NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5975 8.2227 120.3150 53.2919 40.7299 176.0541 3 Q 3.6564 8.7985 124.9388 58.9921 29.3497 175.0449 4 E 3.9065 8.2898 120.3452 59.0031 29.9120 177.8537 5 T 4.0602 7.9560 109.4700 64.5687 68.8944 176.2584 6 V 3.6957 7.7027 121.2153 65.4767 31.2904 178.2932 7 G 3.6004 8.3932 105.7443 47.8049 0.0000 176.6245 8 N 4.8437 7.9947 116.9784 52.8273 37.9200 177.0966 9 V 4.5595 8.7076 111.1222 60.9232 37.8172 176.9569 10 V 3.5670 7.8125 119.6795 66.2333 31.2310 177.6542 11 L 3.9224 7.9658 117.7321 58.0794 41.5261 179.5262 12 L 3.5064 7.6995 117.8072 57.3064 41.3271 179.3516 13 A 4.2672 8.2940 121.0033 55.7653 18.3510 179.0726 14 I 3.6020 8.4234 118.5664 64.9675 37.1673 178.5644 15 V 3.5766 8.5475 119.6493 65.6021 30.9434 178.6925 16 T 4.1752 7.8885 117.3155 65.9388 68.3362 176.7088 17 L 4.0457 8.5961 121.2596 57.8697 41.5612 179.3290 18 I 3.7330 8.1788 120.3697 64.5536 36.9931 178.3141 19 S 4.1756 8.4315 115.0986 61.7539 62.3813 176.9661 20 V 3.5923 7.8972 122.2673 64.4252 31.3395 178.6521 21 V 3.7725 7.9107 120.0516 64.6625 31.5482 178.1595 22 Q 4.3110 8.5021 119.8733 59.0386 28.0490 178.4830 23 N 3.8228 8.6989 118.8470 55.7595 38.4001 177.6255 24 G 3.6326 8.5207 107.5279 47.5576 0.0000 175.5023 25 F 4.5379 8.4573 122.9201 61.3279 39.5650 176.8518 26 F 4.1364 8.8502 117.0412 60.6773 38.5527 177.1228 27 A 4.3595 7.6651 117.1248 53.6275 18.5218 178.1532 28 H 4.5836 8.1788 117.2542 58.3555 30.0455 177.1131 29 K 4.0723 8.7492 119.9550 58.7074 31.8741 179.1212 30 V 4.0888 7.4979 117.7620 65.3077 31.5386 177.4920 31 E 3.7994 8.0996 119.2955 59.2801 29.4057 178.2615 32 H 4.1527 8.1024 115.8019 59.2773 28.6086 177.4392 33 E 4.1022 7.1950 120.2556 58.7580 29.4299 179.0350 34 S 3.4565 7.2171 112.6968 60.9726 62.3630 176.6215 35 R 3.8661 8.1137 121.1882 59.6894 29.9271 179.3326 36 T 3.8975 7.5525 109.5615 63.3637 68.9727 172.4492 37 Q 4.5347 9.1437 127.1684 55.9677 34.7978 176.6429 38 N 4.2171 9.3511 115.6639 56.7028 38.8569 177.4774 39 G 4.5041 7.8390 106.2044 49.7303 0.0000 172.5945 40 R 3.7211 7.8394 119.6901 58.6881 29.8882 176.5768 41 S 3.8985 8.4007 121.1870 65.3415 59.3872 171.4655 42 F 4.1968 7.9171 119.5356 59.8950 36.9286 175.5753 43 Q 3.9229 7.7821 121.3857 55.9025 29.4868 177.9815 44 R 3.4845 7.7910 120.0655 53.8581 28.5015 175.4245 45 T 4.7213 6.9890 129.2471 63.0194 69.3220 174.0109 46 G 3.8408 7.7149 108.3008 46.0482 0.0000 172.3509 47 T 3.6823 8.0036 114.6695 60.5271 71.1930 172.8810 48 L 3.4539 7.8498 122.8230 56.3974 41.5228 177.8823 49 A 3.7855 8.3071 116.6432 54.4738 18.9556 179.0701 50 F 4.6640 8.1642 117.1860 60.8239 39.4658 177.7712 51 E 3.9142 8.0223 117.7049 59.5123 29.3518 179.4315 52 R 3.7148 8.6439 118.6519 58.8890 29.9588 179.3989 53 V 3.5986 7.4044 118.0075 66.2410 31.6696 177.2640 54 Y 4.4062 8.6521 119.7024 61.2773 37.9906 178.2960 55 T 3.5590 7.8917 116.1003 66.5309 68.3579 176.0665 56 A 4.1213 7.2735 121.3289 55.4271 18.6580 179.0555 57 N 3.9438 8.2247 115.4074 56.6653 38.9821 176.6485 58 Q 3.9590 8.0280 117.2369 57.5519 29.0236 176.5263 59 N 5.0648 7.6479 116.0488 56.0565 39.6397 176.5185 60 C 4.2510 7.8870 117.1603 61.5957 28.1775 176.0563 61 V 3.7455 7.6592 119.2124 65.6363 31.3293 176.8909 62 D 4.6224 7.7390 116.2892 55.6050 41.0303 177.9272 63 A 4.5084 8.0565 121.4615 55.4882 19.4518 178.8605 64 Y 4.6254 8.1673 118.1857 60.3909 39.0649 176.2244 65 P 4.1067 0.0000 0.0000 66.7475 30.9005 178.2510 66 T 3.8712 7.9810 115.7568 65.4377 68.3546 176.3700 67 F 4.5091 8.5364 123.0735 61.4291 39.5500 177.0168 68 L 3.1794 8.0500 118.6859 58.2103 41.3464 178.6789 69 A 3.8727 8.2025 119.6846 56.0941 18.1342 179.8338 70 V 3.5892 7.8522 108.5389 63.3460 31.8012 178.4290 71 L 3.6924 8.0883 120.4636 58.0924 41.6260 179.2367 72 W 4.0004 8.1175 118.3814 59.5783 28.8307 178.6916 73 S 4.0777 8.2196 113.9784 61.6043 62.0783 176.6307 74 A 4.2489 7.9213 125.8550 54.4703 18.0018 179.9700 75 G 3.5069 7.7370 103.9792 46.9766 0.0000 175.5004 76 L 4.1057 7.8640 120.6213 57.2030 42.6856 178.7925 77 L 4.0441 8.0514 118.7492 55.4711 41.5399 177.0124 78 C 5.2920 7.4097 114.5379 59.4200 32.0515 172.8542 79 S 4.4516 8.5808 126.9855 57.4269 59.8172 168.2052 80 Q 3.7199 7.2739 122.3872 56.8566 29.8762 175.7909 81 V 3.6703 7.6960 116.0527 64.6801 31.4924 176.7912 82 P 4.2596 0.0000 0.0000 64.9796 31.2733 178.1869 83 A 3.7279 7.9921 118.8240 55.2911 18.0253 179.1018 84 A 3.7311 9.2572 117.4379 55.4209 18.7219 179.4233 85 F 4.0954 8.4380 118.6278 61.2429 39.3146 177.1220 86 A 4.2908 8.5501 119.9153 55.4994 18.4505 179.5785 87 G 3.8768 8.3281 104.1552 47.6010 0.0000 175.8259 88 L 3.6351 7.3058 119.9662 55.4037 41.8345 178.0096 *90 Y 4.2404 7.8056 118.9548 57.0389 40.4537 176.7771 91 L 4.2168 7.6117 119.4817 58.0708 41.5641 179.8927 92 F 4.6399 7.9442 117.3436 60.8348 38.9865 177.9304 93 V 3.8024 7.9925 117.3471 66.1109 31.1908 178.0712 94 R 4.6074 8.9099 118.1558 59.4458 30.0076 178.5999 95 Q 4.3203 8.4454 119.2973 59.5497 29.1083 178.4892 96 K 4.0175 8.7562 119.7827 59.7830 32.1951 178.5885 97 Y 4.3302 8.7703 120.1553 60.6884 38.6347 177.3414 98 F 4.0845 8.7184 121.1025 61.4506 39.6411 177.1959 99 V 3.4818 8.4400 117.8367 65.9761 31.2400 178.1933 100 G 3.9270 8.3027 104.0353 47.2163 0.0000 173.2482 101 Y 5.0491 7.3826 120.3627 58.5801 39.6068 176.2131 102 L 4.0248 8.2400 121.0652 54.0180 43.6442 181.5699 103 G 4.1599 8.0884 110.4328 46.1220 0.0000 172.4547 104 E 3.7333 9.2855 122.3358 57.2255 26.9685 176.1567 105 R 3.8562 8.0762 117.1159 56.6821 27.6367 172.6247 106 T 3.2818 8.6266 121.2330 63.8741 68.2435 171.7263 107 Q 4.1228 8.5978 124.1098 56.3906 27.2604 175.1377 108 S 4.2775 8.5490 115.6093 58.6349 63.4429 175.5548 109 T 3.4375 8.7193 125.1554 64.4356 65.9113 173.1559 110 P 4.1020 0.0000 0.0000 65.4542 31.9544 177.9376 111 G 3.6385 7.3075 106.9929 46.1670 0.0000 172.7655 112 Y 4.4521 8.6531 125.1060 59.6575 39.3277 175.3347 113 I 4.2481 7.2286 112.0777 60.7494 39.7690 173.1333 114 F 4.3522 8.4874 121.3590 57.9447 41.0456 175.0550 115 G 2.9926 5.9356 110.9707 47.1329 0.0000 177.3863 116 K 3.4545 8.5238 117.6764 56.3769 31.9916 176.7420 117 R 3.8398 9.2313 126.1158 60.4665 30.4861 175.4998 118 I 3.7651 7.5757 119.4292 64.6851 37.1225 178.5296 119 I 3.9302 7.6036 112.9579 63.5152 37.5746 177.7443 120 L 3.9102 8.2539 123.0119 57.9333 41.6932 178.6773 121 F 4.4000 8.5731 119.6858 61.6103 39.5238 176.5322 122 L 3.6709 7.6986 117.1241 57.8748 41.6774 179.1666 123 F 4.2695 8.7238 120.7761 60.9652 39.3454 177.9812 124 L 4.4741 8.1214 118.6612 54.8601 41.4671 179.5440 *126 S 4.2674 8.0958 116.2245 58.6226 64.5720 176.7132 127 V 3.6395 7.8810 117.8840 64.0599 31.2295 177.0234 128 A 4.2220 8.5739 123.6814 53.3869 17.9090 179.0750 129 G 4.3944 8.3122 104.3395 46.5278 0.0000 174.6641 130 I 3.5519 7.5540 119.6510 63.5910 38.0732 177.2459 131 F 4.3348 8.5480 121.3784 60.8213 39.7575 177.0895 132 N 3.5666 8.3463 115.9472 56.4475 38.5076 176.0084 133 Y 3.9183 8.2855 121.4931 60.8915 38.7432 177.2588 134 Y 4.0710 7.5192 116.0629 60.6747 37.9731 178.5904 135 L 3.4561 7.0449 119.8058 57.3886 42.1761 178.9286 136 I 3.6336 7.2601 118.7476 63.4919 36.8548 177.8568 137 F 4.4207 7.1321 120.6820 60.6421 39.4101 176.4233 138 F 4.5149 7.7258 117.0570 59.5764 39.0870 177.8051 139 F 4.6827 7.5556 117.4009 59.3442 39.2763 177.9114 140 G 3.9994 8.2127 106.7171 45.1928 0.0000 174.2177 141 S 4.3045 7.8889 114.7134 56.3597 62.7980 178.2835 142 D 4.0505 9.9814 120.7337 54.8848 39.8472 174.8728 143 F 3.9356 9.0017 114.5830 57.8345 37.9613 176.1722 144 E 3.3276 7.8431 125.8740 58.1088 29.5910 178.4316 145 N 4.4053 7.2448 126.0139 51.3701 36.5832 176.2625 146 Y 4.4547 6.4408 120.6989 59.1411 37.0821 179.6506 147 I 4.0492 7.1337 121.9396 61.6407 35.3107 176.8655 148 A 4.1851 7.7573 126.0407 52.3303 18.2670 177.8389 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 2 D 8.22 4.60 0.00 2.84 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 8.80 3.66 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.05 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 4 E 8.29 3.91 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 5 T 7.96 4.06 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 6 V 7.70 3.70 2.25 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 1.02 0.00 0.00 1.00 0.00 0.00 7 G 8.39 3.60 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 0.00 0.00 0.00 8 N 7.99 4.84 0.00 2.84 2.85 0.00 0.00 6.90 7.83 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 9 V 8.71 4.56 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 0.82 0.00 0.00 1.14 0.00 0.00 10 V 7.81 3.57 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.04 0.00 0.00 11 L 7.97 3.92 0.00 1.60 1.67 0.92 0.67 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 12 L 7.70 3.51 0.00 1.08 0.13 0.62 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.29 4.27 1.48 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 0.00 0.00 14 I 8.42 3.60 2.01 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 1.59 0.71 0.91 0.00 0.00 15 V 8.55 3.58 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 0.69 0.00 0.00 0.88 0.00 0.00 16 T 7.89 4.18 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 17 L 8.60 4.05 0.00 1.90 1.75 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.18 3.73 2.09 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 1.62 0.52 0.96 0.00 0.00 19 S 8.43 4.18 0.00 4.15 4.32 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 20 V 7.90 3.59 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 0.88 0.00 0.00 1.00 0.00 0.00 21 V 7.91 3.77 2.31 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 0.96 0.00 0.00 0.96 0.00 0.00 22 Q 8.50 4.31 0.00 2.51 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.31 1.85 0.00 23 N 8.70 3.82 0.00 2.69 2.66 0.00 0.00 6.92 7.11 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 24 G 8.52 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 8.46 4.54 0.00 3.14 3.53 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 26 F 8.85 4.14 0.00 3.01 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.67 4.36 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 28 H 8.18 4.58 0.00 3.38 3.73 0.00 5.79 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 29 K 8.75 4.07 0.00 1.95 1.88 0.00 1.63 0.00 0.00 1.87 0.00 0.00 3.17 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.69 1.50 7.81 30 V 7.50 4.09 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 1.24 0.00 0.00 1.21 0.00 0.00 31 E 8.10 3.80 0.00 2.07 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 0.00 2.25 2.33 0.00 32 H 8.10 4.15 0.00 3.10 3.26 0.00 5.69 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 33 E 7.20 4.10 0.00 1.62 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 2.49 2.61 0.00 34 S 7.22 3.46 0.00 4.11 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 35 R 8.11 3.87 0.00 2.15 1.90 0.00 3.22 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 36 T 7.55 3.90 4.19 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 1.21 0.00 0.00 37 Q 9.14 4.53 0.00 2.04 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.70 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 38 N 9.35 4.22 0.00 2.81 2.87 0.00 0.00 6.80 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.84 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.84 3.72 0.00 1.91 1.99 0.00 3.19 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 41 S 8.40 3.90 0.00 4.05 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 42 F 7.92 4.20 0.00 2.95 3.32 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 43 Q 7.78 3.92 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 2.59 2.43 0.00 44 R 7.79 3.48 0.00 1.32 1.23 0.00 3.02 0.00 0.00 3.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.36 0.00 45 T 6.99 4.72 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 1.10 0.00 0.00 46 G 7.71 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.00 3.68 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 1.28 0.00 0.00 48 L 7.85 3.45 0.00 1.89 1.26 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.31 3.79 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 50 F 8.16 4.66 0.00 3.00 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 51 E 8.02 3.91 0.00 2.21 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 52 R 8.64 3.71 0.00 1.92 1.99 0.00 3.11 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 53 V 7.40 3.60 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 1.31 0.00 0.00 1.02 0.00 0.00 54 Y 8.65 4.41 0.00 3.22 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.89 3.56 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 1.07 0.00 0.00 56 A 7.27 4.12 1.48 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 0.00 0.00 57 N 8.22 3.94 0.00 2.46 2.86 0.00 0.00 6.88 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.03 3.96 0.00 1.19 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.56 0.00 0.00 0.00 0.00 0.00 2.00 2.27 0.00 59 N 7.65 5.06 0.00 3.09 3.02 0.00 0.00 6.98 7.54 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 60 C 7.89 4.25 0.00 2.94 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 61 V 7.66 3.75 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 0.92 0.00 0.00 0.94 0.00 0.00 62 D 7.74 4.62 0.00 2.94 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 63 A 8.06 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 8.17 4.63 0.00 3.28 3.01 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 65 P 0.00 4.11 0.00 2.31 2.29 0.00 3.90 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.15 0.00 66 T 7.98 3.87 4.36 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 1.28 0.00 0.00 67 F 8.54 4.51 0.00 3.14 3.33 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 68 L 8.05 3.18 0.00 1.46 1.44 0.29 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.20 3.87 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 70 V 7.85 3.59 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.16 0.00 0.00 71 L 8.09 3.69 0.00 1.15 1.33 0.14 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 72 W 8.12 4.00 0.00 3.35 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 73 S 8.22 4.08 0.00 3.97 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 74 A 7.92 4.25 1.33 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 0.00 0.00 75 G 7.74 3.51 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 0.00 0.00 0.00 76 L 7.86 4.11 0.00 1.73 1.72 1.05 1.36 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 77 L 8.05 4.04 0.00 1.89 1.66 0.86 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 78 C 7.41 5.29 0.00 3.10 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 79 S 8.58 4.45 0.00 4.00 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 0.00 80 Q 7.27 3.72 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.73 0.00 0.00 0.00 0.00 0.00 2.14 2.56 0.00 81 V 7.70 3.67 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 0.87 0.00 0.00 0.93 0.00 0.00 82 P 0.00 4.26 0.00 2.25 2.29 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 83 A 7.99 3.73 1.17 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 0.00 0.00 84 A 9.26 3.73 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 85 F 8.44 4.10 0.00 3.13 3.26 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 86 A 8.55 4.29 1.40 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 0.00 0.00 0.00 87 G 8.33 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.31 3.64 0.00 1.46 1.34 -0.08 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 *90 Y 7.81 4.24 0.00 2.72 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 91 L 7.61 4.22 0.00 1.89 1.80 1.03 1.27 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 92 F 7.94 4.64 0.00 2.94 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 93 V 7.99 3.80 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.86 0.00 0.00 94 R 8.91 4.61 0.00 2.49 2.50 0.00 3.81 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.58 0.00 95 Q 8.45 4.32 0.00 2.69 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.59 2.60 0.00 96 K 8.76 4.02 0.00 2.10 1.95 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.54 7.81 97 Y 8.77 4.33 0.00 3.19 3.48 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 98 F 8.72 4.08 0.00 2.61 2.80 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 99 V 8.44 3.48 2.29 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 0.94 0.00 0.00 0.83 0.00 0.00 100 G 8.30 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 7.38 5.05 0.00 3.14 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.24 4.02 0.00 1.86 1.54 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 103 G 8.09 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 0.00 104 E 9.29 3.73 0.00 2.14 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 2.20 2.38 0.00 105 R 8.08 3.86 0.00 2.00 2.03 0.00 3.54 0.00 0.00 3.24 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 106 T 8.63 3.28 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 1.23 0.00 0.00 107 Q 8.60 4.12 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.08 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 108 S 8.55 4.28 0.00 4.35 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.72 3.44 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 1.20 0.00 0.00 110 P 0.00 4.10 0.00 2.01 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 2.02 2.15 0.00 111 G 7.31 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 8.65 4.45 0.00 2.85 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 I 7.23 4.25 1.86 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 1.45 0.97 0.83 0.00 0.00 114 F 8.49 4.35 0.00 2.81 2.27 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 0.00 115 G 5.94 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 0.00 0.00 0.00 116 K 8.52 3.45 0.00 1.81 1.39 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.46 7.81 117 R 9.23 3.84 0.00 1.82 1.95 0.00 3.16 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 118 I 7.58 3.77 1.76 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 1.63 0.61 0.80 0.00 0.00 119 I 7.60 3.93 2.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.49 1.10 0.00 0.00 120 L 8.25 3.91 0.00 1.74 1.87 0.97 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 121 F 8.57 4.40 0.00 2.86 3.38 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 0.00 122 L 7.70 3.67 0.00 1.88 1.71 0.51 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.72 4.27 0.00 3.17 3.26 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 0.00 124 L 8.12 4.47 0.00 2.23 1.82 1.30 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 *126 S 8.10 4.27 0.00 3.79 3.75 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 0.00 127 V 7.88 3.64 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.91 0.00 0.00 128 A 8.57 4.22 1.40 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 0.00 0.00 0.00 129 G 8.31 4.39 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 0.00 130 I 7.55 3.55 2.04 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.93 0.81 0.00 0.00 131 F 8.55 4.33 0.00 3.02 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 0.00 132 N 8.35 3.57 0.00 2.77 3.00 0.00 0.00 6.76 7.56 0.00 0.00 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 Y 8.29 3.92 0.00 2.92 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 0.00 134 Y 7.52 4.07 0.00 2.87 2.46 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 0.00 135 L 7.04 3.46 0.00 1.46 1.41 0.81 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 136 I 7.26 3.63 1.71 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.03 0.82 0.00 0.00 137 F 7.13 4.42 0.00 2.11 2.45 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 0.00 138 F 7.73 4.51 0.00 2.28 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 0.00 139 F 7.56 4.68 0.00 2.94 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 0.00 140 G 8.21 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.89 4.30 0.00 3.89 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 0.00 142 D 9.98 4.05 0.00 3.18 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 0.00 143 F 9.00 3.94 0.00 3.17 3.45 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 0.00 144 E 7.84 3.33 0.00 1.68 1.12 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 2.36 2.07 0.00 145 N 7.24 4.41 0.00 2.53 2.54 0.00 0.00 7.05 8.82 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 0.00 146 Y 6.44 4.45 0.00 2.94 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 0.00 147 I 7.13 4.05 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.50 0.89 0.00 0.00 148 A 7.76 4.19 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 * Residues marked with a * may have inaccurate shift predictions.