NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.7057 8.2714 118.2111 52.4647 39.1658 174.7032 12 G 3.4107 8.5023 103.9017 47.0876 0.0000 170.6812 13 V 3.6128 8.0099 120.5208 65.8928 32.0676 175.5186 14 H 4.1412 8.7783 118.1616 59.7091 29.7373 176.5333 15 D 4.3516 7.8045 120.1058 57.5639 40.5479 178.9515 16 F 4.0999 8.2243 120.5375 61.3390 39.4235 177.3472 17 I 3.7524 8.0434 119.4225 64.3140 36.9698 178.2353 18 L 3.9367 7.8973 119.8386 57.8929 41.3801 179.5250 19 V 3.5039 7.5709 117.7065 66.4402 31.4071 178.3820 20 R 3.8137 7.5951 117.3060 58.8211 29.7967 179.1398 21 A 3.9558 8.4382 121.4487 55.4732 18.4840 179.7913 22 T 3.8800 8.0227 108.0831 64.8939 68.6164 176.2985 23 A 4.0102 8.3524 123.7736 54.9724 18.3558 179.7262 24 I 3.6553 7.5533 117.8303 64.4911 37.2794 178.4826 25 V 3.7221 7.7577 119.0523 66.4402 31.2611 178.0284 26 L 4.1394 8.4429 118.7501 58.1297 41.3358 179.7605 27 T 3.9274 8.2781 115.8461 66.6833 68.4135 176.6954 28 L 4.1405 8.2752 120.9592 57.8807 41.5908 178.9379 29 Y 2.9602 8.2107 119.4567 60.3902 38.6170 178.2267 30 I 3.5840 8.0359 120.7409 64.4554 37.1730 178.1269 31 I 3.7094 7.9445 120.8591 65.0032 36.8803 177.7588 32 Y 4.1339 7.9159 119.8713 60.7402 38.5819 177.9487 33 M 3.9614 7.9917 119.7864 58.4219 32.2658 178.7951 34 V 3.7725 8.1681 118.8607 65.8468 31.3729 177.8722 35 G 3.7776 8.0613 104.8669 47.9987 0.0000 174.9570 36 F 4.0718 7.6981 123.5610 60.7822 39.1509 177.0489 37 F 3.5975 7.9925 115.5940 60.2879 38.8325 176.8740 38 A 4.3431 7.9424 117.7821 52.6101 19.8858 177.1248 39 T 4.6255 7.3662 106.6706 60.0162 68.5031 174.2976 40 S 4.4162 7.2334 111.5987 57.2817 66.9514 176.0106 41 G 3.7857 7.6845 109.3218 46.0548 0.0000 176.5561 42 E 3.9107 8.9347 127.1993 56.5495 29.5409 177.7148 43 L 4.3736 8.1337 128.0696 53.6674 40.6711 177.2589 44 T 4.0851 7.4924 115.1792 61.7827 69.8616 172.9764 45 Y 4.2903 8.8942 127.4291 61.3429 38.6585 178.6211 46 E 3.9420 8.2271 120.0241 59.3209 29.8367 179.0794 47 V 3.8657 7.8376 111.7362 63.4349 31.8671 178.3253 48 W 4.3174 8.2454 128.5339 60.7054 30.7101 177.9497 49 I 3.6271 8.1490 119.1060 63.8173 37.0756 178.0674 50 G 3.5992 7.8169 106.0719 47.6213 0.0000 175.2116 51 F 4.0680 8.1490 123.0340 60.7883 39.1973 176.6401 52 F 3.8640 7.6753 113.6764 58.1237 39.0587 176.7985 53 A 4.2821 7.7354 119.9724 52.1267 19.3337 177.6171 54 S 3.9812 7.0023 112.7444 57.9188 63.2316 174.2516 55 A 3.9075 8.9442 130.0924 55.4837 18.0122 178.9402 56 F 3.6282 8.2915 118.3528 61.9598 39.2692 177.4922 57 T 3.7844 7.3742 114.2313 66.4484 68.1829 176.6854 58 K 3.7822 7.8271 120.3713 59.5776 32.0166 179.3423 59 V 3.3692 7.6873 118.1121 66.0676 31.5270 177.6823 60 F 4.1799 7.8726 120.2526 61.6364 38.9511 177.4737 61 T 3.5852 8.0444 115.2914 66.5359 68.3985 176.8248 62 L 3.8957 7.6967 120.7944 57.5345 41.6191 178.9994 63 L 3.9937 8.2330 120.5312 58.5692 41.9110 179.1178 64 A 3.9188 7.8181 120.1955 54.9662 18.1049 179.6725 65 L 3.9549 7.9792 117.8000 57.8374 41.7048 179.5400 66 F 4.1024 8.8082 118.1403 60.7987 38.9195 177.8012 67 S 4.2596 8.3046 114.6444 61.8856 62.5688 176.9745 68 I 3.9325 8.0956 122.4881 64.1038 36.8432 177.8029 69 L 3.9971 8.0378 121.2759 58.5948 41.8731 179.2072 70 I 3.8313 8.0517 119.0878 64.6840 37.2375 177.8110 71 H 4.0480 8.8281 119.0445 59.5737 29.7847 177.1940 72 A 4.1647 8.4771 122.5440 54.6789 18.0984 179.4829 73 W 4.4485 8.3136 126.9593 60.8118 30.7691 178.0641 74 I 3.3623 7.7009 119.8039 64.3125 36.6068 178.3082 75 G 3.7794 8.0403 106.2123 48.4567 0.0000 175.4587 76 M 4.1519 8.6085 121.7572 57.5326 31.9151 178.6577 77 W 3.8071 8.0421 128.6214 60.4257 30.5782 177.8316 78 Q 3.5795 8.0563 116.7223 58.9934 28.3881 178.9390 79 V 3.6776 7.6804 118.8923 66.1090 31.5560 178.1053 80 L 4.0606 8.0459 119.1467 57.6293 41.2560 178.6839 81 T 3.9054 7.1983 106.7388 62.5681 68.8868 175.3957 82 D 4.2408 7.1746 121.5429 55.1106 41.5341 176.6842 83 F 4.7536 7.4800 114.9870 58.9483 40.8227 176.3489 84 V 3.9094 7.5504 123.3979 62.2358 30.1456 175.7649 85 K 4.1240 8.5468 126.5969 58.4822 32.6120 176.7830 86 P 4.3815 0.0000 0.0000 62.2830 32.1765 177.0794 87 L 3.8886 8.7474 124.1242 58.4337 42.2040 178.6165 88 A 3.9674 8.1398 120.0579 55.7625 18.1855 179.1128 89 L 3.9308 7.8976 117.2615 58.1995 42.2308 179.2440 90 R 3.9391 7.8780 118.3927 59.4889 30.0678 178.5858 91 L 4.1753 8.2535 118.8525 57.7366 41.5574 179.4610 92 M 4.0732 8.1231 118.9366 58.4958 31.9074 178.7247 93 L 4.0706 8.0263 119.0502 57.9213 41.7706 179.6759 94 Q 4.2861 8.4085 118.0887 58.7409 28.5928 178.3683 95 L 3.8101 8.0219 121.4353 58.1657 42.1054 179.0660 96 V 3.5354 7.7944 117.8897 66.2278 31.4942 177.9538 97 I 3.6869 8.1023 119.7246 64.3268 36.9202 178.6373 98 V 3.1982 8.1191 119.2426 65.8138 31.3819 177.8067 99 V 3.4043 7.7535 118.0131 66.1415 31.1968 177.4342 100 A 3.7573 8.1047 120.4598 55.5177 17.6665 179.7374 101 L 3.5018 7.4035 116.8993 57.6161 41.5900 180.0214 102 V 3.5118 8.0354 118.8602 65.6576 31.3450 178.1855 103 V 3.5798 8.2225 118.3990 66.4041 31.5031 177.3157 104 Y 4.3163 8.3456 116.8158 61.5856 37.7266 179.2236 105 V 3.7014 7.6565 118.1409 65.7913 31.6767 178.3116 106 I 3.7875 7.8268 119.6784 64.5836 37.0308 177.7986 107 Y 4.3331 9.1695 121.4567 60.5012 38.6691 178.2867 108 G 3.6001 8.1445 106.4607 47.8806 0.0000 175.7180 109 F 3.9115 8.4636 120.3641 59.9779 38.6933 178.0582 110 V 3.5300 7.7513 117.9040 65.9639 31.2211 177.7816 111 V 3.3956 7.0451 116.5911 66.6314 31.3376 178.2107 112 V 3.8542 7.5756 112.4394 64.3074 31.5449 179.0733 *113 W 4.2493 7.7872 121.9968 60.4755 28.0942 181.1142 114 G 4.3500 7.5420 103.8718 44.8182 0.0000 173.9588 115 V 4.0135 7.5312 126.0271 62.7059 31.9591 174.7582 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 N 8.27 4.71 0.00 2.96 3.04 0.00 0.00 6.02 6.30 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 12 G 8.50 3.41 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 13 V 8.01 3.61 2.20 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 1.05 0.00 0.00 0.90 0.00 0.00 14 H 8.78 4.14 0.00 3.33 3.42 0.00 5.68 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 15 D 7.80 4.35 0.00 2.99 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 16 F 8.22 4.10 0.00 3.19 3.27 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 17 I 8.04 3.75 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.79 0.94 0.00 0.00 18 L 7.90 3.94 0.00 1.70 1.70 0.67 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.57 3.50 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 0.96 0.00 0.00 0.87 0.00 0.00 20 R 7.60 3.81 0.00 1.59 1.84 0.00 2.21 0.00 0.00 2.49 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.38 0.00 21 A 8.44 3.96 1.35 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 22 T 8.02 3.88 4.43 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 1.31 0.00 0.00 23 A 8.35 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.55 3.66 2.05 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 1.43 0.85 0.96 0.00 0.00 25 V 7.76 3.72 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 1.16 0.00 0.00 0.97 0.00 0.00 26 L 8.44 4.14 0.00 1.79 1.76 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.28 3.93 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 1.26 0.00 0.00 28 L 8.28 4.14 0.00 2.23 2.16 1.03 0.75 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 29 Y 8.21 2.96 0.00 2.68 3.04 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 0.00 0.00 0.00 0.00 30 I 8.04 3.58 1.92 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 1.56 0.66 0.92 0.00 0.00 31 I 7.94 3.71 2.20 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.69 1.01 0.00 0.00 32 Y 7.92 4.13 0.00 3.25 2.87 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 33 M 7.99 3.96 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.88 0.00 34 V 8.17 3.77 2.23 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 1.01 0.00 0.00 0.89 0.00 0.00 35 G 8.06 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 7.70 4.07 0.00 2.43 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 37 F 7.99 3.60 0.00 3.27 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 38 A 7.94 4.34 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 39 T 7.37 4.63 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 1.16 0.00 0.00 40 S 7.23 4.42 0.00 3.60 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 41 G 7.68 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 0.00 0.00 0.00 42 E 8.93 3.91 0.00 1.96 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 2.30 2.27 0.00 43 L 8.13 4.37 0.00 1.56 1.57 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.49 4.09 4.29 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 1.27 0.00 0.00 45 Y 8.89 4.29 0.00 3.13 3.05 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 0.00 0.00 0.00 0.00 46 E 8.23 3.94 0.00 2.17 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 2.35 2.43 0.00 47 V 7.84 3.87 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 0.81 0.00 0.00 1.13 0.00 0.00 48 W 8.25 4.32 0.00 3.46 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 49 I 8.15 3.63 1.35 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.06 0.78 0.00 0.00 50 G 7.82 3.60 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 0.00 0.00 0.00 51 F 8.15 4.07 0.00 2.75 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 52 F 7.68 3.86 0.00 2.79 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 53 A 7.74 4.28 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 54 S 7.00 3.98 0.00 3.86 3.69 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 0.00 0.00 0.00 0.00 55 A 8.94 3.91 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 56 F 8.29 3.63 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 57 T 7.37 3.78 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 0.14 0.00 0.00 58 K 7.83 3.78 0.00 1.84 1.74 0.00 1.59 0.00 0.00 1.49 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.47 7.81 59 V 7.69 3.37 1.77 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 0.84 0.00 0.00 0.83 0.00 0.00 60 F 7.87 4.18 0.00 2.85 2.87 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 61 T 8.04 3.59 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 62 L 7.70 3.90 0.00 1.63 1.67 0.15 0.10 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 63 L 8.23 3.99 0.00 1.78 1.98 0.86 1.00 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 64 A 7.82 3.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 3.95 0.00 1.82 1.69 0.92 1.11 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 66 F 8.81 4.10 0.00 3.24 3.13 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 0.00 0.00 0.00 67 S 8.30 4.26 0.00 4.10 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 68 I 8.10 3.93 2.11 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 1.47 0.81 1.08 0.00 0.00 69 L 8.04 4.00 0.00 1.77 1.95 0.87 0.81 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 70 I 8.05 3.83 1.98 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.90 0.98 0.00 0.00 71 H 8.83 4.05 0.00 3.29 3.44 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.48 4.16 1.55 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 0.00 0.00 73 W 8.31 4.45 0.00 3.44 3.36 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 0.00 0.00 0.00 0.00 74 I 7.70 3.36 1.79 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 0.53 0.86 0.00 0.00 75 G 8.04 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 M 8.61 4.15 0.00 2.15 2.41 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.94 0.00 77 W 8.04 3.81 0.00 2.13 2.87 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 78 Q 8.06 3.58 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.72 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 79 V 7.68 3.68 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 1.16 0.00 0.00 0.99 0.00 0.00 80 L 8.05 4.06 0.00 1.68 1.63 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 81 T 7.20 3.91 3.68 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 0.25 0.00 0.00 82 D 7.17 4.24 0.00 2.06 1.54 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 0.00 0.00 0.00 0.00 83 F 7.48 4.75 0.00 3.02 2.96 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 84 V 7.55 3.91 2.18 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 0.78 0.00 0.00 0.98 0.00 0.00 85 K 8.55 4.12 0.00 1.79 1.83 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.61 1.40 7.81 86 P 0.00 4.38 0.00 2.19 1.97 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 87 L 8.75 3.89 0.00 1.77 1.67 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.14 3.97 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 89 L 7.90 3.93 0.00 1.78 1.70 0.94 0.82 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 90 R 7.88 3.94 0.00 2.02 2.04 0.00 3.12 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 91 L 8.25 4.18 0.00 1.78 1.76 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 92 M 8.12 4.07 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.86 0.00 93 L 8.03 4.07 0.00 1.90 1.78 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.41 4.29 0.00 2.45 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.78 0.00 0.00 0.00 0.00 0.00 3.01 2.73 0.00 95 L 8.02 3.81 0.00 1.85 1.87 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.79 3.54 2.23 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 1.01 0.00 0.00 0.99 0.00 0.00 97 I 8.10 3.69 2.13 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.83 1.16 0.00 0.00 98 V 8.12 3.20 1.77 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 0.65 0.00 0.00 -0.32 0.00 0.00 99 V 7.75 3.40 2.20 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 0.71 0.00 0.00 0.90 0.00 0.00 100 A 8.10 3.76 1.13 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 0.00 0.00 0.00 0.00 0.00 101 L 7.40 3.50 0.00 1.74 1.66 1.13 0.95 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 0.00 102 V 8.04 3.51 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 0.91 0.00 0.00 0.84 0.00 0.00 103 V 8.22 3.58 2.23 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 1.04 0.00 0.00 0.94 0.00 0.00 104 Y 8.35 4.32 0.00 3.24 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 0.00 105 V 7.66 3.70 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 0.58 0.00 0.00 0.70 0.00 0.00 106 I 7.83 3.79 1.92 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 1.30 0.79 0.94 0.00 0.00 107 Y 9.17 4.33 0.00 3.10 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 0.00 108 G 8.14 3.60 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 0.00 0.00 0.00 109 F 8.46 3.91 0.00 3.30 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 0.00 110 V 7.75 3.53 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 0.94 0.00 0.00 0.99 0.00 0.00 111 V 7.05 3.40 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 0.78 0.00 0.00 0.44 0.00 0.00 112 V 7.58 3.85 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 0.76 0.00 0.00 0.77 0.00 0.00 *113 W 7.79 4.25 0.00 2.58 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 0.00 0.00 0.00 0.00 114 G 7.54 4.35 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 0.00 115 V 7.53 4.01 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 0.85 0.00 0.00 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.