NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.2311 8.2993 120.0017 56.9501 33.8210 175.6286 12 F 4.5829 8.3868 114.8066 54.8143 36.2527 174.2073 13 R 3.8502 7.6195 128.2621 53.8042 30.8100 178.6917 14 V 3.1842 7.2023 123.5397 58.7146 31.8452 172.9211 15 R 3.4734 7.5965 116.1749 56.6164 27.6550 175.8258 16 N 4.2903 7.5239 118.6293 55.7017 39.3167 176.3018 17 R 4.0772 7.3117 113.4585 56.2747 31.1118 175.1951 18 I 3.6863 8.4059 119.6927 61.9048 35.5316 175.0258 19 K 4.2564 7.3352 117.0690 56.3814 31.6510 176.2393 20 R 4.4681 7.4243 115.8745 54.8385 30.0714 176.0238 21 T 4.5252 8.5305 118.9939 63.0273 71.2214 175.0458 22 G 4.0648 7.8343 110.0346 44.8256 0.0000 172.1510 23 R 3.9575 8.3009 119.0478 56.3183 29.8433 174.8229 24 L 3.5908 8.1199 123.4561 54.9337 38.3539 172.1448 25 R 4.3464 8.9429 123.6613 54.8670 31.8235 175.1588 26 L 4.8775 8.5610 129.8365 54.0449 41.3933 174.5512 27 S 4.3148 8.7060 119.3662 58.7320 64.1619 172.5073 28 V 3.9255 8.8400 122.8368 60.9558 31.7819 174.0875 29 F 4.0373 9.4182 130.3076 58.5895 38.8140 172.8687 30 R 4.4967 8.8063 128.8838 54.3087 30.3245 175.4077 31 S 4.5255 8.1423 120.0327 57.7002 62.9319 174.5302 32 L 4.2316 8.6040 124.4671 56.8175 41.7211 177.6848 33 K 4.4622 8.2390 115.5172 57.9712 34.6327 175.4514 34 H 5.0546 7.3961 116.8147 55.4873 31.8125 173.1657 35 I 4.2666 7.3177 116.0195 61.8943 41.0077 174.5528 36 Y 4.7486 8.6371 127.1576 56.6989 41.0231 175.3132 37 A 5.1288 8.2968 117.8505 52.7851 23.0786 175.8782 38 Q 4.8389 8.7006 121.7573 54.9679 32.0033 175.2435 39 I 4.5346 8.8998 123.2048 60.1717 39.0031 174.5413 40 I 4.7673 8.9423 129.2376 59.5080 39.7030 174.5986 41 D 4.9698 8.6887 127.2133 53.1983 42.2886 175.7842 42 D 4.9240 8.4528 127.2650 53.9765 43.1400 176.6320 43 E 4.1266 8.8977 118.5456 57.7367 28.4738 175.5777 44 K 4.4124 7.7608 114.6472 55.7825 34.2112 177.1501 45 G 3.8911 8.1177 105.5904 46.3941 0.0000 173.6089 46 V 4.5287 7.8448 119.7177 61.5020 35.5847 173.5462 47 T 4.9265 8.3090 119.4517 61.8200 71.1815 174.0376 48 L 4.6130 8.4605 124.0527 55.5256 44.1609 177.4546 49 V 4.6736 7.4579 117.3208 61.2841 34.9301 174.0551 50 S 5.3476 8.4395 120.6777 56.8904 66.5964 173.0582 51 A 4.5538 8.2251 118.4546 51.3808 22.9791 175.7706 52 S 4.8517 8.6180 116.4848 55.3594 66.8617 174.8808 53 S 4.7555 7.6670 120.8139 57.3040 60.2964 177.4353 54 L 4.6432 8.6633 116.8329 56.8115 41.0893 177.7319 55 A 4.6132 7.8229 119.5653 52.1825 18.2574 177.3602 56 L 4.6305 9.7250 123.1358 56.3947 45.6181 174.3029 57 K 4.4723 8.2693 118.5956 53.3630 31.5892 176.4545 58 L 3.7509 8.6852 120.4907 53.5412 42.5075 175.2221 59 K 4.2708 8.3700 118.8202 56.3471 31.4613 176.8659 60 G 3.9798 8.4870 107.3666 45.9203 0.0000 172.2297 61 N 4.7562 7.8014 117.9477 52.4845 41.3747 172.7148 62 K 4.4237 8.1805 113.6227 58.0452 34.1981 179.1646 63 T 4.1543 7.8871 107.2307 64.1872 68.9631 175.7577 64 E 4.1606 7.9415 121.2156 58.8437 30.0062 178.2974 65 V 3.6320 7.7341 117.4608 64.8366 31.3512 175.4699 66 A 4.0205 7.7906 121.9832 54.0891 18.5354 175.1578 67 R 4.2902 9.1518 126.1035 57.5752 27.7452 177.0407 68 Q 4.1690 8.2740 117.2215 58.7400 28.5926 179.7529 69 V 3.6711 7.9568 120.4699 64.7318 31.6109 178.3740 70 G 3.7577 8.0919 106.7110 47.5585 0.0000 174.9588 71 R 3.8677 8.3411 121.1778 59.0203 30.1709 178.4165 72 A 3.9675 7.8214 119.4168 55.5087 18.3650 178.8977 73 L 3.8276 8.3740 118.3023 58.7049 42.0008 178.8530 74 A 4.0212 8.5789 120.4608 55.5623 18.2067 179.2855 75 E 3.9658 8.3089 116.7478 59.5167 29.3788 179.4680 76 K 3.8705 7.9446 117.2755 60.0846 32.5069 178.3645 77 A 3.7386 8.9981 118.7154 54.9394 17.9264 179.3742 78 L 3.9182 8.2764 116.2643 57.1354 42.3362 179.4896 79 A 4.2009 7.6456 118.7337 53.7891 18.6337 177.1591 80 L 4.7248 8.7465 118.8973 55.1312 40.7036 178.3561 81 G 3.9604 8.3953 108.6430 46.5590 0.0000 174.0047 82 I 3.7777 7.0851 118.6699 61.6652 36.6331 174.1223 83 K 4.4115 8.3282 123.9160 57.8281 34.4535 175.6455 84 Q 4.4944 7.8250 117.7887 56.1671 29.9327 176.1840 85 V 4.5228 7.7881 112.5970 61.2091 36.3756 171.4146 86 A 4.8914 8.2405 121.9448 51.1530 22.3740 177.8055 87 F 4.9044 8.9589 125.6963 60.2289 41.6316 174.1913 88 D 4.4178 8.8057 121.5153 55.2906 40.9317 181.4941 89 R 3.2698 6.0398 117.9691 57.4325 30.1204 175.3714 90 G 3.1079 8.2520 109.9171 46.2120 0.0000 172.4571 91 P 4.2941 0.0000 0.0000 64.5996 32.5989 180.4792 92 Y 3.7522 8.7328 118.0333 59.8584 39.9598 175.9955 93 K 3.3843 8.9856 117.0303 57.5108 31.4178 176.3868 94 Y 3.7219 6.1212 112.9736 58.7243 36.0214 173.4597 95 H 4.4322 7.8317 129.9320 56.5472 31.7424 173.4465 96 G 2.9353 7.2495 98.3431 45.7376 0.0000 173.8943 97 R 3.7186 7.9603 116.6243 56.4764 30.0171 176.9069 98 V 3.8418 7.7307 118.1700 62.3949 34.6007 172.7141 99 K 4.2953 8.2530 128.8494 54.9875 30.7976 178.4608 100 A 4.2361 7.2939 121.9364 52.2996 16.6889 175.7375 101 L 4.6098 7.7169 120.2628 52.6036 45.5662 176.6743 102 A 4.2120 8.4205 127.2268 52.8517 19.0310 176.3788 103 E 3.6986 9.2864 119.1779 57.4258 26.9629 176.3721 104 G 3.7087 8.7915 109.2757 46.2235 0.0000 173.6631 105 A 4.2815 8.8796 124.1608 52.1110 18.8836 179.4242 106 R 4.3417 7.9600 115.9520 56.6126 30.2059 173.3260 107 E 3.6726 8.7376 123.5298 56.4851 30.7784 174.2508 108 G 3.8436 8.7807 111.4268 45.5921 0.0000 173.8517 *109 G 3.7078 7.7949 113.0808 45.7509 0.0000 172.8131 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 11 K 8.30 4.23 0.00 1.96 1.95 0.00 1.55 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.41 7.81 12 F 8.39 4.58 0.00 3.15 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 13 R 7.62 3.85 0.00 1.82 1.84 0.00 3.30 0.00 0.00 3.29 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 14 V 7.20 3.18 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 0.43 0.00 0.00 0.86 0.00 0.00 15 R 7.60 3.47 0.00 1.82 1.99 0.00 3.30 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 16 N 7.52 4.29 0.00 2.37 2.53 0.00 0.00 6.75 7.66 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 17 R 7.31 4.08 0.00 1.82 1.85 0.00 2.99 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 18 I 8.41 3.69 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.82 0.87 0.00 0.00 19 K 7.34 4.26 0.00 1.72 2.08 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.38 7.81 20 R 7.42 4.47 0.00 1.84 1.84 0.00 3.28 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 21 T 8.53 4.53 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 1.20 0.00 0.00 22 G 7.83 4.06 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 0.00 23 R 8.30 3.96 0.00 2.00 2.00 0.00 3.34 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 1.51 1.63 0.00 24 L 8.12 3.59 0.00 1.85 1.74 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.94 4.35 0.00 1.81 1.86 0.00 3.11 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 26 L 8.56 4.88 0.00 1.95 1.73 1.27 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.71 4.31 0.00 3.86 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 28 V 8.84 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 0.96 0.00 0.00 1.03 0.00 0.00 29 F 9.42 4.04 0.00 3.21 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 30 R 8.81 4.50 0.00 1.91 2.02 0.00 3.53 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 31 S 8.14 4.53 0.00 3.81 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 32 L 8.60 4.23 0.00 1.70 1.76 0.98 0.85 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 33 K 8.24 4.46 0.00 1.75 1.97 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.55 7.81 34 H 7.40 5.05 0.00 2.56 2.82 0.00 5.95 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.32 4.27 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.33 0.85 0.00 0.00 36 Y 8.64 4.75 0.00 2.81 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 37 A 8.30 5.13 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 38 Q 8.70 4.84 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 39 I 8.90 4.53 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.97 0.94 0.00 0.00 40 I 8.94 4.77 1.86 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 1.12 0.62 0.95 0.00 0.00 41 D 8.69 4.97 0.00 2.82 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 42 D 8.45 4.92 0.00 2.67 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 43 E 8.90 4.13 0.00 2.12 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 2.19 2.31 0.00 44 K 7.76 4.41 0.00 1.80 1.74 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.39 7.81 45 G 8.12 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 46 V 7.84 4.53 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 0.98 0.00 0.00 0.97 0.00 0.00 47 T 8.31 4.93 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 1.34 0.00 0.00 48 L 8.46 4.61 0.00 1.61 1.69 0.99 0.87 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 49 V 7.46 4.67 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 0.90 0.00 0.00 0.95 0.00 0.00 50 S 8.44 5.35 0.00 3.91 3.83 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 51 A 8.23 4.55 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 52 S 8.62 4.85 0.00 3.66 3.92 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 53 S 7.67 4.76 0.00 3.86 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 54 L 8.66 4.64 0.00 0.71 1.43 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.82 4.61 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 56 L 9.73 4.63 0.00 1.36 1.92 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.27 4.47 0.00 1.85 0.95 0.00 1.82 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.20 1.10 7.81 58 L 8.69 3.75 0.00 1.72 1.53 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.37 4.27 0.00 1.75 1.74 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.43 7.81 60 G 8.49 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 61 N 7.80 4.76 0.00 2.65 2.83 0.00 0.00 6.83 6.68 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 62 K 8.18 4.42 0.00 1.92 1.73 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.31 7.81 63 T 7.89 4.15 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 1.17 0.00 0.00 64 E 7.94 4.16 0.00 2.05 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 2.35 2.39 0.00 65 V 7.73 3.63 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 0.97 0.00 0.00 0.92 0.00 0.00 66 A 7.79 4.02 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 67 R 9.15 4.29 0.00 1.90 2.45 0.00 3.17 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.44 0.00 68 Q 8.27 4.17 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.63 0.00 69 V 7.96 3.67 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 70 G 8.09 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.34 3.87 0.00 1.96 2.02 0.00 3.32 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 72 A 7.82 3.97 1.41 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 73 L 8.37 3.83 0.00 1.89 1.83 1.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.58 4.02 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 75 E 8.31 3.97 0.00 2.25 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 0.00 2.33 2.48 0.00 76 K 7.94 3.87 0.00 1.91 1.91 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.49 7.81 77 A 9.00 3.74 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 78 L 8.28 3.92 0.00 1.67 1.77 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.65 4.20 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 80 L 8.75 4.72 0.00 1.79 1.81 1.01 0.66 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 81 G 8.40 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 0.00 0.00 0.00 82 I 7.09 3.78 1.89 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 1.20 0.87 0.94 0.00 0.00 83 K 8.33 4.41 0.00 1.74 1.70 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.42 7.81 84 Q 7.83 4.49 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.42 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 85 V 7.79 4.52 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 0.84 0.00 0.00 1.03 0.00 0.00 86 A 8.24 4.89 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 87 F 8.96 4.90 0.00 3.09 3.12 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 0.00 0.00 0.00 88 D 8.81 4.42 0.00 2.64 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 0.00 0.00 0.00 89 R 6.04 3.27 0.00 2.07 2.20 0.00 3.30 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 90 G 8.25 3.11 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 91 P 0.00 4.29 0.00 2.28 2.00 0.00 3.30 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.23 0.00 92 Y 8.73 3.75 0.00 3.34 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 93 K 8.99 3.38 0.00 2.02 1.92 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.41 7.81 94 Y 6.12 3.72 0.00 2.77 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 95 H 7.83 4.43 0.00 3.18 2.95 0.00 5.81 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 7.25 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 0.00 0.00 0.00 97 R 7.96 3.72 0.00 1.97 2.04 0.00 3.19 0.00 0.00 3.40 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 98 V 7.73 3.84 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 0.54 0.00 0.00 0.05 0.00 0.00 99 K 8.25 4.30 0.00 1.71 1.74 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.48 1.45 7.81 100 A 7.29 4.24 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 0.00 101 L 7.72 4.61 0.00 1.46 1.71 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.42 4.21 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 0.00 103 E 9.29 3.70 0.00 2.17 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 2.24 0.00 104 G 8.79 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 0.00 105 A 8.88 4.28 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 0.00 106 R 7.96 4.34 0.00 1.84 2.08 0.00 3.50 0.00 0.00 4.01 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.70 0.00 107 E 8.74 3.67 0.00 2.22 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 2.21 2.28 0.00 108 G 8.78 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 *109 G 7.79 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 * Residues marked with a * may have inaccurate shift predictions.