NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8700 8.3549 109.7380 45.6150 0.0000 175.0312 3 I 4.0488 8.4216 128.0409 60.0091 37.5556 173.6271 4 K 4.3858 8.5521 122.4132 55.7441 35.9691 174.9480 5 H 4.9062 7.6063 119.3602 54.2722 33.2582 172.0888 6 L 4.5793 8.6764 126.5971 53.3210 45.3968 174.3511 7 N 5.2699 8.6730 125.2065 51.6350 39.8884 174.1106 8 L 4.6190 8.8031 128.7058 53.1461 43.2138 176.4938 9 T 4.1720 8.2698 122.0051 63.8970 68.9063 174.6056 10 V 4.9145 8.3446 117.5282 59.6181 36.1852 176.3565 11 A 3.9766 9.0047 125.2284 54.8962 18.6528 178.2889 12 D 4.4219 7.7222 114.6742 52.4717 42.9421 175.6499 13 V 3.6309 8.3783 127.6250 65.9023 31.7762 177.6417 14 V 3.6026 7.9486 117.2543 66.1358 31.4934 177.6990 15 A 4.1061 8.4883 120.1909 55.0970 18.2205 179.5228 16 A 4.1767 8.1939 119.4098 55.2095 18.5035 179.7304 17 R 3.9419 8.5934 117.9640 59.7244 30.2411 178.6160 18 E 4.0434 8.4408 117.3751 59.2707 29.5135 178.8096 19 F 4.3294 8.4064 121.4855 61.3567 39.6360 177.2157 20 L 4.2139 8.3342 118.6000 57.6908 41.3555 179.4106 21 E 4.1193 8.4160 118.7352 59.2423 29.2106 179.3655 22 K 3.7016 7.7235 118.1743 59.4734 32.3608 177.8824 23 Y 3.8687 7.2151 114.5537 58.3634 37.1257 176.2958 24 F 4.5498 7.4687 115.3606 56.0247 40.5372 176.0444 25 G 4.1011 7.7603 106.9370 46.2974 0.0000 174.1911 26 L 4.5229 7.3502 118.5287 54.7903 42.4256 176.6808 27 T 4.6956 8.4193 117.4989 61.9531 71.3961 173.3073 28 C 4.7776 8.7019 125.8748 58.5793 32.2812 173.1377 29 S 4.6718 9.0898 120.8610 57.5134 63.6287 174.2444 30 G 4.4123 7.2849 110.0821 46.8311 0.0000 172.0322 31 T 5.2432 8.4216 110.1449 60.2111 72.4943 173.9877 32 R 4.4186 8.9864 122.2781 54.2127 30.7644 177.1275 33 G 3.7445 8.5322 116.8180 46.9897 0.0000 171.8277 34 N 4.7865 8.9007 122.4347 52.5473 37.5404 175.7719 35 A 4.3952 7.9374 122.9865 54.2296 19.6432 177.9954 36 F 5.2935 7.8354 116.4313 57.3404 43.1811 172.9294 37 A 4.9550 8.3086 126.7959 50.4854 22.7130 175.6733 38 V 4.0789 8.5970 122.5371 61.3030 34.6365 174.6898 *40 R 4.7389 8.2152 121.1249 56.3563 32.0949 175.7196 41 D 5.1031 8.2339 121.4805 52.0131 41.9271 176.6073 42 N 4.5170 8.7262 115.0500 55.9930 38.6749 175.7101 43 D 4.7276 8.4105 116.2098 53.8410 41.1066 176.8832 44 G 3.9043 7.8636 105.6031 45.6957 0.0000 173.7968 45 F 4.2753 8.6336 122.9791 57.8815 40.8209 174.1485 46 I 4.5658 8.1720 127.2017 59.6453 39.1666 174.4420 47 L 5.2281 8.7018 130.5195 53.4718 43.0488 175.2825 48 T 4.3648 8.7446 117.4216 60.9411 70.8098 174.3050 49 L 5.1495 8.5485 124.0803 52.0887 45.1441 175.2774 *51 K 4.7552 7.8418 119.5446 57.0809 33.1352 173.3355 52 G 3.2503 8.7637 109.6180 45.0975 0.0000 174.8790 53 K 3.9449 7.9680 120.8567 56.4934 32.9031 175.2453 54 E 4.5440 8.7558 126.1073 56.7475 31.8398 176.0035 55 V 4.5031 7.1486 108.8573 59.4005 35.7348 174.7171 56 Q 4.2406 8.3116 121.1924 55.5168 29.4655 176.0197 57 Y 4.0006 8.3138 118.4854 56.9823 38.8986 174.3837 58 P 4.4144 0.0000 0.0000 62.7278 32.0150 177.9068 59 K 4.0910 8.7300 120.9919 59.8972 32.6185 177.8874 60 T 4.2146 7.8067 107.0247 61.6759 69.4391 174.5624 61 F 4.2744 8.0616 126.3348 58.7378 39.8767 173.5800 62 H 4.7140 7.2984 121.2666 54.5042 31.4370 172.5922 63 V 4.0692 8.5045 120.1054 61.0843 33.6351 174.4082 64 G 4.2187 8.3673 114.8514 44.6453 0.0000 173.1870 65 F 4.6903 8.9979 124.8657 54.4510 39.7977 173.4437 66 P 4.5339 0.0000 0.0000 62.6605 30.8447 175.7612 67 Q 4.8160 8.4276 118.7464 54.0396 32.1183 176.6569 68 E 4.1790 8.7335 118.9391 58.8336 30.0162 177.5686 69 S 4.6555 7.3720 112.0714 56.1833 67.2544 175.2898 70 E 4.2175 8.6945 122.0732 59.4338 29.0810 179.0524 71 E 3.9563 8.2508 119.0316 59.6233 29.7929 178.8582 72 Q 4.0036 8.1943 117.9532 58.7380 28.6608 178.8680 73 V 3.7475 7.7807 119.0587 66.3124 31.5775 177.7661 74 D 4.3370 8.5521 118.8343 57.2094 40.6716 178.7535 75 K 3.8996 8.3532 120.2368 59.6549 32.1425 178.9725 76 I 3.6933 7.6942 119.7151 64.1803 36.9951 177.6751 77 N 3.5092 8.1563 118.0641 56.5738 38.5046 176.3925 78 Q 3.8768 8.1521 120.9122 59.4774 29.1268 178.7635 79 R 3.9722 8.0405 118.8584 59.0408 30.0573 178.9117 80 L 3.8650 8.0954 119.1510 57.6987 41.7319 179.4534 81 K 4.0783 8.0961 119.3543 59.7902 31.9231 178.6735 82 E 4.0616 8.3075 117.7484 59.1499 29.4286 178.1178 83 D 4.8223 8.1229 116.3476 54.2796 41.1568 177.1830 84 G 3.8517 7.8394 107.6851 45.0546 0.0000 173.9926 85 F 4.3079 7.9145 118.0651 56.4023 39.8673 175.9021 86 L 4.4379 8.4124 124.1492 53.8325 41.0296 176.5766 87 V 4.6149 8.0426 116.1441 59.2567 35.4546 174.7981 88 E 4.7202 8.3186 118.8085 53.2703 32.3195 173.9393 89 P 4.1955 0.0000 0.0000 62.1243 31.8366 174.9846 90 P 4.5601 0.0000 0.0000 62.6286 32.2127 175.7319 91 K 4.7320 8.6184 120.9109 54.9251 35.7894 175.4043 92 H 4.5643 9.0636 120.7464 55.8212 28.5640 173.9715 93 A 4.1480 9.3133 127.9801 53.1347 20.5320 176.6497 *95 A 4.0840 7.4337 114.6943 51.1791 20.3018 175.4268 96 Y 5.0152 8.7502 121.5644 57.2503 38.9062 175.1281 97 T 4.8561 8.3296 123.8294 61.8132 73.2175 173.1585 98 F 5.1744 8.4471 119.1618 55.6099 42.1569 172.5657 99 Y 5.1759 8.6809 115.6912 56.1939 41.2126 175.8205 100 V 4.6499 8.5804 120.6336 60.1424 35.4844 174.0536 101 E 4.4808 8.8089 122.7810 55.6968 30.1339 176.2874 102 A 3.0984 8.3373 127.8068 50.1361 19.7250 175.0677 103 P 4.2567 0.0000 0.0000 64.5046 32.1173 175.3463 104 G 4.2521 9.0232 109.5212 45.2419 0.0000 174.5957 105 G 4.4893 8.4540 108.0333 45.4680 0.0000 173.0842 106 F 5.1424 7.7286 112.1151 54.9765 42.1789 173.6760 107 T 4.7210 8.6110 116.6208 62.9727 70.3342 173.5994 108 I 4.9681 8.6740 126.5456 59.5097 40.2214 174.0296 109 E 4.5307 9.1012 127.7204 54.4356 31.7036 174.6600 110 V 4.4859 7.5210 126.0511 60.9183 35.0933 175.0654 *112 C 4.3206 8.5490 125.6186 59.7355 31.6339 173.1646 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 G 8.35 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 3 I 8.42 4.05 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.77 1.06 0.00 0.00 4 K 8.55 4.39 0.00 1.48 1.54 0.00 1.66 0.00 0.00 1.85 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.32 7.81 5 H 7.61 4.91 0.00 2.82 2.98 0.00 5.87 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 6 L 8.68 4.58 0.00 1.98 1.59 1.05 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.67 5.27 0.00 2.80 2.74 0.00 0.00 7.27 7.78 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 8 L 8.80 4.62 0.00 1.39 1.33 -0.17 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.27 4.17 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 10 V 8.34 4.91 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 0.99 0.00 0.00 1.03 0.00 0.00 11 A 9.00 3.98 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 12 D 7.72 4.42 0.00 2.73 2.59 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 0.00 0.00 0.00 0.00 13 V 8.38 3.63 2.33 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 1.00 0.00 0.00 1.02 0.00 0.00 14 V 7.95 3.60 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 1.04 0.00 0.00 0.98 0.00 0.00 15 A 8.49 4.11 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.19 4.18 1.61 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 0.00 0.00 17 R 8.59 3.94 0.00 1.94 2.23 0.00 3.13 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 18 E 8.44 4.04 0.00 2.32 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 2.63 2.49 0.00 19 F 8.41 4.33 0.00 3.36 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 20 L 8.33 4.21 0.00 2.04 1.87 1.19 1.00 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 21 E 8.42 4.12 0.00 2.16 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 0.00 2.55 2.49 0.00 22 K 7.72 3.70 0.00 1.55 1.32 0.00 1.57 0.00 0.00 1.35 0.00 0.00 2.76 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.30 0.93 7.81 23 Y 7.22 3.87 0.00 1.75 1.73 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 24 F 7.47 4.55 0.00 3.01 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 25 G 7.76 4.10 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 0.00 0.00 0.00 26 L 7.35 4.52 0.00 1.79 1.73 1.18 1.01 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 27 T 8.42 4.70 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 28 C 8.70 4.78 0.00 3.12 2.85 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 29 S 9.09 4.67 0.00 3.89 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 30 G 7.28 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 31 T 8.42 5.24 4.51 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 1.23 0.00 0.00 32 R 8.99 4.42 0.00 1.84 1.92 0.00 3.45 0.00 0.00 3.25 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.66 0.00 33 G 8.53 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 34 N 8.90 4.79 0.00 2.86 2.95 0.00 0.00 5.80 7.26 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 35 A 7.94 4.40 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 36 F 7.84 5.29 0.00 3.09 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 37 A 8.31 4.96 1.14 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 0.00 0.00 38 V 8.60 4.08 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 1.01 0.00 0.00 0.81 0.00 0.00 *40 R 8.22 4.74 0.00 1.87 1.92 0.00 3.18 0.00 0.00 3.40 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 41 D 8.23 5.10 0.00 2.96 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 42 N 8.73 4.52 0.00 2.76 2.94 0.00 0.00 6.70 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 8.41 4.73 0.00 2.69 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 44 G 7.86 3.90 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 0.00 0.00 0.00 45 F 8.63 4.28 0.00 3.18 3.09 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 0.00 0.00 0.00 46 I 8.17 4.57 1.73 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 0.98 0.75 0.87 0.00 0.00 47 L 8.70 5.23 0.00 1.87 1.71 1.06 0.98 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 48 T 8.74 4.36 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 1.24 0.00 0.00 49 L 8.55 5.15 0.00 1.49 1.63 0.99 0.74 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 *51 K 7.84 4.76 0.00 1.81 1.81 0.00 1.62 0.00 0.00 0.61 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.46 7.81 52 G 8.76 3.25 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 0.00 53 K 7.97 3.94 0.00 1.73 1.76 0.00 1.67 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 54 E 8.76 4.54 0.00 1.87 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 2.13 2.31 0.00 55 V 7.15 4.50 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 0.72 0.00 0.00 0.74 0.00 0.00 56 Q 8.31 4.24 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 57 Y 8.31 4.00 0.00 3.11 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 58 P 0.00 4.41 0.00 2.31 2.05 0.00 3.64 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 2.16 2.10 0.00 59 K 8.73 4.09 0.00 1.88 1.98 0.00 1.57 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.44 7.81 60 T 7.81 4.21 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 1.21 0.00 0.00 61 F 8.06 4.27 0.00 3.09 3.30 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 62 H 7.30 4.71 0.00 3.17 3.13 0.00 5.54 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.50 4.07 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 0.53 0.00 0.00 0.77 0.00 0.00 64 G 8.37 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 0.00 0.00 0.00 65 F 9.00 4.69 0.00 2.58 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 66 P 0.00 4.53 0.00 2.06 2.01 0.00 3.57 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 67 Q 8.43 4.82 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 68 E 8.73 4.18 0.00 1.98 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 2.33 2.31 0.00 69 S 7.37 4.66 0.00 4.09 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 70 E 8.69 4.22 0.00 1.93 1.71 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 2.43 2.33 0.00 71 E 8.25 3.96 0.00 2.04 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 0.00 2.40 2.43 0.00 72 Q 8.19 4.00 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 73 V 7.78 3.75 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.13 0.00 0.00 74 D 8.55 4.34 0.00 2.98 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 75 K 8.35 3.90 0.00 1.92 2.00 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.48 7.81 76 I 7.69 3.69 2.03 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 1.26 0.65 0.78 0.00 0.00 77 N 8.16 3.51 0.00 1.68 2.59 0.00 0.00 6.87 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 78 Q 8.15 3.88 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 79 R 8.04 3.97 0.00 1.98 2.11 0.00 3.18 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 80 L 8.10 3.86 0.00 1.78 1.70 0.99 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.10 4.08 0.00 1.85 1.93 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.47 7.81 82 E 8.31 4.06 0.00 2.14 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 2.35 2.52 0.00 83 D 8.12 4.82 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.84 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 85 F 7.91 4.31 0.00 3.19 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 86 L 8.41 4.44 0.00 1.64 1.67 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 87 V 8.04 4.61 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 0.88 0.00 0.00 0.85 0.00 0.00 88 E 8.32 4.72 0.00 2.03 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 2.22 2.31 0.00 89 P 0.00 4.20 0.00 2.05 2.01 0.00 3.67 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 90 P 0.00 4.56 0.00 0.49 1.41 0.00 3.51 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.74 0.00 91 K 8.62 4.73 0.00 1.68 1.71 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.38 1.40 7.81 92 H 9.06 4.56 0.00 3.14 3.34 0.00 5.68 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 9.31 4.15 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 *95 A 7.43 4.08 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 96 Y 8.75 5.02 0.00 2.90 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 97 T 8.33 4.86 4.09 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 0.00 0.00 0.67 0.00 0.00 98 F 8.45 5.17 0.00 3.02 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 99 Y 8.68 5.18 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 0.00 100 V 8.58 4.65 2.32 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 1.02 0.00 0.00 1.01 0.00 0.00 101 E 8.81 4.48 0.00 1.83 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 2.30 2.32 0.00 102 A 8.34 3.10 0.35 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 0.00 103 P 0.00 4.26 0.00 2.15 2.04 0.00 2.20 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.16 0.00 104 G 9.02 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 0.00 0.00 0.00 0.00 105 G 8.45 4.49 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 0.00 106 F 7.73 5.14 0.00 3.04 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 0.00 107 T 8.61 4.72 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 108 I 8.67 4.97 1.66 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.48 0.28 0.00 0.00 109 E 9.10 4.53 0.00 1.91 1.70 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 1.86 1.60 0.00 110 V 7.52 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 0.98 0.00 0.00 0.63 0.00 0.00 *112 C 8.55 4.32 0.00 3.10 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 * Residues marked with a * may have inaccurate shift predictions.