NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8887 8.4545 109.7391 45.3992 0.0000 175.3617 4 K 4.0782 7.9643 120.1796 53.8264 32.3398 177.3590 5 I 4.4518 8.9338 117.4354 60.6462 38.0356 176.0106 6 S 4.9095 7.7939 111.2967 57.9004 66.7464 173.5778 7 A 4.2764 8.6593 125.4591 53.3180 18.6846 178.0991 8 L 4.6045 7.6338 118.4407 52.9785 42.8184 181.4874 9 D 4.7126 8.2922 122.4584 51.4133 42.8687 175.9421 *14 E 4.1390 8.6838 120.8654 55.1018 30.1392 174.1559 15 L 3.9887 8.4956 124.3184 53.7316 41.6815 175.9385 16 S 4.5456 8.3729 117.2346 57.2267 65.3184 175.4438 17 E 3.9350 8.5031 120.6768 58.9197 29.2996 177.4512 18 P 4.2471 0.0000 0.0000 66.2210 31.4098 178.6451 19 T 3.5987 7.5822 113.6262 66.5241 68.2649 176.9259 20 K 4.0123 7.9444 120.1155 59.3646 32.1024 179.3391 21 A 4.2023 7.8463 121.2180 54.9209 18.1333 179.1953 22 Y 4.0481 7.7798 118.0074 61.0838 39.0035 178.1772 23 F 4.4838 8.5617 119.0012 60.4052 39.0900 177.2892 24 A 4.1161 8.7672 123.5065 56.1040 17.7501 180.5818 25 K 4.0532 8.1217 121.6887 60.1070 31.6951 180.4445 26 C 4.3253 8.3541 117.0346 62.3261 27.7872 175.5386 27 E 4.0979 8.0796 125.0158 60.2037 29.5473 179.8306 28 E 4.1784 8.0635 118.9898 60.9536 29.7780 180.8102 29 K 4.5522 7.2981 121.1847 59.6455 33.2695 179.0995 30 L 4.6777 8.4429 119.3627 53.7884 43.6720 176.6882 31 G 3.9725 8.4957 108.0559 46.1081 0.0000 172.9049 32 L 4.3816 7.1430 118.9266 54.5455 42.9394 173.8446 33 V 4.1669 7.8800 117.9376 60.3610 33.3729 174.0026 34 P 4.5406 0.0000 0.0000 62.8743 31.9668 177.3947 35 N 4.4248 9.4784 120.9257 56.1760 38.2639 177.9873 36 V 3.6150 8.1600 120.8836 64.8946 30.9428 178.5399 37 L 4.1140 7.7292 118.5579 57.4427 41.9159 179.2056 38 K 4.2141 7.9258 117.8617 59.4726 31.8550 179.0290 39 A 4.0564 8.3637 120.3404 55.0926 18.5254 178.4643 40 Y 4.3280 8.0713 112.8887 58.5999 38.1317 176.9841 41 A 4.3835 7.9023 122.5402 53.6039 18.5803 178.1858 42 F 4.4690 8.4008 109.8442 57.5608 38.5473 175.8975 43 D 4.2122 7.7573 124.2410 53.1844 43.2505 175.3347 44 D 4.4171 8.8743 133.4234 59.1199 39.7296 176.2743 45 K 4.2009 8.1254 124.0649 59.6962 31.6307 182.4460 46 K 4.2299 7.9059 119.3344 59.1794 32.0712 178.9310 47 L 4.0339 8.5477 120.9766 58.3339 41.9446 179.2811 48 R 3.7870 8.3352 117.8995 59.3191 29.9820 178.8677 49 A 4.0112 8.0274 120.4906 55.0318 18.2336 179.4548 50 F 3.9395 8.4252 119.1621 61.9035 39.4188 177.5467 51 T 3.8720 8.2250 115.4536 66.5758 68.1127 176.4170 52 D 4.3399 8.8655 123.5857 58.1501 40.7202 179.3241 53 I 3.6703 7.6926 119.4527 65.3863 35.5524 179.2099 54 Y 3.8199 7.8905 121.1332 60.2329 38.4152 177.4721 55 N 4.1280 8.2372 117.5678 56.3665 38.5017 176.9097 56 D 4.3307 7.7100 120.0602 57.2854 41.2476 177.9374 57 L 4.2073 6.7224 120.3104 56.4758 41.1973 180.9421 *59 L 4.3711 7.6775 117.4177 54.9242 43.4207 176.6048 60 G 4.1347 7.0145 107.4513 43.5801 0.0000 172.4913 61 E 3.6099 7.2515 120.0297 53.5950 31.4811 176.4560 62 S 4.7795 7.8907 119.4583 58.5241 64.7201 176.8872 63 G 4.0340 8.2740 111.5895 44.7488 0.0000 173.6277 64 L 4.7206 7.5791 120.4232 52.6031 43.7754 177.2615 65 S 4.4616 8.5211 118.0563 57.9179 65.1617 175.7174 66 K 4.0143 8.4211 120.6823 59.2345 31.5135 179.3851 67 L 3.9318 7.8382 119.6021 58.0806 42.1277 178.1524 68 D 4.5315 8.0963 118.0273 57.7654 41.1620 178.8287 69 R 4.1115 7.8887 118.0813 59.1414 30.1141 179.0191 70 E 4.1795 8.1953 116.9640 56.7196 29.4372 179.0639 *72 I 3.8950 7.7601 120.8997 61.4009 39.4032 177.8588 73 A 3.0870 7.6946 121.7995 54.9881 17.8222 179.8759 74 V 3.4995 7.4895 115.9220 65.7368 31.6909 178.1782 75 A 4.0209 7.7505 120.2080 54.9638 18.2699 179.5743 76 V 3.5107 7.8495 116.8136 66.4360 31.6999 178.5905 77 S 4.6113 8.0366 115.9991 60.7704 62.4119 176.7779 78 S 4.0657 8.5165 116.6658 61.4160 61.9833 176.0480 79 I 3.6603 7.3759 120.9260 64.4480 37.0231 177.5350 80 N 4.5456 8.0719 113.9052 52.8947 39.6801 174.5046 81 H 3.9498 7.4187 117.0176 56.7888 26.8748 175.8143 82 C 4.5314 8.1341 119.9269 58.1302 31.7249 172.9741 83 Y 4.3687 8.8573 129.2660 61.0182 38.3158 177.2549 84 Y 3.4913 8.0082 119.7927 60.8776 38.9578 177.5393 85 C 4.4014 8.2008 116.9509 62.4585 28.6771 175.8649 86 L 3.9887 8.1874 120.8222 57.8916 41.0308 179.8035 87 T 3.7430 7.5652 115.2987 66.4491 68.2791 176.8861 88 A 2.5800 7.5179 122.5833 55.1376 18.4070 179.3048 89 H 4.3668 8.3155 114.4870 57.9850 28.8854 178.2808 90 G 3.5496 7.9314 107.6946 47.6162 0.0000 175.6255 91 A 4.0240 7.7376 122.7216 54.8578 18.3355 179.6540 92 A 3.9383 7.6067 119.4000 55.3091 18.3872 180.0955 93 V 3.6439 7.8462 116.8699 65.9549 31.4648 178.5490 94 R 3.8992 7.9583 117.9115 59.2174 29.7306 178.8205 95 Q 3.9422 8.0905 118.1235 59.2614 29.2075 177.9735 96 L 4.1685 8.1605 119.2411 57.8153 41.8212 179.3668 97 S 4.3340 8.2889 113.0263 59.1156 63.2542 175.5397 98 G 3.8653 7.8724 109.1286 45.5074 0.0000 173.2041 99 D 4.7296 7.6835 119.2893 50.8277 41.4765 174.1435 100 P 4.4018 0.0000 0.0000 64.8642 31.1935 177.9316 101 A 4.1590 8.0243 118.7147 54.5945 18.4659 178.8686 102 L 4.1618 8.1635 118.7858 58.0980 42.4608 178.9167 103 G 3.9264 7.7422 104.3800 47.8337 0.0000 175.8227 104 E 4.1505 7.2914 115.6890 56.7080 28.8455 177.9131 *106 L 4.4490 7.9323 121.0260 55.0803 43.4190 178.4353 107 V 3.5617 7.6851 113.8552 63.9917 31.1440 175.0514 *109 N 4.4504 7.9656 117.1611 53.2868 38.9142 174.6069 110 F 4.2604 8.7363 122.1773 59.7418 38.1035 177.6038 111 R 3.5210 6.8936 119.1718 58.0204 29.7815 177.3296 112 A 4.1485 7.8500 119.9634 53.2678 19.1201 177.6060 113 A 4.3784 7.7677 118.6963 51.9397 19.8404 177.9258 114 D 4.7035 8.2178 121.9092 53.0663 39.4974 176.2521 115 L 4.4089 7.4419 121.1701 53.6249 43.4434 177.9729 116 S 4.3979 8.8143 115.4632 57.6902 64.8971 173.3953 117 P 4.2743 0.0000 0.0000 66.0228 30.8258 179.0132 118 R 3.8614 7.7992 115.8479 59.5631 30.2192 178.1035 119 Q 4.2401 8.2357 116.9735 59.1548 28.8970 178.5758 120 T 4.1878 8.4548 116.9666 66.5838 68.4615 177.3534 121 A 4.1880 8.0775 119.6349 53.0692 18.4404 179.0357 *123 L 3.9716 7.8637 122.1223 56.2222 43.8516 179.0407 124 E 4.0406 8.4794 118.3933 59.7282 29.3778 179.4008 125 F 4.0890 8.1884 119.8709 61.1030 39.4224 177.0313 126 A 3.9559 7.9333 120.1140 54.9268 18.1835 179.6677 127 V 3.4331 7.8546 116.7639 65.9781 31.7392 177.9046 128 K 3.7199 7.8238 119.3855 59.7268 31.7547 178.4262 129 L 3.9325 7.3195 118.6627 58.0907 41.9151 178.7903 130 T 4.0372 7.5192 115.2625 66.3500 68.5684 176.1998 131 E 4.3730 8.4383 119.6111 57.5706 31.5105 177.2609 132 E 4.7575 8.4798 116.8208 54.3467 29.9338 173.8706 133 P 4.1461 0.0000 0.0000 65.9867 32.2705 179.3785 134 A 3.9607 8.0796 121.2357 54.5537 18.2128 177.9404 135 K 4.4179 7.7050 112.3555 55.9680 32.7513 176.8675 136 I 3.9314 7.2278 120.6399 61.8759 37.5442 175.5975 137 V 4.5998 9.3810 117.3663 58.4676 35.8838 175.9653 138 E 3.9723 8.8958 119.8572 59.8370 29.2226 178.4412 139 A 4.1634 8.0127 119.7012 54.6393 18.6132 179.1202 140 D 4.4780 8.1802 118.1414 57.5721 40.8126 178.9286 141 R 3.9844 8.0525 117.8847 58.8164 30.2848 178.6346 142 A 4.0104 8.2218 120.3902 54.8380 18.3266 179.5417 143 A 4.0367 7.9868 119.2744 55.1732 18.4350 179.9067 144 L 4.1633 7.5379 116.4190 57.9254 41.7296 179.7101 145 R 4.1550 8.3366 118.3983 59.4300 29.8380 179.1470 146 K 3.9461 7.8618 116.5395 59.4579 32.1905 178.7814 147 A 4.1909 7.6107 118.3243 53.0334 18.2715 178.0795 148 G 3.8688 7.7256 106.0249 45.1684 0.0000 173.7508 149 F 4.6152 7.7569 117.9066 56.3446 40.0357 176.6015 150 S 4.6256 8.5919 119.2050 57.6818 65.7514 175.1287 151 D 4.3528 8.4759 121.3107 57.2377 40.4516 178.9825 152 R 3.9788 7.9588 119.1425 59.3364 29.9542 178.1250 153 D 4.3794 8.2382 118.9553 57.1661 40.7348 178.5862 154 I 3.4746 7.9825 120.6233 64.0725 37.1509 178.1304 155 W 4.0487 8.2157 128.9744 60.5966 30.5442 177.6760 156 D 4.4673 8.4505 118.8262 57.5626 40.3071 178.8186 157 I 3.6211 8.1381 120.3811 64.3748 37.0383 178.4323 158 A 4.1486 8.2093 121.8572 55.0608 18.1769 180.0235 159 S 3.8231 7.8840 113.6511 62.0579 62.9569 176.5571 160 T 3.8608 7.9022 118.0601 66.7328 68.1089 175.9049 161 A 4.0386 8.1435 121.9689 55.6614 18.2027 179.3025 162 A 3.9360 8.0926 117.8087 55.4252 18.4918 179.2406 163 F 4.0831 8.5272 118.0566 61.5662 39.7501 177.1499 164 F 4.1737 8.4480 116.6092 59.5387 38.2340 177.3565 165 N 4.6072 7.7645 114.8190 54.1269 38.0412 177.1191 *167 S 4.1235 8.1928 115.3334 58.7607 64.8384 175.7529 168 N 4.3523 8.4949 117.8534 56.8385 38.1433 177.6596 169 R 3.9856 7.5843 118.7618 58.8072 30.3414 179.0574 170 V 3.5018 7.7116 117.3976 66.0930 31.4655 177.6807 171 A 3.9266 8.0210 120.1124 55.1283 17.9354 179.5333 172 A 3.9938 7.7906 117.8291 55.1484 18.6632 179.3149 173 A 4.0892 8.0697 118.6496 54.8557 18.8491 179.0830 174 I 3.9991 7.6911 109.0028 59.1142 38.0206 171.0923 175 D 4.5054 7.2327 129.3486 53.5974 42.9180 172.4803 *177 R 4.5034 8.4395 123.9449 55.2745 31.0657 173.7993 178 P 3.8125 0.0000 0.0000 61.8014 32.3065 175.9191 179 N 4.3542 8.4631 116.9034 53.1887 38.9339 176.1489 180 D 4.3806 8.5416 120.8549 57.3238 40.8274 178.4206 181 E 3.9198 7.9533 118.7254 59.3399 29.1426 178.5753 182 Y 4.3698 7.3608 116.2937 61.3747 37.8838 177.9459 183 H 4.4113 7.7935 116.1114 57.9416 30.0592 176.4200 184 A 4.2838 7.3840 123.5504 50.9746 17.8626 177.4547 *186 A 4.1674 7.3547 121.8049 51.7669 20.4485 177.4861 187 R 4.2442 7.8712 124.5373 56.7000 30.4105 177.1460 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 G 8.45 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 0.00 0.00 0.00 4 K 7.96 4.08 0.00 1.87 1.61 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.07 7.81 5 I 8.93 4.45 1.87 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 1.41 1.19 0.91 0.00 0.00 6 S 7.79 4.91 0.00 3.73 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.66 4.28 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 8 L 7.63 4.60 0.00 1.67 1.45 0.92 0.85 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 9 D 8.29 4.71 0.00 2.64 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 *14 E 8.68 4.14 0.00 2.01 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 0.00 2.13 1.88 0.00 15 L 8.50 3.99 0.00 1.65 1.54 0.92 0.90 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 16 S 8.37 4.55 0.00 4.01 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 17 E 8.50 3.93 0.00 1.99 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 2.39 2.34 0.00 18 P 0.00 4.25 0.00 2.08 2.05 0.00 3.57 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 2.08 2.16 0.00 19 T 7.58 3.60 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 0.46 0.00 0.00 20 K 7.94 4.01 0.00 1.88 1.88 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.29 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.65 7.81 21 A 7.85 4.20 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 22 Y 7.78 4.05 0.00 3.00 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 23 F 8.56 4.48 0.00 3.19 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 24 A 8.77 4.12 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 25 K 8.12 4.05 0.00 1.79 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.35 7.81 26 C 8.35 4.33 0.00 3.09 3.05 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 0.00 0.00 0.00 27 E 8.08 4.10 0.00 1.94 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 28 E 8.06 4.18 0.00 2.14 1.86 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 2.26 2.20 0.00 29 K 7.30 4.55 0.00 1.88 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.31 1.33 7.81 30 L 8.44 4.68 0.00 1.54 1.67 0.94 0.96 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 31 G 8.50 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 32 L 7.14 4.38 0.00 1.59 1.62 0.82 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.88 4.17 1.78 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 0.07 0.00 0.00 0.84 0.00 0.00 34 P 0.00 4.54 0.00 2.33 2.17 0.00 3.66 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 2.22 2.23 0.00 35 N 9.48 4.42 0.00 3.07 3.00 0.00 0.00 6.44 7.25 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 36 V 8.16 3.61 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 0.91 0.00 0.00 0.14 0.00 0.00 37 L 7.73 4.11 0.00 1.85 2.23 1.26 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.93 4.21 0.00 1.99 1.86 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.75 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.28 1.16 7.81 39 A 8.36 4.06 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 40 Y 8.07 4.33 0.00 2.92 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 41 A 7.90 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.40 4.47 0.00 3.19 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 43 D 7.76 4.21 0.00 1.92 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 0.00 0.00 0.00 44 D 8.87 4.42 0.00 2.72 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 45 K 8.13 4.20 0.00 1.79 1.85 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.35 7.81 46 K 7.91 4.23 0.00 1.82 2.01 0.00 1.19 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.49 7.81 47 L 8.55 4.03 0.00 1.98 1.82 1.15 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.34 3.79 0.00 1.89 1.92 0.00 3.18 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 49 A 8.03 4.01 1.44 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 50 F 8.43 3.94 0.00 2.49 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 51 T 8.22 3.87 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 1.31 0.00 0.00 52 D 8.87 4.34 0.00 2.85 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 53 I 7.69 3.67 1.87 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 1.41 0.62 0.91 0.00 0.00 54 Y 7.89 3.82 0.00 2.35 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 55 N 8.24 4.13 0.00 2.81 2.80 0.00 0.00 6.66 8.02 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 56 D 7.71 4.33 0.00 2.56 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 57 L 6.72 4.21 0.00 1.73 1.53 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 *59 L 7.68 4.37 0.00 1.58 1.75 1.04 0.85 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 60 G 7.01 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.25 3.61 0.00 1.93 1.79 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 2.27 2.34 0.00 62 S 7.89 4.78 0.00 3.85 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 63 G 8.27 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 0.00 0.00 0.00 64 L 7.58 4.72 0.00 1.65 1.60 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.52 4.46 0.00 4.09 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 66 K 8.42 4.01 0.00 1.82 1.90 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.48 7.81 67 L 7.84 3.93 0.00 1.62 1.70 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.10 4.53 0.00 2.89 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 69 R 7.89 4.11 0.00 1.99 1.98 0.00 3.20 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 70 E 8.20 4.18 0.00 2.09 1.93 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 2.57 2.51 0.00 *72 I 7.76 3.90 1.97 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 1.28 0.61 0.93 0.00 0.00 73 A 7.69 3.09 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.49 3.50 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 1.02 0.00 0.00 0.94 0.00 0.00 75 A 7.75 4.02 1.15 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 76 V 7.85 3.51 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 1.15 0.00 0.00 0.99 0.00 0.00 77 S 8.04 4.61 0.00 4.03 3.95 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 78 S 8.52 4.07 0.00 4.00 4.05 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 0.00 0.00 0.00 79 I 7.38 3.66 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.68 0.91 0.00 0.00 80 N 8.07 4.55 0.00 2.94 2.90 0.00 0.00 7.20 8.11 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 81 H 7.42 3.95 0.00 3.28 3.36 0.00 5.64 0.00 0.00 0.00 0.00 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 C 8.13 4.53 0.00 3.05 2.93 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 83 Y 8.86 4.37 0.00 3.09 3.07 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 0.00 84 Y 8.01 3.49 0.00 3.05 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 85 C 8.20 4.40 0.00 3.16 3.15 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 86 L 8.19 3.99 0.00 1.83 1.76 1.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.57 3.74 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 0.91 0.00 0.00 88 A 7.52 2.58 0.74 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 0.00 0.00 89 H 8.32 4.37 0.00 3.26 3.33 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 G 7.93 3.55 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 0.00 91 A 7.74 4.02 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 92 A 7.61 3.94 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 93 V 7.85 3.64 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 1.11 0.00 0.00 0.96 0.00 0.00 94 R 7.96 3.90 0.00 2.13 2.13 0.00 3.29 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 95 Q 8.09 3.94 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 96 L 8.16 4.17 0.00 1.68 1.72 0.94 0.95 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 97 S 8.29 4.33 0.00 4.02 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2.44 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.92 0.00 134 A 8.08 3.96 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 0.00 135 K 7.71 4.42 0.00 1.85 1.83 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.37 7.81 136 I 7.23 3.93 1.86 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 1.29 0.56 1.01 0.00 0.00 137 V 9.38 4.60 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 0.85 0.00 0.00 1.04 0.00 0.00 138 E 8.90 3.97 0.00 2.10 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 2.40 2.48 0.00 139 A 8.01 4.16 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 0.00 140 D 8.18 4.48 0.00 3.11 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 0.00 141 R 8.05 3.98 0.00 2.01 1.94 0.00 3.15 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 142 A 8.22 4.01 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 0.00 143 A 7.99 4.04 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.54 4.16 0.00 1.87 1.74 -0.04 0.72 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 0.00 145 R 8.34 4.15 0.00 2.01 2.00 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 146 K 7.86 3.95 0.00 1.94 1.89 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.60 7.81 147 A 7.61 4.19 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 0.00 148 G 7.73 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 F 7.76 4.62 0.00 3.23 2.89 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 0.00 150 S 8.59 4.63 0.00 4.07 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 0.00 151 D 8.48 4.35 0.00 2.80 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 0.00 152 R 7.96 3.98 0.00 1.88 1.92 0.00 3.15 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 153 D 8.24 4.38 0.00 3.25 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 7.98 3.47 1.99 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 1.20 0.88 0.66 0.00 0.00 155 W 8.22 4.05 0.00 3.50 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 0.00 156 D 8.45 4.47 0.00 2.97 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 I 8.14 3.62 1.72 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.42 0.85 0.00 0.00 158 A 8.21 4.15 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 0.00 159 S 7.88 3.82 0.00 3.87 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 0.00 160 T 7.90 3.86 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 1.41 0.00 0.00 161 A 8.14 4.04 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 0.00 162 A 8.09 3.94 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 F 8.53 4.08 0.00 2.92 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 0.00 164 F 8.45 4.17 0.00 3.26 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 N 7.76 4.61 0.00 2.89 2.81 0.00 0.00 6.79 7.43 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 *167 S 8.19 4.12 0.00 3.97 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 0.00 168 N 8.49 4.35 0.00 2.81 2.94 0.00 0.00 7.15 7.25 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 0.00 169 R 7.58 3.99 0.00 1.86 1.95 0.00 3.27 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 170 V 7.71 3.50 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 1.00 0.00 0.00 0.92 0.00 0.00 171 A 8.02 3.93 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 0.00 172 A 7.79 3.99 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 0.00 173 A 8.07 4.09 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 I 7.69 4.00 1.80 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.81 0.83 0.00 0.00 175 D 7.23 4.51 0.00 2.93 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 *177 R 8.44 4.50 0.00 1.96 2.01 0.00 3.65 0.00 0.00 3.47 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 178 P 0.00 3.81 0.00 1.73 1.11 0.00 3.64 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.80 0.00 179 N 8.46 4.35 0.00 1.91 2.54 0.00 0.00 6.49 8.08 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 0.00 180 D 8.54 4.38 0.00 2.78 2.62 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 0.00 181 E 7.95 3.92 0.00 1.76 1.83 0.00 0.00 0.00 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 0.00 182 Y 7.36 4.37 0.00 2.91 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 0.00 183 H 7.79 4.41 0.00 3.16 3.37 0.00 5.64 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 A 7.38 4.28 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 *186 A 7.35 4.17 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 0.00 187 R 7.87 4.24 0.00 1.81 1.85 0.00 3.43 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.