NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.3813 8.1693 122.5047 54.9209 43.4275 176.9696 6 S 4.5808 8.2715 110.5733 57.2974 64.3000 172.7676 7 G 4.1575 8.5080 112.5445 44.9864 0.0000 174.1622 8 T 4.0005 8.4608 116.9747 63.7510 69.1894 174.1062 9 W 5.0204 8.3873 125.1046 55.5502 31.7864 174.7593 10 Y 5.2402 8.9125 120.2803 56.4950 40.8196 175.2918 11 V 5.1514 8.7838 115.8680 59.8818 36.7871 174.0635 12 L 5.3977 8.3531 121.2693 53.4927 43.7278 176.1707 13 E 4.8674 8.7741 116.9046 56.2885 32.3209 176.6566 14 G 4.3114 8.7471 113.7388 44.0644 0.0000 172.8178 15 D 4.3080 9.2248 120.1771 54.7108 41.4496 174.7730 16 P 3.9735 0.0000 0.0000 65.8345 29.0713 175.6615 17 G 4.0176 8.9389 113.0411 44.7807 0.0000 171.9344 18 E 4.4807 8.1864 118.4528 54.9663 30.8826 175.4084 19 H 5.3812 8.5157 121.9520 54.0414 31.7665 172.7430 20 L 4.7448 8.4584 121.0337 53.8773 43.4507 175.6015 21 V 4.8495 8.3328 125.0742 61.1278 34.5049 174.6267 22 V 4.5323 8.9100 126.6588 59.9762 35.0145 174.6442 23 E 5.6370 9.0713 121.5890 54.2791 30.5976 174.9655 24 A 4.5761 7.9970 126.0509 51.1398 22.4283 175.3085 25 L 3.8213 9.2655 116.0232 55.8840 39.1206 175.3432 26 G 3.8845 8.9012 102.8471 46.1476 0.0000 173.4730 27 E 4.6181 7.8588 117.5745 55.5176 34.9880 174.2044 28 R 4.7910 8.4443 119.3947 55.2565 31.4844 175.9615 29 L 5.1686 8.9990 124.6416 52.9873 45.4129 175.5602 30 S 5.2722 7.9572 114.8119 55.3789 66.6275 172.4593 31 G 3.9440 8.5250 107.1474 44.1455 0.0000 172.1738 32 I 4.7835 7.5389 123.5034 59.0176 40.7670 174.4378 33 W 5.1986 9.4069 126.8488 55.1895 31.9013 176.8064 34 T 4.6541 10.0300 112.9364 62.4604 69.3384 175.4473 35 S 4.5017 7.6489 117.7987 55.9830 68.3380 174.6051 36 R 3.1310 7.2977 123.8871 59.0242 29.8918 178.5246 37 E 3.8098 7.7882 118.7358 59.2293 29.6692 178.6656 38 L 3.9785 7.7443 118.2302 57.7765 41.7151 179.2671 39 A 2.5800 7.5647 120.1823 54.6563 18.1905 179.6090 40 E 3.8156 8.4067 117.2366 59.1030 29.2031 179.4447 41 A 3.9093 7.7234 120.5336 54.9112 18.7059 179.1900 42 F 4.2307 7.7487 118.7680 61.4019 39.5129 177.1528 43 L 3.8645 8.2244 120.1821 58.0857 41.6170 178.7803 44 A 3.9716 8.0709 120.1340 55.0222 18.3132 178.6683 45 H 4.5325 7.7732 113.3766 56.6140 30.2378 175.5088 46 H 4.6211 7.3638 117.7197 53.2136 28.3959 171.4936 47 P 4.4603 0.0000 0.0000 62.6548 32.6351 175.4238 48 H 4.2179 8.5852 113.1775 57.3420 25.5827 175.7194 49 L 4.5434 8.0684 115.9866 53.4455 42.3601 176.3135 50 G 3.7209 7.8001 108.6774 45.9019 0.0000 172.3347 *52 R 4.1968 7.6944 124.2303 56.0008 32.0171 173.7512 53 V 4.6550 8.2726 123.4038 62.4383 32.6580 175.2600 54 S 4.9935 9.5769 122.9619 56.6671 66.8508 172.6003 55 A 4.7138 8.5959 124.0934 50.4533 20.7902 177.4996 56 L 4.4619 8.7276 125.1153 53.0044 40.8775 176.6997 57 E 4.3204 8.1465 116.3321 55.8221 30.6697 177.3622 58 S 4.6296 7.2211 113.9086 55.8984 67.5975 174.6028 59 R 3.7388 8.4846 121.4242 59.9043 29.7954 178.4594 60 A 3.9069 8.0113 119.5784 55.4667 18.2694 179.2216 61 L 3.9514 7.8236 114.4312 57.6440 41.9072 180.1795 62 K 3.7998 7.8653 118.1632 59.6525 31.8984 179.2957 63 E 4.0110 8.1019 118.4765 59.3175 29.0736 179.3072 64 A 4.0432 8.2289 120.6707 54.7065 18.2611 179.1727 65 Y 4.1705 7.9897 118.6052 60.9771 38.6697 177.7258 66 L 3.8757 8.1878 119.8278 57.6504 41.4748 179.5408 67 R 4.0116 8.2385 117.1964 58.3954 30.0902 178.3292 68 A 4.2010 7.3087 120.1067 54.7308 18.9824 179.2080 69 L 4.1384 8.0079 117.1682 56.5371 41.6026 179.1405 70 G 3.8486 7.3672 105.2501 45.1000 0.0000 174.9100 *72 L 4.2005 7.7805 118.7775 53.1948 43.3575 177.0811 73 Q 3.5260 7.9523 116.1440 56.7072 26.5539 173.3295 74 V 3.9178 7.7569 118.4404 62.4498 31.8786 175.4459 75 E 4.6026 8.1630 125.7880 56.4463 31.0609 175.2138 76 A 4.8608 7.3481 120.0614 50.8337 22.7203 175.3053 77 V 5.0105 8.6651 115.5831 59.4661 36.1966 176.8384 *79 V 3.7114 8.4513 127.9725 64.7249 32.3331 175.1329 80 D 4.0771 8.2287 128.7760 55.2576 38.6935 173.7274 81 Y 4.1512 6.9757 118.3465 57.2633 39.8688 175.0116 82 R 4.2222 6.7282 122.1950 55.0013 31.0326 172.2367 83 P 4.1406 0.0000 0.0000 62.5233 31.9411 176.1969 84 G 3.7055 7.7095 109.6513 45.6598 0.0000 173.3392 85 T 4.3165 8.5933 113.1040 62.4453 67.2113 173.6207 86 H 4.7903 7.5887 118.5053 54.0832 29.5879 175.4413 87 R 3.9750 8.6696 120.9303 56.0494 29.6014 176.2426 88 A 4.0390 8.4572 122.3850 52.6128 18.9396 177.0395 89 Q 4.5495 8.5247 121.0486 54.3443 30.1820 175.1966 90 V 4.6575 8.3699 123.6740 60.8057 34.5463 174.4483 91 A 4.7555 9.0078 128.2625 49.9785 22.5363 175.6389 92 R 4.4179 8.4574 121.0757 55.5521 31.2148 177.9550 93 V 3.6044 8.1938 122.3173 65.9225 30.9380 178.4498 94 K 3.9010 7.9332 118.8933 59.7176 32.0232 178.4590 95 D 4.4126 7.7863 117.0843 56.8198 40.9910 178.6092 96 L 4.3128 7.7031 119.2864 57.5752 41.8752 178.3445 97 L 3.9939 8.1233 119.1816 58.5889 42.0793 178.4603 98 E 4.2744 8.0148 117.3154 58.4929 29.5838 177.9161 99 E 4.1247 7.9834 117.2087 57.7642 29.7863 177.6085 100 V 4.1459 7.6636 115.4448 63.4332 32.5105 175.1459 101 R 4.1880 7.9840 122.0445 56.9312 30.1110 175.9665 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 5 L 8.17 4.38 0.00 1.59 1.78 0.54 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.27 4.58 0.00 4.13 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 7 G 8.51 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 8 T 8.46 4.00 4.17 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 0.59 0.00 0.00 9 W 8.39 5.02 0.00 3.09 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 10 Y 8.91 5.24 0.00 3.19 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 11 V 8.78 5.15 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 0.20 0.00 0.00 0.84 0.00 0.00 12 L 8.35 5.40 0.00 1.69 1.69 1.19 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.77 4.87 0.00 2.20 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 0.00 2.21 2.23 0.00 14 G 8.75 4.31 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 0.00 15 D 9.22 4.31 0.00 2.76 2.66 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 0.00 0.00 0.00 0.00 16 P 0.00 3.97 0.00 2.07 1.98 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 17 G 8.94 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 0.00 0.00 0.00 18 E 8.19 4.48 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 19 H 8.52 5.38 0.00 3.25 3.42 0.00 5.67 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.46 4.74 0.00 1.86 1.67 1.04 0.97 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 21 V 8.33 4.85 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 0.94 0.00 0.00 0.95 0.00 0.00 22 V 8.91 4.53 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 0.79 0.00 0.00 0.91 0.00 0.00 23 E 9.07 5.64 0.00 1.84 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 2.19 2.11 0.00 24 A 8.00 4.58 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 25 L 9.27 3.82 0.00 1.76 1.73 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.90 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 27 E 7.86 4.62 0.00 1.90 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 28 R 8.44 4.79 0.00 1.73 1.84 0.00 3.06 0.00 0.00 3.46 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.62 0.00 29 L 9.00 5.17 0.00 1.42 1.41 0.82 0.47 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 30 S 7.96 5.27 0.00 3.87 3.66 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 0.00 0.00 0.00 0.00 31 G 8.53 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 32 I 7.54 4.78 1.39 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.56 0.39 0.00 0.00 33 W 9.41 5.20 0.00 3.36 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 34 T 10.03 4.65 4.37 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 1.31 0.00 0.00 35 S 7.65 4.50 0.00 3.83 3.61 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 36 R 7.30 3.13 0.00 1.35 1.57 0.00 3.15 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 37 E 7.79 3.81 0.00 1.99 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 2.33 2.35 0.00 38 L 7.74 3.98 0.00 1.99 1.96 1.09 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.56 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.41 3.82 0.00 2.00 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 2.25 2.22 0.00 41 A 7.72 3.91 1.38 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 0.00 0.00 42 F 7.75 4.23 0.00 3.13 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 43 L 8.22 3.86 0.00 1.72 1.70 0.96 1.03 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 44 A 8.07 3.97 1.27 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 45 H 7.77 4.53 0.00 3.16 3.11 0.00 5.62 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 7.36 4.62 0.00 2.77 3.12 0.00 5.84 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.46 0.00 1.84 1.81 0.00 3.71 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.13 0.00 48 H 8.59 4.22 0.00 3.33 3.40 0.00 5.65 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.07 4.54 0.00 1.64 1.70 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.80 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *52 R 7.69 4.20 0.00 1.96 1.88 0.00 3.19 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 53 V 8.27 4.66 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.85 0.00 0.00 54 S 9.58 4.99 0.00 3.76 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 55 A 8.60 4.71 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.73 4.46 0.00 1.46 1.42 0.74 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.15 4.32 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 58 S 7.22 4.63 0.00 3.93 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 59 R 8.48 3.74 0.00 1.81 2.11 0.00 3.09 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 60 A 8.01 3.91 1.26 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 0.00 0.00 61 L 7.82 3.95 0.00 1.66 1.72 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.87 3.80 0.00 1.62 1.23 0.00 0.96 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.59 1.20 7.81 63 E 8.10 4.01 0.00 2.14 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 2.31 2.36 0.00 64 A 8.23 4.04 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 65 Y 7.99 4.17 0.00 3.25 3.35 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 66 L 8.19 3.88 0.00 1.81 1.74 1.17 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.24 4.01 0.00 1.80 1.99 0.00 3.16 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 68 A 7.31 4.20 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 69 L 8.01 4.14 0.00 1.60 1.55 0.65 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.37 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 *72 L 7.78 4.20 0.00 1.64 1.75 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 7.95 3.53 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 74 V 7.76 3.92 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.89 0.00 0.00 75 E 8.16 4.60 0.00 1.81 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 2.22 2.21 0.00 76 A 7.35 4.86 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.67 5.01 1.97 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 0.48 0.00 0.00 0.77 0.00 0.00 *79 V 8.45 3.71 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 0.61 0.00 0.00 0.70 0.00 0.00 80 D 8.23 4.08 0.00 2.74 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 81 Y 6.98 4.15 0.00 2.60 2.66 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 0.00 0.00 0.00 0.00 82 R 6.73 4.22 0.00 1.93 1.96 0.00 3.12 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.32 0.00 83 P 0.00 4.14 0.00 1.99 1.97 0.00 3.67 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 84 G 7.71 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.59 4.32 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 1.31 0.00 0.00 86 H 7.59 4.79 0.00 3.09 3.18 0.00 5.75 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.67 3.98 0.00 1.92 1.97 0.00 3.04 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 88 A 8.46 4.04 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 89 Q 8.52 4.55 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.64 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 90 V 8.37 4.66 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 0.77 0.00 0.00 0.87 0.00 0.00 91 A 9.01 4.76 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.46 4.42 0.00 2.07 1.84 0.00 3.28 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.53 0.00 93 V 8.19 3.60 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 0.91 0.00 0.00 0.94 0.00 0.00 94 K 7.93 3.90 0.00 1.85 1.78 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.53 7.81 95 D 7.79 4.41 0.00 2.83 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 96 L 7.70 4.31 0.00 1.97 1.98 0.73 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.12 3.99 0.00 1.74 1.92 0.95 1.04 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 98 E 8.01 4.27 0.00 2.08 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 2.31 2.32 0.00 99 E 7.98 4.12 0.00 2.31 2.22 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 2.42 2.37 0.00 100 V 7.66 4.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.98 0.00 0.00 101 R 7.98 4.19 0.00 1.95 1.81 0.00 3.40 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.70 0.00 * Residues marked with a * may have inaccurate shift predictions.