NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3837 8.3344 115.5476 58.2150 64.8909 172.5275 4 R 4.3582 8.3367 121.7991 54.4208 31.9537 173.8004 5 F 5.4142 9.6429 126.8574 56.3451 41.9987 174.6158 6 L 5.3225 9.0773 121.3279 53.0060 46.3835 175.1214 7 L 5.0965 9.0313 125.6219 53.6082 43.7974 175.0224 8 K 5.1418 9.1763 126.6445 55.0006 35.3230 175.4977 9 V 4.3572 8.7013 125.4165 62.9115 31.9253 176.3886 10 L 4.4319 8.9807 128.0003 55.1250 43.0241 177.3831 11 A 4.6307 7.8187 124.6326 52.0483 22.3050 173.9475 *13 A 4.4560 8.2639 126.3272 52.8402 19.3017 178.1555 14 N 5.0376 8.8361 118.6809 53.7978 38.7708 175.3868 15 I 3.8962 7.8948 116.5530 62.6195 36.0546 176.5634 16 G 4.2669 9.2546 114.0775 45.0569 0.0000 174.4368 17 A 4.0298 7.4781 120.2132 52.5221 19.3540 176.5110 18 E 5.1489 8.6862 121.7962 54.5952 33.0749 174.1671 19 F 5.0752 9.0582 128.4837 56.4559 42.8312 173.0366 20 H 4.6824 8.6348 126.5864 56.2907 30.3571 174.0602 21 L 3.9656 8.3125 126.6133 52.8425 42.6349 176.5279 22 D 4.5015 9.4355 125.4367 53.5364 41.6387 176.3465 23 S 4.2881 8.4786 117.4096 59.5941 63.6791 174.6171 24 G 3.9839 8.7978 110.8971 46.3203 0.0000 172.9010 25 K 4.7038 7.7507 118.4764 54.5583 35.9585 175.0566 26 T 5.2050 8.1107 117.5548 62.1287 71.4631 173.3372 27 Y 4.9254 9.2096 122.7419 56.3693 42.2673 174.2684 28 I 4.7714 9.2269 125.1724 59.9553 39.5599 174.6770 29 V 4.6531 8.7347 127.6365 61.5565 33.5637 175.0238 30 G 4.5725 8.5724 114.1496 46.2588 0.0000 172.9888 31 S 5.2674 8.8723 113.0554 58.1184 64.9603 173.5577 32 D 4.7482 7.9565 121.6664 51.8164 41.1905 175.0865 33 P 4.2846 0.0000 0.0000 65.1995 31.5499 177.3099 34 Q 4.2512 8.4097 117.1166 57.2420 28.8832 176.8110 35 V 4.3057 7.6389 108.1398 60.4381 34.1078 175.3277 36 A 4.7258 8.0029 122.1475 50.7274 20.5714 176.4179 37 D 4.5877 8.6762 120.6284 55.7703 42.3778 176.6699 38 I 4.1002 7.7177 119.5729 59.5086 39.1876 174.9082 39 V 4.6123 8.1409 127.8153 61.3760 32.8133 174.8167 40 L 4.8114 8.8377 129.0191 52.7938 43.8566 177.4453 41 S 4.3438 8.8061 117.4201 58.6963 63.5484 173.5762 42 D 4.4535 7.8760 122.6548 54.3275 41.3846 176.5243 43 M 3.9532 8.8707 126.9599 58.3535 32.0420 177.2417 44 S 4.5315 8.0100 110.4064 58.1188 63.6275 173.6267 45 I 4.4215 7.6317 123.1965 59.6385 38.1999 175.9797 46 S 4.3285 8.7976 121.4335 58.5643 63.8331 175.4300 47 R 3.9641 9.0972 121.5445 57.9717 29.9669 176.9799 48 Q 4.7572 7.8637 113.8192 54.7134 31.2236 172.9780 49 H 4.8010 9.3905 121.4970 57.1025 32.3558 173.5853 50 A 5.2696 7.8600 117.8025 50.2097 23.1433 174.4400 51 K 5.0616 9.1838 120.8702 54.6212 35.8191 174.9520 52 I 4.9339 9.0018 127.8600 59.6995 40.1831 174.4145 53 I 4.7695 8.6828 128.7028 59.6727 39.5771 174.9108 54 I 4.4096 8.9131 129.8668 59.4605 38.4554 176.5347 55 G 4.0834 8.7278 116.9476 45.1005 0.0000 173.2946 56 N 4.5667 8.7636 117.4109 54.9427 38.6979 176.3116 57 D 4.8429 7.5846 120.4739 53.5723 40.9721 182.6671 58 N 4.8794 8.7598 113.9299 53.4212 35.5308 175.8542 59 S 5.0392 7.4943 113.7669 57.5119 66.0681 173.2279 60 V 4.8239 8.1667 120.7270 61.1179 34.9222 173.9485 61 L 5.3142 8.7213 125.9467 52.9471 45.3414 175.2814 62 I 5.1096 9.0982 121.8009 59.4319 41.8782 173.7063 63 E 5.0794 8.6997 126.3913 54.7414 33.4478 173.2607 64 D 4.8561 8.7562 126.7849 52.8768 42.1291 176.9253 65 L 4.4558 8.5063 129.4175 53.7424 40.3864 176.5829 66 G 3.9422 8.0474 99.8869 46.2989 0.0000 173.9411 67 S 4.1658 7.9765 113.0847 57.4418 63.7484 174.2878 68 K 4.0187 8.7241 124.2257 59.4775 31.9180 177.6879 69 N 4.6127 8.2197 112.2017 52.5680 39.4723 175.4630 70 G 3.8852 8.2595 104.8845 44.7539 0.0000 172.5726 71 V 4.4024 8.0610 117.1680 61.1063 34.3171 174.0182 72 I 4.8010 8.4756 129.3549 59.5876 39.5881 174.7527 73 V 4.4522 8.6820 127.6913 61.4298 33.6065 175.6430 74 E 3.6239 9.6437 129.5760 57.5296 27.3177 176.0312 75 G 3.9658 8.1705 104.1826 45.2781 0.0000 172.8375 76 R 4.4927 8.1856 116.9589 53.6378 31.6924 174.7812 77 K 4.4991 8.6182 123.7098 55.5894 32.2844 176.3410 78 I 3.9238 8.4624 123.8903 61.4966 38.1392 176.8162 79 E 4.2710 8.7878 121.0915 58.8915 30.5664 175.1393 *80 H 5.1364 7.9490 115.0081 56.2863 37.1081 178.6523 81 Q 5.1273 7.8788 118.8537 54.4764 32.0408 173.2215 82 S 4.8217 9.2780 120.2108 56.5624 67.4086 173.2304 83 T 4.4255 8.5178 116.9025 63.7403 68.8885 173.7766 84 L 4.8612 8.5814 127.2262 53.4814 44.1083 175.9548 85 S 4.8038 10.0573 122.8550 56.1565 65.1520 173.4967 86 A 4.1305 8.5014 125.0015 54.4410 18.3752 177.7060 87 N 4.3552 9.4420 117.6537 53.6952 36.7260 174.0689 88 Q 4.6443 7.4723 117.1772 54.1542 29.9181 175.9351 89 V 3.7054 8.4761 125.2147 63.1292 32.7943 174.6761 90 V 4.4907 8.6616 128.2698 60.9843 33.6507 173.9059 91 A 5.0304 8.9645 130.1964 50.3072 21.2983 175.4151 92 L 4.5348 8.7709 123.2757 52.2922 44.4027 177.3949 93 G 3.7422 8.8921 116.2660 47.3171 0.0000 173.8160 94 T 4.3787 9.0332 115.2580 61.4601 69.2025 174.4359 95 T 4.6966 7.8963 120.3018 62.9182 70.4036 173.6641 96 L 5.3027 8.7385 125.0290 53.0806 45.1772 175.5595 97 F 5.6210 8.9545 117.3661 56.0573 42.0775 172.6481 98 L 4.9421 9.0946 118.5286 54.8280 44.3758 174.1397 99 L 5.2643 8.5848 119.2013 53.6095 43.7860 176.1925 100 V 4.7234 8.6082 116.2295 59.6224 34.8933 174.2170 101 D 4.8287 8.2370 121.8800 52.7159 43.9938 174.4916 102 Y 4.3615 8.9253 124.3623 56.3813 39.1695 176.0211 103 A 4.1587 8.3210 126.3885 52.1468 19.0913 176.8240 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 S 8.33 4.38 0.00 3.90 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 4 R 8.34 4.36 0.00 1.85 1.85 0.00 2.93 0.00 0.00 2.99 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 5 F 9.64 5.41 0.00 3.02 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 6 L 9.08 5.32 0.00 1.73 1.59 1.11 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 7 L 9.03 5.10 0.00 1.61 1.48 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 8 K 9.18 5.14 0.00 1.86 1.96 0.00 1.40 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.42 7.81 9 V 8.70 4.36 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 1.02 0.00 0.00 0.91 0.00 0.00 10 L 8.98 4.43 0.00 1.59 1.72 0.93 1.09 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 11 A 7.82 4.63 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 *13 A 8.26 4.46 1.01 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 14 N 8.84 5.04 0.00 2.62 2.74 0.00 0.00 6.66 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.89 3.90 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 1.35 1.09 0.91 0.00 0.00 16 G 9.25 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 0.00 0.00 0.00 0.00 17 A 7.48 4.03 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.69 5.15 0.00 1.98 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 2.26 2.50 0.00 19 F 9.06 5.08 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 20 H 8.63 4.68 0.00 3.03 2.93 0.00 5.78 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.31 3.97 0.00 1.45 1.28 0.74 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 22 D 9.44 4.50 0.00 2.74 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.48 4.29 0.00 4.07 3.98 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 24 G 8.80 3.98 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 0.00 0.00 0.00 25 K 7.75 4.70 0.00 1.79 1.35 0.00 1.53 0.00 0.00 1.51 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.38 7.81 26 T 8.11 5.20 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 1.21 0.00 0.00 27 Y 9.21 4.93 0.00 2.76 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 28 I 9.23 4.77 1.89 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 1.13 0.83 0.93 0.00 0.00 29 V 8.73 4.65 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 0.83 0.00 0.00 0.77 0.00 0.00 30 G 8.57 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 0.00 0.00 0.00 31 S 8.87 5.27 0.00 3.90 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.96 4.75 0.00 2.73 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 33 P 0.00 4.28 0.00 2.20 2.14 0.00 3.80 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 1.97 1.97 0.00 34 Q 8.41 4.25 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 35 V 7.64 4.31 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 0.72 0.00 0.00 1.05 0.00 0.00 36 A 8.00 4.73 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 37 D 8.68 4.59 0.00 2.74 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 38 I 7.72 4.10 1.76 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 1.01 0.75 0.72 0.00 0.00 39 V 8.14 4.61 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 0.86 0.00 0.00 0.88 0.00 0.00 40 L 8.84 4.81 0.00 1.56 1.52 0.89 0.38 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 41 S 8.81 4.34 0.00 3.97 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 42 D 7.88 4.45 0.00 2.78 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 M 8.87 3.95 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 44 S 8.01 4.53 0.00 3.98 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 45 I 7.63 4.42 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 1.36 0.62 0.95 0.00 0.00 46 S 8.80 4.33 0.00 3.84 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 47 R 9.10 3.96 0.00 1.87 2.00 0.00 3.34 0.00 0.00 3.35 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 48 Q 7.86 4.76 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 49 H 9.39 4.80 0.00 3.31 3.46 0.00 5.74 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 50 A 7.86 5.27 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 51 K 9.18 5.06 0.00 1.82 1.64 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.60 7.81 52 I 9.00 4.93 1.94 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 1.33 0.75 0.90 0.00 0.00 53 I 8.68 4.77 1.87 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 1.23 0.91 0.91 0.00 0.00 54 I 8.91 4.41 2.08 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 0.90 0.41 0.91 0.00 0.00 55 G 8.73 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 56 N 8.76 4.57 0.00 2.79 2.88 0.00 0.00 6.68 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 57 D 7.58 4.84 0.00 2.68 2.56 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 0.00 0.00 0.00 0.00 58 N 8.76 4.88 0.00 2.91 2.83 0.00 0.00 6.78 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 59 S 7.49 5.04 0.00 4.01 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 60 V 8.17 4.82 2.14 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 0.90 0.00 0.00 0.15 0.00 0.00 61 L 8.72 5.31 0.00 1.60 1.50 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 62 I 9.10 5.11 1.92 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 2.00 0.96 0.00 0.00 63 E 8.70 5.08 0.00 2.05 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 2.21 2.26 0.00 64 D 8.76 4.86 0.00 2.75 2.56 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 0.00 0.00 0.00 0.00 65 L 8.51 4.46 0.00 1.70 1.64 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.05 3.94 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 0.00 0.00 0.00 67 S 7.98 4.17 0.00 3.44 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 68 K 8.72 4.02 0.00 1.72 1.88 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.41 7.81 69 N 8.22 4.61 0.00 2.82 2.87 0.00 0.00 7.05 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 70 G 8.26 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 71 V 8.06 4.40 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 1.11 0.00 0.00 1.10 0.00 0.00 72 I 8.48 4.80 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.51 0.90 0.00 0.00 73 V 8.68 4.45 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 0.80 0.00 0.00 0.88 0.00 0.00 74 E 9.64 3.62 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 2.22 2.35 0.00 75 G 8.17 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 76 R 8.19 4.49 0.00 1.89 1.99 0.00 2.76 0.00 0.00 3.08 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.50 0.00 77 K 8.62 4.50 0.00 1.73 1.78 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.43 7.81 78 I 8.46 3.92 1.87 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 1.34 0.72 0.90 0.00 0.00 79 E 8.79 4.27 0.00 2.01 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 2.20 1.87 0.00 *80 H 7.95 5.14 0.00 2.55 3.01 0.00 7.13 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 7.88 5.13 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 82 S 9.28 4.82 0.00 3.84 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 83 T 8.52 4.43 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 1.21 0.00 0.00 84 L 8.58 4.86 0.00 1.59 1.48 0.92 0.88 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 85 S 10.06 4.80 0.00 3.96 3.77 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 86 A 8.50 4.13 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 87 N 9.44 4.36 0.00 2.87 2.98 0.00 0.00 6.93 8.31 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 88 Q 7.47 4.64 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 89 V 8.48 3.71 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.90 0.00 0.00 90 V 8.66 4.49 0.67 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 0.67 0.00 0.00 0.61 0.00 0.00 91 A 8.96 5.03 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 92 L 8.77 4.53 0.00 1.56 1.32 1.06 1.04 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 93 G 8.89 3.74 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 0.00 94 T 9.03 4.38 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 95 T 7.90 4.70 4.44 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 1.34 0.00 0.00 96 L 8.74 5.30 0.00 1.59 1.51 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 97 F 8.95 5.62 0.00 3.21 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 98 L 9.09 4.94 0.00 1.87 1.81 0.98 0.62 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 99 L 8.58 5.26 0.00 1.75 1.84 0.83 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.61 4.72 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 0.66 0.00 0.00 1.07 0.00 0.00 101 D 8.24 4.83 0.00 2.35 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 0.00 0.00 0.00 0.00 102 Y 8.93 4.36 0.00 2.91 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 0.00 103 A 8.32 4.16 1.16 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 * Residues marked with a * may have inaccurate shift predictions.