NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *18 L 4.3493 8.1849 120.7783 53.9152 43.1582 176.4241 19 R 4.3782 7.8450 116.5164 55.6126 30.1709 174.5705 20 H 4.8307 7.9940 114.3204 56.0687 30.6568 173.3690 21 T 4.9143 9.2297 108.8191 59.9709 72.6971 172.4394 22 F 5.5018 8.8791 122.4416 56.9657 43.2766 173.5570 23 V 4.4984 7.6521 117.0770 59.6545 36.8010 174.1031 24 V 4.7011 8.6136 121.0812 61.1372 34.6497 173.9587 25 A 5.1550 9.3627 129.5011 50.1668 22.1318 175.0273 26 D 4.8781 9.0953 121.9262 53.1425 41.7159 176.8378 27 A 4.4884 8.8036 129.4246 53.3363 18.7573 177.9946 28 T 4.1760 8.2715 105.9364 62.5970 69.5934 174.8895 29 L 4.6839 7.5849 123.0560 52.1062 43.5469 175.1824 30 P 4.2117 0.0000 0.0000 65.8213 30.8981 176.6169 31 D 4.6774 8.0030 115.4863 53.6928 41.7683 175.8572 32 C 4.7621 7.8982 111.7995 58.5028 26.2181 171.6171 33 P 4.5920 0.0000 0.0000 62.6605 33.2145 177.2317 34 L 4.6951 8.6423 121.7847 55.0459 42.3817 177.8685 35 V 4.5514 8.7477 115.4375 61.4673 33.5994 175.1054 36 Y 4.9658 7.6446 120.1489 56.5532 42.1535 172.9040 37 A 4.4907 7.1591 126.2598 49.8239 22.2134 176.1850 38 S 4.1500 8.9805 117.2012 57.9341 64.3569 174.9568 39 E 4.2204 9.2540 121.2924 59.7675 29.2020 179.3451 40 G 3.6219 8.1123 104.9648 47.7087 0.0000 174.9703 41 F 3.9922 7.8939 123.3848 61.3220 39.3034 176.9092 42 Y 4.5341 8.0483 116.6096 60.6954 37.6004 178.2206 43 A 4.0196 7.8475 120.2937 55.2144 18.5279 179.1721 44 M 3.9255 8.2184 116.2923 59.0571 32.6826 178.4928 45 T 3.9355 7.6450 109.6100 62.9047 68.8253 176.1166 46 G 3.7826 8.1075 109.4381 45.1909 0.0000 172.8765 47 Y 4.5661 7.7890 117.7366 56.6927 39.4869 175.2673 48 G 3.8773 9.1288 112.5599 42.7736 0.0000 172.8541 49 P 4.2347 0.0000 0.0000 65.8942 30.9364 178.0721 50 D 4.5595 8.0358 116.6908 55.7261 40.7135 176.1942 51 E 4.6254 8.3311 115.2762 55.6355 31.0984 176.6573 52 V 4.0069 7.5602 112.4809 62.6194 33.8504 176.1654 53 L 4.3804 7.7497 119.6616 56.3200 41.6758 177.5833 54 G 3.9296 9.5489 112.3526 45.4174 0.0000 172.7319 55 H 5.0530 7.9292 116.5066 53.2864 32.1293 172.8941 56 N 4.6765 8.6103 120.9263 53.7067 39.6045 175.2311 57 C 3.8217 8.5600 123.2087 60.4739 31.5668 175.3082 58 R 3.9603 8.4188 117.9202 59.0580 28.7565 178.0729 59 F 4.3025 7.1402 114.3518 58.9489 38.0040 176.3672 60 L 4.3549 7.0827 118.8002 55.2511 41.5741 176.7398 61 Q 4.6370 7.4283 118.3800 55.6614 30.3912 175.6095 62 G 3.6287 8.8425 106.7956 45.2710 0.0000 173.2258 63 E 3.8138 8.8299 120.3703 59.5218 29.4706 179.4025 64 G 3.9034 8.5502 104.2000 46.0748 0.0000 173.6683 65 T 3.7655 7.6129 117.8284 62.9155 68.8854 174.1913 66 D 4.4174 8.7226 126.1234 53.6231 41.9997 174.8448 67 P 4.3557 0.0000 0.0000 65.2746 31.1067 177.9438 68 K 4.0363 8.9209 120.3935 59.1917 32.2337 178.4905 69 E 4.0334 8.2050 119.1041 59.0126 29.3407 179.2583 70 V 3.5444 7.6886 117.9355 66.0575 31.5948 177.6414 71 Q 3.9042 8.0508 119.3069 59.0342 28.9078 178.1729 72 K 3.8885 7.7759 120.4405 59.6141 32.2133 178.9091 73 I 3.7275 7.6482 119.6165 64.0710 37.0296 178.2099 74 R 3.8029 8.1432 119.8438 59.6954 29.8805 178.3828 75 D 4.3370 8.3950 118.5839 57.1795 40.8021 178.6347 76 A 4.0086 7.8611 120.8935 55.2113 18.4055 179.7547 77 I 3.4944 7.7551 118.3317 64.2654 36.8494 178.6890 78 K 3.9725 7.7687 118.3606 59.3834 32.0716 178.7376 79 K 4.3461 7.9877 115.1424 55.4353 32.8573 176.7609 80 G 4.1072 8.1862 107.3307 47.2496 0.0000 172.9779 81 E 4.9651 8.6910 116.1745 53.8019 33.5132 177.1441 82 A 4.6314 8.5599 122.6063 52.5914 19.6757 176.4841 83 C 4.7468 8.8275 118.6220 58.3050 35.7540 172.8008 84 S 5.1626 8.5407 118.4208 56.8433 64.8412 173.2014 85 V 4.6373 9.0380 119.2450 60.1745 36.7781 173.7551 86 R 5.1624 8.3712 120.9069 54.8536 31.5367 176.2007 87 L 4.8689 9.0560 123.5289 52.6733 46.1836 175.3288 88 L 3.3304 7.9360 124.3480 54.1254 42.8025 175.3363 89 N 4.9664 7.9176 122.6561 51.3743 42.9642 172.6382 90 Y 5.1245 8.7196 117.0964 56.3720 41.5334 176.5431 91 R 4.5354 9.3557 123.0068 55.2065 31.2265 177.5929 92 K 3.5149 8.5387 120.2409 58.7740 31.8921 177.0666 93 D 4.5350 7.9272 115.6479 53.2228 39.4500 177.1757 94 G 4.0721 8.3629 109.5012 45.7722 0.0000 174.4938 95 T 4.1647 8.4538 111.5552 60.9148 69.5043 172.0970 96 P 4.7379 0.0000 0.0000 62.5233 33.0229 174.9433 97 F 4.8498 7.9133 114.3845 55.7318 41.7673 172.8074 98 W 4.5755 9.0587 121.3684 55.8048 30.7023 174.7361 99 N 5.4575 9.1808 124.2365 51.7161 41.0460 172.9738 100 L 4.7996 9.1654 130.3145 54.2801 43.3329 174.8076 101 L 5.2043 9.1470 129.5532 53.5998 44.9521 175.1167 102 T 4.9820 8.6955 122.0254 61.9268 71.9446 172.8150 103 V 4.9121 9.1040 127.4686 61.5458 33.9633 174.5983 104 T 5.1625 9.3224 124.3029 61.0423 71.8154 171.5123 105 P 4.1407 0.0000 0.0000 62.3843 32.7383 175.7291 106 I 4.3431 8.4205 123.9430 59.7202 39.3412 175.0976 107 K 5.0031 8.5334 126.5691 55.0006 34.4551 176.5366 108 T 4.3822 8.6466 113.2066 59.5773 70.2316 174.1175 109 P 4.4221 0.0000 0.0000 65.7516 30.9912 176.9532 110 D 4.4376 7.9679 116.0444 53.9176 39.6287 176.9700 111 G 3.9696 8.4464 109.7164 45.4136 0.0000 174.4180 112 R 4.0756 8.9894 120.0051 55.6996 30.7608 175.8360 113 V 4.1547 8.0932 120.9390 62.5194 32.2726 175.3821 114 S 4.5094 8.9711 122.8395 59.9439 63.8552 173.7190 115 K 5.1272 7.6164 116.4584 54.7106 37.1391 175.0941 116 F 5.0749 9.1432 119.7605 55.7579 42.5063 174.5651 117 V 4.6419 9.1236 123.3595 61.0858 34.3799 174.5816 118 G 4.3655 8.3539 113.1120 44.4057 0.0000 171.2614 119 V 4.9878 8.7386 124.1037 61.1619 34.0702 174.0880 120 Q 5.2994 9.0818 127.2221 54.1948 31.4882 174.7779 121 V 4.6666 8.8030 123.4818 60.9461 34.6084 173.9344 122 D 5.1473 9.0380 128.1320 54.1309 41.0813 175.4099 123 V 4.4131 8.6461 120.2093 61.5931 32.3115 178.7397 124 T 4.0778 8.8265 121.2219 64.9777 68.6020 174.6305 125 S 4.1645 7.5208 121.4679 59.0142 63.4189 171.1233 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 *18 L 8.18 4.35 0.00 1.68 1.64 0.92 0.52 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 19 R 7.85 4.38 0.00 1.88 1.96 0.00 3.35 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 20 H 7.99 4.83 0.00 3.34 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 9.23 4.91 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 1.30 0.00 0.00 22 F 8.88 5.50 0.00 3.22 2.93 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 23 V 7.65 4.50 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 0.57 0.00 0.00 24 V 8.61 4.70 2.17 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 1.04 0.00 0.00 0.99 0.00 0.00 25 A 9.36 5.15 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 26 D 9.10 4.88 0.00 2.73 2.60 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 27 A 8.80 4.49 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 28 T 8.27 4.18 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 1.29 0.00 0.00 29 L 7.58 4.68 0.00 1.74 1.62 0.93 1.01 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 30 P 0.00 4.21 0.00 2.18 2.22 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 31 D 8.00 4.68 0.00 2.64 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 32 C 7.90 4.76 0.00 2.98 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 33 P 0.00 4.59 0.00 2.08 2.19 0.00 3.90 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 34 L 8.64 4.70 0.00 1.66 1.54 0.71 0.69 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 35 V 8.75 4.55 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 0.67 0.00 0.00 0.99 0.00 0.00 36 Y 7.64 4.97 0.00 3.09 2.78 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 37 A 7.16 4.49 0.33 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 38 S 8.98 4.15 0.00 3.95 4.24 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 39 E 9.25 4.22 0.00 2.16 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 2.45 2.49 0.00 40 G 8.11 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.89 3.99 0.00 2.95 2.84 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 42 Y 8.05 4.53 0.00 3.30 3.03 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 0.00 0.00 0.00 43 A 7.85 4.02 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 44 M 8.22 3.93 0.00 1.84 1.94 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 45 T 7.65 3.94 4.45 0.00 0.00 0.00 0.00 0.00 0.00 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 46 G 8.11 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 47 Y 7.79 4.57 0.00 3.34 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 48 G 9.13 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 49 P 0.00 4.23 0.00 2.15 2.09 0.00 3.28 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.70 0.00 50 D 8.04 4.56 0.00 2.66 2.76 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 51 E 8.33 4.63 0.00 1.90 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 2.59 2.41 0.00 52 V 7.56 4.01 2.50 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 1.13 0.00 0.00 1.32 0.00 0.00 53 L 7.75 4.38 0.00 1.70 1.66 1.01 1.19 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 54 G 9.55 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 0.00 0.00 0.00 55 H 7.93 5.05 0.00 3.39 3.25 0.00 5.63 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 N 8.61 4.68 0.00 2.99 2.73 0.00 0.00 6.73 7.65 0.00 0.00 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 C 8.56 3.82 0.00 2.87 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 58 R 8.42 3.96 0.00 2.01 2.22 0.00 2.84 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 59 F 7.14 4.30 0.00 3.20 3.16 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 60 L 7.08 4.35 0.00 1.50 1.66 1.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 7.43 4.64 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.52 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 62 G 8.84 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.83 3.81 0.00 1.84 1.95 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 2.32 2.32 0.00 64 G 8.55 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 65 T 7.61 3.77 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 1.14 0.00 0.00 66 D 8.72 4.42 0.00 2.79 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.36 0.00 2.30 2.29 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 68 K 8.92 4.04 0.00 1.80 1.95 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.48 7.81 69 E 8.21 4.03 0.00 2.21 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 2.36 2.65 0.00 70 V 7.69 3.54 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 1.07 0.00 0.00 0.95 0.00 0.00 71 Q 8.05 3.90 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.48 2.36 0.00 72 K 7.78 3.89 0.00 1.99 2.00 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.48 7.81 73 I 7.65 3.73 1.87 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 1.37 0.79 0.79 0.00 0.00 74 R 8.14 3.80 0.00 1.91 2.05 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 75 D 8.40 4.34 0.00 2.74 2.69 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 76 A 7.86 4.01 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 77 I 7.76 3.49 1.79 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.52 0.57 0.00 0.00 78 K 7.77 3.97 0.00 1.94 1.89 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.75 1.63 7.81 79 K 7.99 4.35 0.00 1.78 2.00 0.00 1.86 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.60 7.81 80 G 8.19 4.11 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 81 E 8.69 4.97 0.00 1.82 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 2.44 0.00 82 A 8.56 4.63 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 83 C 8.83 4.75 0.00 2.99 2.71 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 84 S 8.54 5.16 0.00 3.88 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 85 V 9.04 4.64 2.29 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 0.61 0.00 0.00 0.93 0.00 0.00 86 R 8.37 5.16 0.00 1.78 2.07 0.00 3.06 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 87 L 9.06 4.87 0.00 1.40 1.34 0.86 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.94 3.33 0.00 0.27 0.94 -0.34 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 89 N 7.92 4.97 0.00 1.44 2.09 0.00 0.00 6.37 7.49 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 90 Y 8.72 5.12 0.00 2.78 2.88 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 91 R 9.36 4.54 0.00 2.07 1.92 0.00 3.07 0.00 0.00 3.04 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.81 0.00 92 K 8.54 3.51 0.00 0.79 1.38 0.00 1.34 0.00 0.00 1.42 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.23 0.96 7.81 93 D 7.93 4.54 0.00 2.78 2.69 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 94 G 8.36 4.07 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 0.00 0.00 0.00 95 T 8.45 4.16 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 1.33 0.00 0.00 96 P 0.00 4.74 0.00 1.72 1.67 0.00 3.85 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 97 F 7.91 4.85 0.00 3.02 3.03 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 0.00 0.00 0.00 98 W 9.06 4.58 0.00 3.41 3.23 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 0.00 99 N 9.18 5.46 0.00 2.74 2.62 0.00 0.00 6.41 6.39 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 0.00 100 L 9.17 4.80 0.00 1.86 1.74 1.01 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 101 L 9.15 5.20 0.00 1.76 1.49 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.70 4.98 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 1.25 0.00 0.00 103 V 9.10 4.91 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 1.05 0.00 0.00 0.87 0.00 0.00 104 T 9.32 5.16 4.32 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 0.00 0.00 0.00 1.24 0.00 0.00 105 P 0.00 4.14 0.00 1.80 1.79 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.15 0.00 106 I 8.42 4.34 1.78 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.08 0.88 0.00 0.00 107 K 8.53 5.00 0.00 1.58 1.76 0.00 1.70 0.00 0.00 1.95 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.33 7.81 108 T 8.65 4.38 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 1.19 0.00 0.00 109 P 0.00 4.42 0.00 2.19 2.23 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 110 D 7.97 4.44 0.00 2.78 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 0.00 111 G 8.45 3.97 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 0.00 0.00 0.00 112 R 8.99 4.08 0.00 1.89 1.84 0.00 3.11 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 113 V 8.09 4.15 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 0.18 0.00 0.00 0.82 0.00 0.00 114 S 8.97 4.51 0.00 3.89 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 0.00 115 K 7.62 5.13 0.00 1.60 1.71 0.00 1.68 0.00 0.00 1.92 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.38 7.81 116 F 9.14 5.07 0.00 2.91 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 0.00 117 V 9.12 4.64 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 1.17 0.00 0.00 1.06 0.00 0.00 118 G 8.35 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 0.00 0.00 0.00 0.00 119 V 8.74 4.99 2.17 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 1.05 0.00 0.00 1.12 0.00 0.00 120 Q 9.08 5.30 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.53 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 121 V 8.80 4.67 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 1.09 0.00 0.00 1.01 0.00 0.00 122 D 9.04 5.15 0.00 2.74 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.65 4.41 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 0.85 0.00 0.00 1.10 0.00 0.00 124 T 8.83 4.08 4.38 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 1.35 0.00 0.00 125 S 7.52 4.16 0.00 4.13 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 * Residues marked with a * may have inaccurate shift predictions.