724 175.4691 98 K 4.5453 9.0155 120.9272 54.8201 34.3711 175.4651 99 V 4.4653 8.5114 125.3405 61.7535 32.8365 174.5064 100 T 4.7850 9.1138 125.7288 61.7950 71.1511 173.9527 101 V 4.9798 8.5024 124.8136 61.2499 34.0760 174.1239 102 Y 5.0115 7.9959 125.0404 54.4450 41.6255 172.9810 103 P 4.4716 0.0000 0.0000 63.2382 32.9399 175.0204 104 S 4.5350 9.2129 115.0706 57.5523 66.0177 172.2980 105 K 4.2732 8.7745 115.3339 57.7098 34.3409 177.6814 106 T 3.3139 8.8501 108.3990 61.5256 67.6773 169.8593 107 Q 3.7720 8.2988 124.0288 56.7958 25.9811 172.2778 108 P 4.7879 0.0000 0.0000 62.3243 30.0666 178.0366 *111 H 4.5245 8.5649 114.8004 55.5101 29.1481 170.1637 112 H 5.1493 8.0800 114.0149 54.0637 30.8596 172.6676 113 N 5.1208 8.3260 114.2076 53.1682 39.8765 174.7773 114 L 4.5083 7.5458 118.1945 54.4778 44.1410 174.1219 115 L 4.4139 8.4366 120.7868 52.9387 44.3029 175.5719 116 V 4.4805 8.0705 122.6238 61.1445 34.2607 173.2331 117 C 4.9243 9.4609 128.9934 55.2888 41.8053 171.9391 118 S 4.9755 9.3857 123.0010 56.5929 64.1828 172.7443 119 V 4.9906 8.6812 127.8219 61.1973 33.7132 174.3358 120 S 5.0185 8.7145 122.0447 57.1126 66.8452 174.1259 121 G 4.0370 8.8518 108.2733 46.8545 0.0000 173.3909 122 F 5.3900 7.8279 113.1622 55.3095 41.3367 173.6217 123 Y 5.1491 8.8015 119.9843 56.2541 42.6281 173.1990 124 P 3.1093 0.0000 0.0000 61.2344 33.0154 176.0467 125 G 2.3742 7.8645 108.5127 48.2807 0.0000 174.5984 126 S 4.0700 7.5883 115.0469 58.2506 63.1630 173.0516 127 I 4.6516 7.8464 124.2163 59.3944 41.4373 173.7695 128 E 4.4397 8.9764 126.9002 54.5419 32.0454 174.0913 129 V 4.7247 8.2539 127.3129 61.0156 33.2820 174.9971 130 R 4.6602 8.5837 123.3988 54.3776 33.4527 173.9585 131 W 5.2820 8.5963 120.5961 55.6977 31.6062 175.1552 132 F 5.3433 9.9327 121.8084 55.6993 43.1061 173.8529 133 L 4.7661 8.9889 124.1954 53.6050 44.9724 175.9972 134 N 4.2240 10.1027 123.9808 54.2580 36.0894 175.5253 135 G 4.0629 8.7658 107.6367 45.3083 0.0000 174.4454 136 Q 4.4759 7.8456 119.0110 54.6235 29.8864 174.5735 137 E 3.9949 8.5747 123.1734 55.7342 30.1654 176.8288 138 E 4.3359 8.0818 126.9285 54.8396 28.3361 176.0376 139 K 3.9668 8.4594 123.9199 58.4219 32.8214 176.9453 140 A 4.6747 7.7486 119.3947 51.4805 21.2940 176.0818 141 G 4.1593 9.3676 108.8314 45.2041 0.0000 172.7183 142 M 5.3467 7.7523 115.1374 53.0854 34.3961 174.5108 143 V 4.6390 8.8405 120.3016 60.1710 35.3010 173.9966 144 S 5.2235 8.3265 114.5415 57.1109 65.3180 173.6487 145 T 4.0655 8.6934 113.3258 62.2323 69.4593 175.9176 146 G 3.7855 8.2834 111.0862 44.2653 0.0000 171.7903 147 L 4.4530 8.2749 120.5672 54.6692 43.1701 176.9061 148 I 4.6030 8.5653 126.6771 59.4614 40.1285 174.7810 149 Q 4.0018 8.7410 126.8206 55.7645 28.6580 176.2095 150 N 4.3472 8.4643 121.4661 53.8575 39.1572 176.5425 151 G 3.9027 8.4167 105.6500 45.1490 0.0000 172.9560 152 D 4.9479 7.1470 117.4973 52.6511 39.8969 175.4210 153 W 3.3350 8.2631 116.2193 58.7794 26.5943 174.0892 154 T 5.0176 7.5433 106.1253 60.1539 72.0834 172.7124 155 F 5.0854 8.8832 122.3917 56.1566 42.1977 174.4762 156 Q 5.3346 8.8126 116.9567 55.7761 32.2601 173.4020 157 T 5.0134 9.2963 114.4749 61.0487 71.9798 172.2030 158 L 5.1799 8.8361 124.5958 52.9539 45.3341 175.7009 159 V 4.6429 8.8291 124.6615 61.4871 33.7686 173.9753 160 M 5.0599 9.3292 128.5073 53.5179 34.7116 174.6229 161 L 4.5168 8.6794 126.3754 53.2901 44.0768 175.1900 162 E 4.7428 8.5398 126.3004 55.0478 29.0309 174.9894 163 T 4.5717 7.5841 115.7930 59.9565 72.0169 174.5222 164 V 3.7086 8.2978 124.8372 60.8960 32.0278 174.5883 165 P 4.6366 0.0000 0.0000 61.6559 33.2480 174.4748 *171 Y 4.9564 8.0165 114.9335 58.8592 39.6337 174.8498 172 T 5.2691 9.7154 119.6533 62.1020 73.0472 171.8541 173 C 4.6090 9.1549 126.6565 54.8779 45.3466 171.8850 174 Q 4.9655 8.8517 127.4611 54.2826 31.6676 173.9984 175 V 4.5952 8.9812 127.3165 61.3214 33.9313 173.8651 176 E 4.9084 8.7839 128.4337 55.3680 31.7096 174.8575 177 H 4.8202 8.4389 120.2155 54.7105 32.7219 172.5999 178 P 4.2128 0.0000 0.0000 65.7076 31.4848 178.0533 179 S 4.3530 8.2102 112.1372 60.0190 62.2601 174.1214 180 V 4.6294 7.4285 114.7546 59.3651 33.8808 176.8043 181 T 4.1736 8.5013 113.6409 63.6917 69.2190 174.7719 182 S 4.6460 7.3352 113.7931 55.3859 66.0675 171.9489 183 P 4.4629 0.0000 0.0000 63.4084 31.8220 175.5600 184 L 4.4292 8.7454 123.1152 54.6050 42.8655 175.8303 185 T 5.6670 8.3894 113.3665 59.1585 71.3406 173.7796 186 V 4.5423 8.2270 116.6975 59.5977 35.3260 173.9965 187 E 5.1636 8.9327 125.3770 54.5113 31.7069 175.2935 188 W 4.7811 9.4646 134.8672 57.7156 30.8342 174.6020 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 3 T 8.17 4.28 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 1.21 0.00 0.00 4 R 7.79 3.92 0.00 1.92 1.86 0.00 3.30 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 5 P 0.00 4.24 0.00 1.87 1.96 0.00 3.72 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 2.05 2.04 0.00 6 R 7.74 4.52 0.00 1.61 1.75 0.00 3.29 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.47 0.00 7 F 8.42 4.90 0.00 3.09 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 8 L 8.53 5.05 0.00 1.78 1.45 0.99 0.78 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 9 W 8.95 5.78 0.00 3.54 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 10 Q 8.92 4.51 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 11 P 0.00 4.44 0.00 1.86 1.82 0.00 3.57 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 12 K 9.47 4.48 0.00 1.72 1.81 0.00 1.23 0.00 0.00 1.54 0.00 0.00 2.65 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.27 1.33 7.81 13 R 8.79 4.98 0.00 1.73 2.07 0.00 3.06 0.00 0.00 3.24 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 14 E 8.88 4.82 0.00 1.92 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 2.11 2.23 0.00 15 C 8.79 5.33 0.00 2.71 2.41 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 16 H 9.06 4.61 0.00 2.98 2.81 0.00 5.59 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.49 5.01 0.00 2.95 3.14 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 0.00 18 F 9.10 4.86 0.00 3.07 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 19 N 9.86 4.22 0.00 2.98 2.84 0.00 0.00 7.14 8.39 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 20 G 8.42 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 0.00 0.00 0.00 21 T 8.65 4.50 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 22 E 7.97 4.05 0.00 2.16 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 0.00 2.33 2.30 0.00 23 R 8.09 4.76 0.00 1.84 1.80 0.00 2.82 0.00 0.00 2.66 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.47 0.00 24 V 8.56 4.94 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 0.53 0.00 0.00 1.07 0.00 0.00 25 R 8.96 4.74 0.00 2.10 1.87 0.00 3.18 0.00 0.00 3.12 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 26 F 8.94 5.43 0.00 3.22 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 27 L 8.43 4.76 0.00 1.39 1.33 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.79 4.86 0.00 2.54 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.77 4.76 0.00 1.86 1.51 0.00 3.12 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.46 0.00 30 Y 8.21 4.84 0.00 2.91 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 0.00 0.00 0.00 31 F 8.76 5.14 0.00 2.89 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 32 Y 8.94 5.29 0.00 3.54 3.11 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 0.00 0.00 0.00 33 N 8.24 3.86 0.00 2.69 1.76 0.00 0.00 6.96 7.30 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 34 Q 8.78 4.23 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 35 E 7.87 4.32 0.00 2.19 1.95 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 2.39 2.33 0.00 36 E 8.98 4.11 0.00 2.02 1.82 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 2.05 1.49 0.00 37 S 9.13 4.96 0.00 4.08 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 0.00 38 V 7.67 5.24 2.30 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 1.01 0.00 0.00 1.32 0.00 0.00 39 R 9.29 5.35 0.00 1.92 2.01 0.00 2.75 0.00 0.00 3.05 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 40 F 9.31 4.74 0.00 1.99 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 41 D 7.11 4.90 0.00 2.49 2.16 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 42 S 8.87 4.19 0.00 4.20 4.57 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 43 D 7.92 4.54 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 44 V 7.78 3.82 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 0.69 0.00 0.00 0.88 0.00 0.00 45 G 8.24 4.12 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 0.00 46 E 7.41 5.06 0.00 2.42 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 2.23 2.43 0.00 47 F 9.30 4.89 0.00 3.37 3.30 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 0.00 48 R 9.22 4.90 0.00 1.72 1.82 0.00 3.32 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 49 A 8.80 4.58 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 50 V 9.24 4.43 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 0.75 0.00 0.00 0.96 0.00 0.00 51 T 7.66 4.77 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 1.30 0.00 0.00 52 E 8.66 4.02 0.00 2.03 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 2.41 2.25 0.00 53 L 8.10 3.91 0.00 1.61 1.73 0.82 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.07 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 55 R 7.53 3.87 0.00 2.07 1.89 0.00 3.10 0.00 0.00 3.44 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 56 P 0.00 4.24 0.00 2.10 2.16 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.92 0.00 57 D 7.64 3.45 0.00 2.40 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 0.00 0.00 0.00 0.00 58 A 7.76 3.97 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 59 E 8.20 3.93 0.00 1.92 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 0.00 2.35 2.49 0.00 60 Y 7.67 4.31 0.00 2.88 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 61 W 7.77 3.96 0.00 2.75 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 N 8.15 4.68 0.00 3.02 3.01 0.00 0.00 7.03 7.63 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 63 S 7.42 4.75 0.00 4.02 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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7.61 4.11 0.00 1.89 2.06 0.00 3.20 0.00 0.00 3.30 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.87 0.00 73 A 7.79 4.16 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 74 A 7.59 3.88 0.34 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 75 V 7.70 3.58 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 0.93 0.00 0.00 1.04 0.00 0.00 76 D 8.15 4.47 0.00 2.85 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 77 T 8.35 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 1.24 0.00 0.00 78 Y 7.70 4.61 0.00 2.84 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 79 C 8.67 4.21 0.00 3.28 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 80 R 8.07 3.95 0.00 2.04 2.03 0.00 3.36 0.00 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0.00 4.83 0.00 1.99 1.88 0.00 3.70 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.72 0.00 98 K 9.02 4.55 0.00 1.76 1.79 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.57 7.81 99 V 8.51 4.47 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 0.72 0.00 0.00 0.87 0.00 0.00 100 T 9.11 4.79 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 1.39 0.00 0.00 101 V 8.50 4.98 2.23 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 0.81 0.00 0.00 0.97 0.00 0.00 102 Y 8.00 5.01 0.00 3.07 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 0.00 103 P 0.00 4.47 0.00 2.15 1.66 0.00 3.88 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 104 S 9.21 4.53 0.00 3.88 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 0.00 105 K 8.77 4.27 0.00 1.83 1.69 0.00 1.74 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0.00 0.00 0.00 0.00 124 P 0.00 3.11 0.00 1.68 1.46 0.00 3.66 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 1.93 2.07 0.00 125 G 7.86 2.37 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 0.00 126 S 7.59 4.07 0.00 3.90 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 0.00 127 I 7.85 4.65 1.65 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.74 0.74 0.00 0.00 128 E 8.98 4.44 0.00 2.04 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 2.30 2.22 0.00 129 V 8.25 4.72 1.95 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 0.61 0.00 0.00 0.75 0.00 0.00 130 R 8.58 4.66 0.00 1.70 1.86 0.00 3.10 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 131 W 8.60 5.28 0.00 3.29 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 0.00 132 F 9.93 5.34 0.00 3.21 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 0.00 133 L 8.99 4.77 0.00 1.61 1.45 -0.08 0.40 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 0.00 134 N 10.10 4.22 0.00 2.89 2.87 0.00 0.00 7.39 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 0.00 135 G 8.77 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 0.00 136 Q 7.85 4.48 0.00 2.33 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 137 E 8.57 3.99 0.00 1.64 1.71 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 2.04 1.78 0.00 138 E 8.08 4.34 0.00 2.09 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 2.32 2.43 0.00 139 K 8.46 3.97 0.00 1.66 1.81 0.00 1.59 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.48 7.81 140 A 7.75 4.67 1.21 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 0.00 141 G 9.37 4.16 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 0.00 142 M 7.75 5.35 0.00 1.99 2.15 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 2.50 2.54 0.00 143 V 8.84 4.64 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 0.82 0.00 0.00 0.93 0.00 0.00 144 S 8.33 5.22 0.00 3.86 3.72 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 0.00 145 T 8.69 4.07 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 146 G 8.28 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 0.00 147 L 8.27 4.45 0.00 1.69 1.65 1.13 0.68 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 0.00 148 I 8.57 4.60 2.08 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 1.26 0.86 0.91 0.00 0.00 149 Q 8.74 4.00 0.00 1.81 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.02 0.00 0.00 0.00 0.00 0.00 1.85 2.40 0.00 150 N 8.46 4.35 0.00 2.89 2.80 0.00 0.00 7.25 7.64 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 0.00 151 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 0.00 152 D 7.15 4.95 0.00 2.77 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 0.00 153 W 8.26 3.34 0.00 3.24 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.54 5.02 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 1.31 0.00 0.00 155 F 8.88 5.09 0.00 1.51 2.42 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 0.00 156 Q 8.81 5.33 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.63 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 157 T 9.30 5.01 4.45 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 1.29 0.00 0.00 158 L 8.84 5.18 0.00 1.69 1.53 0.99 0.91 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 0.00 159 V 8.83 4.64 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 1.23 0.00 0.00 0.91 0.00 0.00 160 M 9.33 5.06 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 161 L 8.68 4.52 0.00 0.28 0.35 0.77 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 162 E 8.54 4.74 0.00 1.95 1.88 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 2.45 2.19 0.00 163 T 7.58 4.57 4.28 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 1.20 0.00 0.00 164 V 8.30 3.71 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 0.76 0.00 0.00 0.96 0.00 0.00 165 P 0.00 4.64 0.00 2.22 2.38 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 *171 Y 8.02 4.96 0.00 3.47 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 0.00 172 T 9.72 5.27 4.45 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 1.22 0.00 0.00 173 C 9.15 4.61 0.00 2.23 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 0.00 174 Q 8.85 4.97 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.51 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 175 V 8.98 4.60 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 0.70 0.00 0.00 0.76 0.00 0.00 176 E 8.78 4.91 0.00 1.90 1.80 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 2.23 2.21 0.00 177 H 8.44 4.82 0.00 3.02 3.03 0.00 5.69 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 0.00 178 P 0.00 4.21 0.00 1.96 2.06 0.00 3.05 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.99 0.00 179 S 8.21 4.35 0.00 4.11 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 0.00 180 V 7.43 4.63 2.21 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 0.87 0.00 0.00 0.99 0.00 0.00 181 T 8.50 4.17 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 1.22 0.00 0.00 182 S 7.34 4.65 0.00 3.89 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 0.00 183 P 0.00 4.46 0.00 2.06 2.08 0.00 3.74 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 1.95 1.99 0.00 184 L 8.75 4.43 0.00 1.58 1.59 0.89 0.39 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 0.00 185 T 8.39 5.67 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 1.14 0.00 0.00 186 V 8.23 4.54 2.16 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 0.82 0.00 0.00 0.94 0.00 0.00 187 E 8.93 5.16 0.00 2.03 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 2.46 2.37 0.00 188 W 9.46 4.78 0.00 3.35 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 * Residues marked with a * may have inaccurate shift predictions.