NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.4194 8.3231 117.0989 58.2043 63.9471 172.3230 10 G 3.9160 7.9012 110.4362 44.3072 0.0000 170.8419 11 R 4.6689 9.1111 119.2328 54.4848 34.0685 172.2542 12 E 4.7031 8.5072 122.1312 54.5859 33.4613 174.6283 13 N 4.8188 8.6534 118.7256 51.5412 40.3825 174.0313 14 L 4.7519 8.1897 123.1244 53.1575 44.1240 175.4610 15 Y 4.6320 8.6905 120.3676 56.3180 40.3886 174.6120 16 F 5.3087 9.0751 122.9451 55.8083 41.7180 175.5416 17 Q 4.4093 8.9214 123.7562 54.6523 30.9136 176.2749 18 G 3.8928 8.2347 118.0570 47.0200 0.0000 174.3523 19 Q 4.4683 8.9689 122.5223 56.7522 29.3979 175.9674 20 S 4.7030 7.9949 115.9235 58.6946 64.3355 173.2541 21 I 4.9422 8.7325 123.2284 59.6013 41.1297 173.7013 22 Y 5.1590 9.0341 127.1555 55.8782 41.9081 174.3253 23 I 4.6819 7.9005 125.9954 59.4780 41.6105 174.1406 24 E 4.5250 8.4605 126.4369 54.6619 30.0987 175.8781 25 L 4.0058 8.5486 128.8150 55.3297 41.9831 176.9039 26 K 4.3135 9.6700 126.1160 57.3923 33.3078 176.8322 27 N 5.0250 8.3135 116.3624 50.9800 41.5884 174.9407 28 T 3.9293 9.1231 120.7490 67.0497 67.1397 176.3051 29 G 3.7502 8.0162 105.6941 46.9165 0.0000 175.4261 30 S 4.3167 8.1262 117.4657 60.6981 62.7845 176.1296 31 L 3.8756 7.7072 123.6043 58.2614 41.5970 178.4852 32 N 4.2336 8.0924 114.4725 56.6509 38.6154 176.8845 33 Q 4.1376 7.5000 118.9628 58.8571 28.6530 178.7562 34 V 3.4942 7.9824 119.4684 66.1977 31.3032 178.0417 35 F 3.4408 7.9963 115.6169 59.5941 38.7985 177.2686 36 S 4.5032 7.6802 113.6476 59.8036 62.9864 173.9402 37 S 4.5083 7.4957 116.5272 56.9451 63.7679 173.0182 *39 Q 4.2764 8.3154 120.6003 55.2598 30.3128 174.2894 40 N 4.9879 7.9742 114.7384 51.6065 40.3533 175.0866 41 S 3.9952 8.6079 119.2076 60.4256 64.4604 173.6495 42 S 5.3885 7.9010 114.9436 55.7369 64.5341 172.7638 43 I 4.9690 8.5923 127.2855 59.3990 40.3061 174.3742 44 V 4.8156 8.5640 126.4991 61.1163 34.2757 174.0565 45 I 4.9545 9.0004 128.7877 59.3680 40.0280 174.3021 46 K 4.2173 8.3537 127.6364 54.3528 34.4808 174.5119 47 F 4.8075 9.1926 127.1242 56.3575 40.7859 175.4488 48 G 4.2535 8.7880 110.6618 45.6032 0.0000 170.9526 49 A 4.7566 7.8550 120.0511 50.1943 22.0646 177.5996 50 V 3.5269 8.3156 120.9120 65.5586 31.6100 177.3800 51 W 4.4345 7.2619 114.0742 57.5484 29.1062 177.0224 52 C 4.3146 6.9237 120.4741 55.5366 44.8550 173.4501 53 K 3.9178 8.6659 129.5051 59.2250 31.9140 176.9597 54 P 4.2949 0.0000 0.0000 65.8875 30.9289 178.6071 55 C 4.3767 8.0331 116.1616 60.0657 34.7732 175.5693 56 N 4.2863 8.0736 117.5895 56.0164 37.8904 177.6238 57 K 4.1678 8.1325 119.4500 58.1504 32.2705 178.1437 58 I 4.6546 7.3667 110.4540 60.1092 38.1355 177.2160 59 K 4.0402 7.8933 122.5681 60.5202 32.1877 178.6658 60 E 3.8963 8.1743 119.9271 58.8675 29.2843 177.6451 61 Y 4.0848 8.1144 119.1536 60.6648 38.9721 177.7415 62 F 4.0326 8.6974 121.6481 61.3761 39.7907 177.1196 63 K 3.3513 7.9879 119.0424 58.9737 31.8201 177.7069 64 N 4.4706 8.0733 115.1183 54.2208 38.5660 176.6883 65 Q 4.1808 7.5635 120.4182 57.8002 28.4994 177.6301 66 L 4.1986 7.0617 118.8470 57.6759 40.6616 178.2893 67 N 4.1796 7.6620 117.0577 55.1999 38.7482 174.9291 68 Y 4.6678 7.4855 115.4820 57.6933 40.9587 175.0419 69 Y 4.9543 7.8428 115.3149 55.9936 42.2864 175.3206 70 Y 4.6475 8.8671 120.8704 58.4202 38.0386 175.3996 71 V 4.7420 8.7036 122.6044 61.0682 35.6062 172.5346 72 T 4.8543 8.6831 119.5929 62.0571 70.6480 173.2516 73 L 5.1443 9.1836 127.8804 52.9376 44.1710 175.6624 74 V 4.4952 8.7439 123.9074 60.9863 34.3395 173.4474 75 D 5.0344 8.9147 128.3624 52.6974 43.1161 174.8333 76 I 4.5082 8.2268 127.4809 59.1777 40.2040 174.7112 77 D 4.7785 8.5886 127.8427 53.8813 41.2858 177.2365 78 V 3.9568 8.6668 121.1205 63.4958 31.7863 177.0284 79 D 4.6824 8.6078 119.1877 55.6362 41.2567 177.6833 80 I 3.9513 7.8817 119.0389 63.1126 38.3181 175.8536 81 H 5.0389 7.8892 116.2894 53.7085 28.8971 173.0486 82 P 4.4033 0.0000 0.0000 65.6872 31.5411 178.6920 83 K 3.9706 8.0491 118.0014 59.4153 32.0774 179.0180 84 L 4.0423 7.9313 118.6838 57.6938 41.6867 178.5531 85 N 4.1294 8.3906 117.1609 57.1389 38.7844 176.5973 86 D 4.3187 8.2002 119.7672 57.4429 40.7826 178.7580 87 Q 4.0417 8.2016 117.7448 58.9458 28.7776 177.7125 88 H 4.4344 8.1129 114.1808 54.4537 29.5415 174.7867 89 N 4.0953 7.8057 117.4586 54.1374 36.5972 174.9561 90 I 3.7703 7.3843 117.6074 61.2303 37.8604 176.8637 91 K 4.4642 8.3967 122.2905 56.2560 34.1400 175.6437 92 A 4.6643 7.4169 119.1920 50.9210 21.8536 175.0698 93 L 4.8897 8.1402 119.1317 52.1749 45.0789 175.1733 94 P 4.6555 0.0000 0.0000 62.9081 33.3658 174.9877 95 T 5.1222 8.2980 116.7584 61.8397 72.3132 172.9295 96 F 5.0766 9.6700 124.5086 55.7575 41.8200 174.2232 97 E 5.1641 9.4697 123.7135 54.6542 32.0921 174.8417 98 F 4.9667 9.1078 123.6044 56.1007 41.0448 174.4273 99 Y 5.4365 9.4931 122.0443 56.4180 41.1584 174.7401 100 F 5.1327 9.5974 123.7890 56.6606 43.5128 172.9919 101 N 4.5139 8.2977 125.2527 52.7538 39.3054 174.3153 102 L 4.7212 8.7278 126.9918 53.9748 44.8050 176.7900 103 N 4.1935 9.5493 121.6540 54.6884 35.8896 173.9993 104 N 4.2085 8.5254 109.2740 53.7875 36.4558 174.0203 105 E 4.7169 7.6216 114.3216 54.6677 33.6895 173.7608 106 W 5.1718 8.7945 120.7875 56.0983 30.4667 175.9794 107 V 4.6253 9.2704 124.6781 60.7879 34.2520 174.2240 108 L 3.9549 8.8611 129.8264 55.3581 41.5672 176.4097 109 V 4.1594 8.4104 120.5963 62.3840 32.8614 175.8613 110 H 4.4188 7.3232 117.3894 55.5824 32.8821 172.5677 111 T 5.1832 8.1016 119.0974 61.7910 72.3146 173.2928 112 V 4.5249 8.9530 125.2909 61.1747 34.3778 173.9497 113 E 5.0517 9.1830 126.5649 55.9615 31.8813 176.2457 114 G 3.9603 9.6352 109.1784 45.4740 0.0000 172.9045 115 A 4.7597 8.0619 118.0363 51.4983 19.5831 176.3733 116 N 4.4189 8.1010 118.2567 54.9326 39.6107 175.0339 117 Q 3.6338 8.5121 129.8908 59.0055 29.1985 177.4765 118 N 4.2867 8.0983 117.2284 56.4514 38.6009 176.9199 119 D 4.3791 8.5175 120.2047 57.4210 40.9289 178.8950 120 I 3.8099 7.7219 120.4021 64.2481 36.9379 178.1824 121 E 4.2885 8.2646 121.6606 58.6631 29.5977 178.7410 122 K 3.8879 8.1632 118.4269 59.5792 32.0336 179.0939 123 A 3.8552 8.0841 120.8400 55.0956 18.1934 179.6725 124 F 3.9274 8.5014 116.3260 60.8641 38.7358 177.9512 125 Q 4.2183 8.4167 116.9739 58.7479 28.5316 178.3959 126 K 3.8376 7.6986 119.7320 58.3084 32.3664 176.9286 127 Y 4.5644 7.8054 113.1969 57.5025 39.4593 174.2844 128 C 5.1199 8.2424 119.5821 57.4570 34.4295 172.0656 129 L 5.0314 8.6379 120.2147 52.7375 43.5098 176.0954 130 E 3.9512 9.0911 125.8096 55.5792 30.5829 176.6584 131 K 3.8238 8.3234 125.0170 56.5930 31.6293 176.8785 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 9 S 8.32 4.42 0.00 3.65 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 10 G 7.90 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 0.00 0.00 0.00 11 R 9.11 4.67 0.00 1.70 1.73 0.00 3.18 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 12 E 8.51 4.70 0.00 1.88 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 2.16 2.19 0.00 13 N 8.65 4.82 0.00 2.69 2.54 0.00 0.00 6.87 7.85 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 14 L 8.19 4.75 0.00 1.33 0.94 0.83 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 8.69 4.63 0.00 2.97 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 16 F 9.08 5.31 0.00 2.83 3.07 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 0.00 17 Q 8.92 4.41 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.82 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 18 G 8.23 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 19 Q 8.97 4.47 0.00 2.29 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.93 0.00 0.00 0.00 0.00 0.00 2.55 2.71 0.00 20 S 7.99 4.70 0.00 4.12 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 21 I 8.73 4.94 1.70 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 1.08 0.57 0.00 0.00 22 Y 9.03 5.16 0.00 2.90 2.75 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 23 I 7.90 4.68 1.63 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.30 0.77 0.00 0.00 24 E 8.46 4.53 0.00 1.83 1.87 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 2.25 2.21 0.00 25 L 8.55 4.01 0.00 1.41 1.37 0.84 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 26 K 9.67 4.31 0.00 2.13 1.84 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.38 7.81 27 N 8.31 5.03 0.00 2.85 2.68 0.00 0.00 6.95 6.88 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 28 T 9.12 3.93 4.28 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 1.22 0.00 0.00 29 G 8.02 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 0.00 0.00 0.00 30 S 8.13 4.32 0.00 3.97 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 31 L 7.71 3.88 0.00 1.67 1.64 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.09 4.23 0.00 2.86 2.87 0.00 0.00 6.92 7.69 0.00 0.00 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 Q 7.50 4.14 0.00 2.36 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 34 V 7.98 3.49 2.16 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 0.66 0.00 0.00 0.88 0.00 0.00 35 F 8.00 3.44 0.00 2.92 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 36 S 7.68 4.50 0.00 4.01 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 37 S 7.50 4.51 0.00 3.81 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 *39 Q 8.32 4.28 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.49 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 40 N 7.97 4.99 0.00 2.78 2.89 0.00 0.00 6.96 7.57 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 41 S 8.61 4.00 0.00 3.29 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 42 S 7.90 5.39 0.00 4.17 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 43 I 8.59 4.97 1.23 0.00 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.08 0.42 0.00 0.00 44 V 8.56 4.82 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 0.22 0.00 0.00 0.63 0.00 0.00 45 I 9.00 4.95 1.90 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 1.08 0.66 0.03 0.00 0.00 46 K 8.35 4.22 0.00 0.79 0.74 0.00 1.29 0.00 0.00 0.86 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.70 0.21 7.81 47 F 9.19 4.81 0.00 2.74 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 48 G 8.79 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 49 A 7.85 4.76 0.20 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 50 V 8.32 3.53 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 0.95 0.00 0.00 51 W 7.26 4.43 0.00 3.60 3.22 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 52 C 6.92 4.31 0.00 1.61 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 53 K 8.67 3.92 0.00 1.91 1.83 0.00 1.81 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.52 7.81 54 P 0.00 4.29 0.00 2.28 2.20 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 55 C 8.03 4.38 0.00 2.94 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 56 N 8.07 4.29 0.00 2.89 2.86 0.00 0.00 7.04 6.29 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 57 K 8.13 4.17 0.00 1.87 1.90 0.00 1.65 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.69 7.81 58 I 7.37 4.65 2.28 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.22 0.96 0.00 0.00 59 K 7.89 4.04 0.00 2.02 2.30 0.00 1.32 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.61 1.48 7.81 60 E 8.17 3.90 0.00 2.12 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 2.37 2.40 0.00 61 Y 8.11 4.08 0.00 3.13 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 62 F 8.70 4.03 0.00 3.53 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 63 K 7.99 3.35 0.00 0.79 1.45 0.00 0.61 0.00 0.00 1.11 0.00 0.00 2.20 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.91 0.49 7.81 64 N 8.07 4.47 0.00 2.72 2.84 0.00 0.00 6.92 7.70 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 65 Q 7.56 4.18 0.00 1.74 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.85 0.00 0.00 0.00 0.00 0.00 1.78 1.16 0.00 66 L 7.06 4.20 0.00 1.83 1.76 0.79 1.02 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 67 N 7.66 4.18 0.00 1.66 1.97 0.00 0.00 6.76 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 68 Y 7.49 4.67 0.00 2.80 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 69 Y 7.84 4.95 0.00 3.03 3.14 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 70 Y 8.87 4.65 0.00 2.99 2.95 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 71 V 8.70 4.74 2.36 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 0.74 0.00 0.00 1.11 0.00 0.00 72 T 8.68 4.85 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 1.00 0.00 0.00 73 L 9.18 5.14 0.00 1.57 1.14 0.72 0.06 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 74 V 8.74 4.50 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 0.80 0.00 0.00 0.74 0.00 0.00 75 D 8.91 5.03 0.00 2.68 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 0.00 0.00 0.00 0.00 76 I 8.23 4.51 1.11 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.18 0.81 0.00 0.00 77 D 8.59 4.78 0.00 2.65 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.67 3.96 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 0.97 0.00 0.00 1.04 0.00 0.00 79 D 8.61 4.68 0.00 2.88 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 80 I 7.88 3.95 1.88 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 1.38 0.58 0.62 0.00 0.00 81 H 7.89 5.04 0.00 3.19 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.40 0.00 2.28 2.34 0.00 3.80 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 83 K 8.05 3.97 0.00 1.85 1.92 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.55 7.81 84 L 7.93 4.04 0.00 1.94 1.88 0.80 0.58 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 85 N 8.39 4.13 0.00 2.90 3.06 0.00 0.00 7.27 8.00 0.00 0.00 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 D 8.20 4.32 0.00 2.87 2.68 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 0.00 0.00 0.00 0.00 87 Q 8.20 4.04 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.03 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 88 H 8.11 4.43 0.00 2.87 3.15 0.00 5.80 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 89 N 7.81 4.10 0.00 2.77 2.79 0.00 0.00 6.94 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 90 I 7.38 3.77 1.85 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.20 0.80 0.00 0.00 91 K 8.40 4.46 0.00 1.87 1.79 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.30 7.81 92 A 7.42 4.66 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 93 L 8.14 4.89 0.00 1.37 1.36 0.79 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.66 0.00 1.58 1.93 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.07 0.00 95 T 8.30 5.12 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 1.20 0.00 0.00 96 F 9.67 5.08 0.00 3.04 2.75 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 97 E 9.47 5.16 0.00 2.18 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 2.30 2.52 0.00 98 F 9.11 4.97 0.00 2.89 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 99 Y 9.49 5.44 0.00 3.17 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 0.00 100 F 9.60 5.13 0.00 3.32 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 0.00 101 N 8.30 4.51 0.00 1.44 2.01 0.00 0.00 6.98 7.29 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 0.00 102 L 8.73 4.72 0.00 1.73 1.57 1.03 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 103 N 9.55 4.19 0.00 2.86 2.89 0.00 0.00 7.18 8.00 0.00 0.00 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 N 8.53 4.21 0.00 2.84 2.88 0.00 0.00 6.94 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 0.00 105 E 7.62 4.72 0.00 2.07 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 2.39 2.36 0.00 106 W 8.79 5.17 0.00 3.44 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 0.00 107 V 9.27 4.63 2.28 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 1.11 0.00 0.00 1.05 0.00 0.00 108 L 8.86 3.95 0.00 1.45 1.52 0.31 0.87 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 0.00 109 V 8.41 4.16 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 1.10 0.00 0.00 110 H 7.32 4.42 0.00 1.59 2.38 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.10 5.18 4.18 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 1.26 0.00 0.00 112 V 8.95 4.52 2.43 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 0.92 0.00 0.00 1.12 0.00 0.00 113 E 9.18 5.05 0.00 1.91 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 114 G 9.64 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 0.00 115 A 8.06 4.76 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 0.00 116 N 8.10 4.42 0.00 2.78 2.74 0.00 0.00 6.73 6.78 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 0.00 117 Q 8.51 3.63 0.00 1.82 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.67 0.00 0.00 0.00 0.00 0.00 1.89 1.16 0.00 118 N 8.10 4.29 0.00 2.98 2.83 0.00 0.00 7.17 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 0.00 119 D 8.52 4.38 0.00 2.85 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 0.00 120 I 7.72 3.81 1.83 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 0.65 0.65 0.87 0.00 0.00 121 E 8.26 4.29 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 122 K 8.16 3.89 0.00 2.01 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.57 7.81 123 A 8.08 3.86 0.89 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 0.00 124 F 8.50 3.93 0.00 3.17 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 0.00 125 Q 8.42 4.22 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.98 0.00 0.00 0.00 0.00 0.00 2.71 2.62 0.00 126 K 7.70 3.84 0.00 1.50 1.01 0.00 1.45 0.00 0.00 1.32 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 0.84 7.81 127 Y 7.81 4.56 0.00 2.73 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 0.00 128 C 8.24 5.12 0.00 2.98 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 0.00 129 L 8.64 5.03 0.00 2.01 1.92 1.13 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 130 E 9.09 3.95 0.00 2.04 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 1.93 1.96 0.00 131 K 8.32 3.82 0.00 1.34 1.38 0.00 1.64 0.00 0.00 1.38 0.00 0.00 2.41 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.30 0.93 7.81 * Residues marked with a * may have inaccurate shift predictions.