NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.9451 8.3049 118.3830 55.3335 33.0462 174.2414 2 I 4.5396 8.3802 120.5667 59.1831 40.7185 173.1573 3 I 4.6466 8.1180 126.2209 59.9427 40.7873 174.5848 4 S 4.2945 7.7834 119.8006 58.1666 66.7910 173.1656 5 S 4.8710 8.0165 111.8936 56.4636 65.1181 175.6544 6 L 3.2650 8.9014 128.0183 57.7933 41.4662 178.7016 7 T 4.1438 7.5561 113.7152 65.1507 69.0967 174.8175 8 N 4.6479 7.9589 120.5515 52.5889 39.0204 174.1785 9 P 4.6792 0.0000 0.0000 63.9636 32.0586 176.5432 10 N 4.9294 7.9883 115.5824 52.7756 38.9764 176.2078 11 F 4.4766 8.0703 114.5293 58.9815 38.2570 176.2810 12 K 3.9049 7.0921 120.1470 57.1328 32.3677 176.6755 13 V 3.6870 7.1313 119.6722 64.5884 31.5047 175.4947 14 G 4.1107 8.9723 116.0462 45.4048 0.0000 173.5727 15 L 4.2750 7.3526 119.2771 53.5843 42.3869 175.8269 16 P 4.3709 0.0000 0.0000 62.6089 32.9708 177.4955 17 K 3.8642 8.8992 121.8673 60.0505 32.0628 179.7716 18 V 3.9310 7.6522 119.8216 64.3119 31.4388 178.4332 19 I 3.7047 7.7498 119.8227 63.8984 37.0140 177.6923 20 A 4.0967 8.1847 121.7983 55.6032 17.6267 179.6322 21 E 3.9737 8.5559 117.0908 59.5554 29.5247 180.0690 22 V 3.7403 7.8099 112.4793 64.6247 31.6183 178.3065 23 C 3.9725 8.0868 116.4574 63.0201 27.7056 176.0274 24 D 4.5141 8.4078 119.8748 57.4148 40.6712 177.9180 25 Y 4.2525 8.1061 120.2408 60.6775 38.8376 177.8460 26 L 3.7381 8.4236 120.2080 57.5320 41.4574 178.8469 27 N 4.4717 7.8853 114.9772 55.3609 38.5466 176.5178 28 T 4.1477 7.3835 116.0076 63.4884 69.0555 174.4191 29 L 4.4185 6.7078 120.6858 52.8768 43.7382 176.4681 30 D 4.5685 8.1109 120.5506 53.0541 39.5764 176.7738 31 L 4.0272 8.1782 126.9959 57.3484 42.1571 179.6214 32 N 4.2807 7.9039 114.4646 55.6682 38.4659 175.6646 33 A 4.4614 7.6637 117.9846 51.6384 19.9167 177.0582 34 L 3.8943 7.2246 114.8719 55.1808 42.1267 177.3264 35 E 4.2097 8.6974 122.8873 55.7701 30.2258 176.6011 36 N 4.4326 8.6037 119.9341 54.7594 39.4363 173.4433 37 G 3.6848 8.1643 106.0958 43.8752 0.0000 172.4165 38 R 4.8484 8.2849 119.3576 56.1789 31.2222 176.1195 39 H 4.9803 9.6403 122.3827 54.2990 32.6645 172.4136 40 D 5.1044 8.9113 122.7810 53.7292 41.7586 176.2563 41 I 4.2535 8.7097 121.0432 62.1805 39.6012 175.1099 42 N 5.0867 7.6875 114.2174 51.1528 42.7530 173.6161 43 D 4.5726 8.9076 118.1942 57.8176 40.8422 178.3895 44 Q 4.3864 8.0513 115.4663 56.8432 29.8155 175.8295 45 I 4.9764 7.9215 118.2683 58.7119 40.3305 174.6062 46 Y 5.6050 8.1098 123.4543 55.6112 42.2812 173.4244 47 M 5.1378 9.4575 115.3235 54.0055 35.2781 173.5273 48 N 5.6393 8.9722 117.8051 51.5725 41.5509 174.2057 49 V 4.9625 8.9002 122.7814 60.6098 34.8960 174.3911 50 M 4.9621 8.9598 120.5576 54.5104 37.0569 174.1554 51 E 5.7107 8.4594 118.5439 53.7386 29.5533 173.3392 52 P 4.6421 0.0000 0.0000 62.5604 34.0466 175.9307 53 E 5.0510 8.3774 118.9197 54.2400 31.5224 176.6308 54 T 4.1443 8.6236 114.7259 62.4773 69.4254 173.3058 55 A 4.9647 9.1332 126.5370 49.3832 22.9773 175.3368 56 E 4.1817 8.7500 117.9617 55.8413 30.6743 175.9286 57 P 4.1685 0.0000 0.0000 65.9478 31.3885 178.2299 58 S 4.3813 7.9616 108.9223 59.5915 63.0099 174.7366 59 S 4.3986 8.0757 115.9534 59.2091 63.4380 173.9547 60 K 4.6563 7.6038 118.7612 54.8856 35.4713 175.3567 61 K 4.5336 8.2167 118.5285 54.7944 33.7329 176.6561 62 A 4.4063 8.3514 125.5414 52.1699 19.9173 176.0355 63 E 5.5757 9.1916 116.6422 53.8904 34.0155 174.0108 64 L 4.8311 8.1417 119.0624 55.1815 44.7263 173.7602 65 H 5.3647 8.3746 114.1487 55.1006 32.9965 174.0881 66 H 4.1878 10.0113 116.9084 56.7101 30.5875 175.6991 67 E 4.5203 8.8001 117.3501 57.0516 31.5140 175.8461 68 Y 5.2680 8.2312 115.4590 55.9217 40.5815 175.9938 69 L 4.6554 9.1976 122.8822 55.6058 42.8683 175.1408 70 D 5.3365 8.7462 120.5176 52.8926 43.5139 175.7105 71 V 4.2970 8.7363 123.4321 61.4570 33.4776 174.0992 72 Q 4.9922 8.7043 128.0227 54.6742 30.8469 175.4987 73 V 4.8938 8.7705 116.6465 59.4185 35.8575 174.5005 74 L 4.5560 8.3952 127.1507 55.0333 42.9084 176.4156 75 I 4.1768 8.8637 126.6173 62.4472 39.1117 176.1092 76 R 4.4166 7.7792 120.8732 55.8642 33.4449 174.9021 77 G 4.1066 10.3136 110.5420 44.6556 0.0000 172.1522 78 T 4.9192 7.9099 115.6835 62.4212 72.8802 173.2318 79 E 4.7200 9.1950 125.4026 54.8299 33.6829 173.3894 80 N 5.4441 8.5429 122.2151 51.8703 41.4652 174.0721 81 I 4.8704 8.3985 122.8106 59.5345 40.9057 174.6822 82 E 4.5746 8.6299 127.1738 56.3624 30.7639 176.4861 83 V 4.7030 8.4408 115.6801 59.7445 36.8141 174.2758 84 G 4.4140 8.2170 108.2772 44.7642 0.0000 172.7668 85 A 4.7564 9.1975 126.0324 52.4087 20.1540 177.1732 86 T 4.4648 7.7286 105.9588 60.1603 70.2662 173.9901 87 Y 4.1669 8.7793 125.1185 57.8217 39.0064 174.3880 88 P 4.4492 0.0000 0.0000 62.7924 33.0529 175.7638 89 N 4.6894 8.6998 119.4775 52.3451 38.8475 175.4085 90 L 4.1250 8.6222 128.0837 57.4289 42.1133 179.8641 91 S 4.4572 7.7092 111.4356 60.8244 62.6694 175.2569 92 K 4.3707 7.9915 118.1581 56.5821 32.2796 175.6705 93 Y 4.5807 8.1956 117.7372 56.2648 39.4717 175.4985 94 E 4.2922 9.0348 123.2293 56.3706 30.5450 176.4384 95 D 4.6454 8.5368 119.9740 54.5331 41.7381 176.3143 96 Y 4.1796 8.6250 122.7370 57.4937 39.6515 174.2426 97 N 4.3572 8.6359 127.3742 51.8267 38.6209 175.1032 98 E 3.2955 8.0996 127.3973 58.3675 30.2685 177.8402 99 A 4.0838 7.9654 121.0081 54.8419 18.5924 177.6979 100 D 4.5943 8.2258 112.3814 53.5412 41.7778 175.9658 101 D 4.2784 7.7355 117.4181 53.0765 39.0373 171.0101 102 Y 5.2819 7.0865 118.2134 56.4414 42.5261 175.0902 103 Q 4.8698 9.1551 118.1125 54.3810 33.6223 174.4252 104 L 5.4122 8.6782 120.4825 53.6272 45.7367 174.8840 105 C 4.5285 8.4301 119.7053 57.8039 34.5993 174.7995 106 A 3.9596 8.6247 128.3369 55.0691 18.1965 177.2039 107 D 4.7326 7.3934 112.0454 52.9908 45.1278 174.2902 108 I 4.4056 7.9502 121.2983 59.7119 38.7281 175.7788 109 D 4.5437 8.6151 125.0962 55.3308 41.4163 175.5501 110 D 4.5216 8.8234 120.8599 55.0562 38.6321 174.2164 111 K 4.6499 8.0508 116.5770 57.3561 33.7606 175.3669 112 F 5.0263 8.5597 115.4709 56.4154 41.9532 172.6772 113 T 4.9042 8.6655 115.5167 61.7892 70.8714 173.9717 114 V 4.3570 9.0167 126.6611 61.8561 33.5189 174.4358 115 T 5.3218 8.4565 124.2946 61.7584 70.0954 173.7150 116 M 4.6633 9.3968 126.8255 53.5507 34.5446 175.4670 117 K 4.9331 8.3966 121.6680 53.3694 36.3103 173.7475 118 P 4.4593 0.0000 0.0000 64.7042 31.6755 177.3676 119 K 4.0925 9.3101 121.0096 56.6419 31.2069 176.2358 120 M 4.7442 7.8827 119.6688 55.2891 33.1165 175.4331 121 F 5.2689 8.6270 116.4248 55.0651 42.1025 173.1970 122 A 4.8754 8.8819 122.3197 50.0795 22.0565 175.1891 123 V 4.7802 8.4877 122.2156 60.5157 33.6823 174.5187 124 F 5.3368 8.0792 127.0139 55.9197 41.2363 175.3003 125 Y 4.6193 9.3930 122.6880 56.5150 39.5621 173.8249 126 P 4.5090 0.0000 0.0000 64.8225 31.6645 176.8390 127 Y 3.5227 8.0903 118.7766 57.8306 36.2712 168.9677 128 E 4.4274 7.8797 119.9021 54.9451 29.6839 174.8288 129 P 4.7963 0.0000 0.0000 62.7460 32.9414 175.3167 130 H 4.6107 8.5043 117.5175 54.3871 32.2652 172.4784 131 K 4.5980 8.9289 122.3445 54.0343 33.2256 173.7901 132 P 4.7969 0.0000 0.0000 61.7121 33.8265 175.5264 133 C 3.8601 9.9967 114.9097 61.1634 25.6724 173.3763 134 C 5.3550 7.9548 116.7165 58.2299 29.4705 173.5331 135 V 3.6543 8.1707 120.9616 63.4305 31.9549 175.1745 *141 E 4.1601 8.6428 125.5008 56.1818 31.0868 174.3741 142 K 5.0722 8.6809 125.1179 54.7705 34.4595 174.8457 143 I 4.8177 8.4757 118.8040 59.1712 42.0302 173.4291 144 K 5.1310 8.6706 123.4420 54.6364 34.9646 174.9036 145 K 4.9723 8.9120 124.9020 56.2782 36.7968 173.9915 146 L 5.0672 8.8296 121.0369 53.7408 46.0921 174.7240 147 V 4.8855 8.9559 118.5513 59.5765 35.3114 174.6358 148 V 4.4771 8.9419 125.7004 61.5790 33.2551 174.5075 149 K 4.8527 8.4487 127.3549 54.5745 34.4759 175.3458 150 V 4.5145 8.6901 124.7712 60.1789 34.7860 173.1684 151 P 4.2596 0.0000 0.0000 62.7634 31.8782 177.9691 152 V 3.7717 8.5520 116.7918 63.9553 31.6594 178.4503 153 K 4.2311 7.9091 117.6587 58.8956 32.4294 177.5408 154 L 4.2404 7.7363 118.6474 55.7884 41.9481 176.9508 155 I 4.0219 8.1310 125.4235 61.5379 37.0483 175.6012 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 1 M 8.30 4.95 0.00 2.44 2.41 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.78 0.00 2 I 8.38 4.54 1.92 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.09 0.97 0.00 0.00 3 I 8.12 4.65 1.80 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.93 0.82 0.00 0.00 4 S 7.78 4.29 0.00 3.48 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 5 S 8.02 4.87 0.00 3.74 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 6 L 8.90 3.26 0.00 1.54 1.69 0.81 0.18 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 7 T 7.56 4.14 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 1.22 0.00 0.00 8 N 7.96 4.65 0.00 3.16 2.85 0.00 0.00 6.85 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.68 0.00 2.08 2.14 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 10 N 7.99 4.93 0.00 2.75 2.77 0.00 0.00 6.88 8.13 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 11 F 8.07 4.48 0.00 3.41 3.43 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 12 K 7.09 3.90 0.00 1.48 1.66 0.00 1.52 0.00 0.00 1.70 0.00 0.00 2.63 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.81 0.21 7.81 13 V 7.13 3.69 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 0.74 0.00 0.00 0.94 0.00 0.00 14 G 8.97 4.11 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 0.00 0.00 0.00 15 L 7.35 4.28 0.00 1.94 1.68 1.22 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.37 0.00 2.24 2.06 0.00 3.76 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 17 K 8.90 3.86 0.00 1.80 1.90 0.00 1.67 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.55 7.81 18 V 7.65 3.93 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 1.06 0.00 0.00 0.94 0.00 0.00 19 I 7.75 3.70 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.90 0.86 0.00 0.00 20 A 8.18 4.10 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 21 E 8.56 3.97 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.65 0.00 22 V 7.81 3.74 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 0.79 0.00 0.00 0.86 0.00 0.00 23 C 8.09 3.97 0.00 3.26 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 24 D 8.41 4.51 0.00 2.84 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 25 Y 8.11 4.25 0.00 3.12 3.22 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 26 L 8.42 3.74 0.00 1.52 1.56 0.79 0.64 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 27 N 7.89 4.47 0.00 2.86 2.87 0.00 0.00 7.04 7.69 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 28 T 7.38 4.15 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 1.16 0.00 0.00 29 L 6.71 4.42 0.00 1.57 1.43 0.47 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.11 4.57 0.00 2.64 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 31 L 8.18 4.03 0.00 1.74 1.65 0.85 0.61 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 32 N 7.90 4.28 0.00 2.91 2.87 0.00 0.00 6.90 7.23 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 33 A 7.66 4.46 1.30 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 0.00 0.00 34 L 7.22 3.89 0.00 1.85 1.62 0.82 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.70 4.21 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 36 N 8.60 4.43 0.00 2.72 2.78 0.00 0.00 7.14 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 37 G 8.16 3.68 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 0.00 0.00 0.00 38 R 8.28 4.85 0.00 1.83 1.80 0.00 2.90 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 39 H 9.64 4.98 0.00 3.04 3.20 0.00 5.66 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.91 5.10 0.00 2.59 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 41 I 8.71 4.25 1.97 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 1.36 0.67 0.55 0.00 0.00 42 N 7.69 5.09 0.00 2.79 2.77 0.00 0.00 6.89 8.06 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 43 D 8.91 4.57 0.00 2.65 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 44 Q 8.05 4.39 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 45 I 7.92 4.98 1.87 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 1.05 1.15 0.92 0.00 0.00 46 Y 8.11 5.60 0.00 3.09 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 47 M 9.46 5.14 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.74 0.00 48 N 8.97 5.64 0.00 2.69 2.78 0.00 0.00 6.74 6.97 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 49 V 8.90 4.96 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 0.84 0.00 0.00 0.94 0.00 0.00 50 M 8.96 4.96 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.57 0.00 51 E 8.46 5.71 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.39 0.00 52 P 0.00 4.64 0.00 2.10 2.20 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 53 E 8.38 5.05 0.00 1.84 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 2.21 2.26 0.00 54 T 8.62 4.14 4.34 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 1.23 0.00 0.00 55 A 9.13 4.96 1.18 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 0.00 0.00 56 E 8.75 4.18 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 57 P 0.00 4.17 0.00 2.17 2.30 0.00 3.58 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 58 S 7.96 4.38 0.00 3.96 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 59 S 8.08 4.40 0.00 3.98 4.04 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 60 K 7.60 4.66 0.00 1.81 1.73 0.00 1.56 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.32 7.81 61 K 8.22 4.53 0.00 1.58 1.70 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.32 1.42 7.81 62 A 8.35 4.41 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 63 E 9.19 5.58 0.00 1.88 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 2.09 1.75 0.00 64 L 8.14 4.83 0.00 1.57 1.64 0.69 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 65 H 8.37 5.36 0.00 3.23 3.67 0.00 5.58 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 10.01 4.19 0.00 2.89 3.14 0.00 5.65 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.80 4.52 0.00 1.93 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 2.43 2.76 0.00 68 Y 8.23 5.27 0.00 2.88 2.83 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 0.00 0.00 0.00 69 L 9.20 4.66 0.00 1.74 1.87 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.75 5.34 0.00 2.75 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 71 V 8.74 4.30 1.98 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 0.78 0.00 0.00 0.82 0.00 0.00 72 Q 8.70 4.99 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.54 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 73 V 8.77 4.89 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 0.90 0.00 0.00 74 L 8.40 4.56 0.00 1.64 1.52 0.98 0.93 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 75 I 8.86 4.18 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.73 0.89 0.00 0.00 76 R 7.78 4.42 0.00 1.82 1.68 0.00 3.15 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 77 G 10.31 4.11 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 0.00 0.00 0.00 78 T 7.91 4.92 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 1.29 0.00 0.00 79 E 9.19 4.72 0.00 2.01 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 80 N 8.54 5.44 0.00 2.87 2.70 0.00 0.00 6.61 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.40 4.87 1.96 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.81 0.96 0.00 0.00 82 E 8.63 4.57 0.00 1.81 1.76 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 2.28 2.25 0.00 83 V 8.44 4.70 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 0.66 0.00 0.00 -0.08 0.00 0.00 84 G 8.22 4.41 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 0.00 85 A 9.20 4.76 1.53 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 0.00 0.00 86 T 7.73 4.46 4.34 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 1.30 0.00 0.00 87 Y 8.78 4.17 0.00 3.01 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 88 P 0.00 4.45 0.00 1.93 1.99 0.00 2.40 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.75 0.00 89 N 8.70 4.69 0.00 2.86 2.86 0.00 0.00 6.89 6.66 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 90 L 8.62 4.13 0.00 1.79 1.74 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 91 S 7.71 4.46 0.00 4.06 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 0.00 92 K 7.99 4.37 0.00 2.03 1.83 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.43 7.81 93 Y 8.20 4.58 0.00 3.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 9.03 4.29 0.00 2.02 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 2.37 2.32 0.00 95 D 8.54 4.65 0.00 2.57 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 96 Y 8.63 4.18 0.00 2.97 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 97 N 8.64 4.36 0.00 1.88 1.42 0.00 0.00 6.54 7.53 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 98 E 8.10 3.30 0.00 1.87 1.85 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 2.32 2.45 0.00 99 A 7.97 4.08 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 0.00 100 D 8.23 4.59 0.00 2.90 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 0.00 101 D 7.74 4.28 0.00 2.96 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 0.00 102 Y 7.09 5.28 0.00 3.28 3.18 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 0.00 103 Q 9.16 4.87 0.00 2.30 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 104 L 8.68 5.41 0.00 1.63 1.54 0.92 0.94 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 0.00 105 C 8.43 4.53 0.00 1.23 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 0.00 0.00 0.00 106 A 8.62 3.96 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 0.00 107 D 7.39 4.73 0.00 2.56 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 I 7.95 4.41 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.48 0.92 0.00 0.00 109 D 8.62 4.54 0.00 2.71 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 0.00 110 D 8.82 4.52 0.00 2.90 2.83 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 0.00 0.00 0.00 111 K 8.05 4.65 0.00 1.77 2.03 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.44 7.81 112 F 8.56 5.03 0.00 3.14 3.16 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 0.00 113 T 8.67 4.90 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 1.23 0.00 0.00 114 V 9.02 4.36 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 1.00 0.00 0.00 1.08 0.00 0.00 115 T 8.46 5.32 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 1.25 0.00 0.00 116 M 9.40 4.66 0.00 1.87 2.06 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.65 0.00 117 K 8.40 4.93 0.00 1.62 1.66 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.36 7.81 118 P 0.00 4.46 0.00 2.02 2.22 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 119 K 9.31 4.09 0.00 1.92 1.97 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.51 7.81 120 M 7.88 4.74 0.00 1.90 2.17 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 2.57 2.49 0.00 121 F 8.63 5.27 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 0.00 122 A 8.88 4.88 0.70 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 0.00 123 V 8.49 4.78 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 1.00 0.00 0.00 124 F 8.08 5.34 0.00 2.84 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 0.00 125 Y 9.39 4.62 0.00 3.16 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 0.00 126 P 0.00 4.51 0.00 2.24 2.12 0.00 4.04 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.41 0.00 127 Y 8.09 3.52 0.00 3.36 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 7.88 4.43 0.00 2.28 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 0.00 2.52 2.54 0.00 129 P 0.00 4.80 0.00 2.04 2.04 0.00 3.80 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 2.12 2.06 0.00 130 H 8.50 4.61 0.00 2.54 1.99 0.00 5.20 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.93 4.60 0.00 1.69 1.59 0.00 1.57 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.26 1.27 7.81 132 P 0.00 4.80 0.00 2.17 2.14 0.00 3.63 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 2.01 2.18 0.00 133 C 10.00 3.86 0.00 3.04 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 0.00 134 C 7.95 5.36 0.00 2.99 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 0.00 135 V 8.17 3.65 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 0.77 0.00 0.00 0.96 0.00 0.00 *141 E 8.64 4.16 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 2.29 2.38 0.00 142 K 8.68 5.07 0.00 1.74 1.66 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.55 7.81 143 I 8.48 4.82 2.02 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 1.23 0.72 0.93 0.00 0.00 144 K 8.67 5.13 0.00 1.83 1.64 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.30 1.47 7.81 145 K 8.91 4.97 0.00 1.95 1.86 0.00 1.35 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.39 7.81 146 L 8.83 5.07 0.00 1.69 1.45 0.86 0.86 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 0.00 147 V 8.96 4.89 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 0.75 0.00 0.00 0.89 0.00 0.00 148 V 8.94 4.48 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 0.99 0.00 0.00 0.88 0.00 0.00 149 K 8.45 4.85 0.00 0.79 0.87 0.00 1.28 0.00 0.00 1.55 0.00 0.00 2.63 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.97 0.94 7.81 150 V 8.69 4.51 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 1.00 0.00 0.00 0.91 0.00 0.00 151 P 0.00 4.26 0.00 2.11 1.68 0.00 3.65 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.73 0.00 152 V 8.55 3.77 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 0.95 0.00 0.00 1.07 0.00 0.00 153 K 7.91 4.23 0.00 1.85 1.93 0.00 1.55 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.44 7.81 154 L 7.74 4.24 0.00 1.83 1.76 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 155 I 8.13 4.02 2.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.94 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.