NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.8235 8.2033 118.3822 59.4527 29.9541 175.8271 2 D 4.1938 8.4004 122.1128 57.0296 40.8003 177.3382 3 A 4.1053 8.8015 121.3819 53.9058 19.4428 177.4207 4 F 4.6647 8.0185 113.4603 58.0454 40.0933 176.9278 5 V 3.8834 7.6132 121.0060 62.5280 31.7576 175.8765 6 G 3.9706 7.6973 113.1560 44.0558 0.0000 171.1761 7 T 5.0063 7.7446 116.1935 61.5165 70.9810 174.0592 8 W 5.3910 9.7375 126.0503 54.6196 33.1246 174.4683 9 K 5.0905 9.4079 122.6669 54.6612 35.0011 175.2119 10 L 3.5052 8.1419 125.7648 55.4088 41.8642 176.7148 11 V 4.4243 8.5960 119.2881 62.2220 34.2400 176.1072 12 S 4.6809 7.4936 112.5443 57.0417 66.3508 173.3071 13 S 4.9486 8.4128 114.9578 56.7009 65.8055 172.6181 14 E 4.4936 8.7340 126.3136 55.1595 32.9634 175.1412 15 N 4.2208 9.1674 122.0834 54.4240 36.6880 175.9338 16 F 4.7498 8.2631 123.9031 61.1023 39.3791 176.4511 17 D 4.1583 8.1768 117.2355 57.4051 41.0898 177.7921 18 D 4.3638 8.0948 119.0217 57.2974 40.8331 177.9331 19 Y 4.0446 8.1356 120.0364 61.1134 38.8005 178.0588 20 M 3.7168 8.0021 119.6611 57.9981 32.0453 178.8052 21 K 3.8500 8.2313 119.1063 59.6287 32.0695 178.9586 22 E 3.9161 7.8332 117.9763 59.1940 29.6052 178.7208 23 V 3.8295 7.3994 117.5404 64.1133 31.4921 176.7830 24 G 4.0103 7.4928 105.8616 45.1974 0.0000 173.4705 25 V 3.6956 7.6954 119.7166 61.8882 32.1445 177.0513 26 G 3.8271 8.4629 113.1572 44.1950 0.0000 174.0431 27 F 4.1159 8.9719 123.7967 61.3937 39.2824 177.5195 28 A 3.8294 8.1150 119.3508 55.6228 18.1657 179.5922 29 T 3.8188 7.8013 113.6272 66.7727 68.5669 177.0166 30 R 3.8272 8.1577 120.2504 59.1059 29.8200 179.2871 31 K 3.8343 7.6188 117.4057 59.2045 32.2596 179.3685 32 V 3.7371 7.7719 118.2804 66.0610 31.2423 177.8502 33 A 4.2343 8.3305 120.8647 55.3259 17.9715 179.7477 34 G 3.7932 8.1611 102.9202 47.5707 0.0000 175.3572 35 M 4.2440 7.8498 119.5940 56.2219 32.6101 176.7276 36 A 4.2295 7.0297 120.7502 51.7985 19.5593 177.5701 37 K 4.5140 8.1052 121.9968 53.6566 31.8224 173.7119 38 P 4.7541 0.0000 0.0000 62.9323 33.4489 175.9524 39 N 5.3621 8.8889 118.4384 52.0364 40.9517 173.5005 40 M 4.9284 9.3994 124.4520 54.1403 34.4959 174.5077 41 I 5.0509 9.2064 127.0801 59.7252 40.3238 174.4150 42 I 5.2093 8.9589 128.6008 59.5332 40.0085 175.0891 43 S 5.0245 9.0118 120.0527 56.8349 67.0019 172.9150 44 V 4.7427 8.2359 119.6422 61.2263 34.6214 174.5572 45 N 4.7054 9.0014 125.7107 52.4950 41.3893 174.1441 46 G 3.8042 8.2815 118.1534 47.1851 0.0000 172.7910 47 D 4.6528 8.6009 124.6654 52.7593 39.7459 174.9682 48 L 4.8407 7.7496 121.4713 53.5503 43.4474 175.4652 49 V 4.4385 8.0765 124.7437 61.3023 33.9413 174.4738 50 T 4.9294 8.7279 123.8398 61.7037 71.9364 172.8688 51 I 4.9557 8.9517 127.0942 59.5192 40.2612 174.4327 52 R 5.1143 9.3005 128.0172 54.4016 33.2216 174.0623 53 S 5.1736 9.1943 120.7617 56.5606 65.2939 172.2282 54 E 5.4047 9.3265 127.1283 54.7175 32.1211 175.2567 55 S 4.9438 9.1198 117.4291 56.9576 66.4047 175.0739 56 T 3.6278 8.6248 111.3759 64.3121 68.0934 174.6965 57 F 5.1294 7.0698 117.2503 56.9736 40.2770 175.5459 58 K 4.2873 7.8630 118.6725 55.5912 35.3595 173.6300 59 N 5.4007 8.8862 124.1985 51.8145 40.6541 174.2855 60 T 4.8408 8.9663 112.7778 60.1767 72.6446 172.4527 61 E 5.2906 8.5377 122.6684 55.1028 32.9394 174.0877 62 I 4.8074 8.9725 119.7496 59.2677 41.0394 174.1848 63 S 5.1357 8.6261 121.3883 56.6596 65.5712 173.1497 64 F 4.5413 8.1528 118.2242 55.6480 41.8655 172.5170 65 K 5.0049 8.3184 120.3157 53.4705 34.3606 175.3424 66 L 4.4912 8.5946 127.6188 56.9115 41.7498 177.3568 67 G 4.0052 9.2267 113.2790 44.8807 0.0000 173.0275 68 V 4.2876 7.3192 119.6395 60.6425 32.6641 174.8843 69 E 4.5527 8.7871 129.0535 56.5453 30.4002 175.4472 70 F 5.1387 8.9237 120.6652 55.4666 42.3085 172.7412 71 D 5.1459 8.8132 118.9789 53.5808 41.9657 175.9380 72 E 4.7598 9.0809 123.0480 54.5528 33.5863 174.0213 73 I 4.9107 8.3668 127.2468 59.6545 38.6832 175.8332 74 T 4.1156 8.7202 118.1923 60.6471 69.5870 175.5388 75 A 3.9480 8.5247 124.9131 55.0795 18.4114 178.0789 76 D 4.6768 7.9889 113.0528 53.0573 39.5877 175.7967 77 D 4.3981 7.9361 117.6333 55.9914 38.6825 173.8304 78 R 4.3778 7.9240 117.4555 55.0026 32.2934 176.4269 79 K 4.7448 8.5140 122.4873 55.3703 33.0012 175.9798 80 V 4.7219 8.7699 118.4607 59.3360 36.1559 174.8270 81 K 4.7619 8.8247 121.3556 55.0494 33.9145 176.0394 82 S 5.4747 8.4097 121.0822 55.8429 66.5706 173.3736 83 I 4.9270 7.8653 121.9822 59.7753 41.4649 174.0283 84 I 5.0878 8.5400 126.8902 59.6363 40.3504 174.5971 85 T 4.9246 8.7946 116.3740 59.7143 72.5924 172.7635 86 L 5.0230 8.4897 124.6115 53.7709 43.2932 175.3824 87 D 4.7384 8.9330 127.1905 53.4010 43.7121 176.4161 88 G 4.0610 9.8815 112.8473 46.6421 0.0000 174.2389 89 G 3.9545 8.7324 105.3746 44.8558 0.0000 173.6931 90 A 5.1416 7.9566 121.2108 49.8836 22.6097 175.8472 91 L 4.6176 8.5804 121.1559 53.7683 43.2633 176.0611 92 V 4.4251 8.8087 125.7589 61.2189 33.5024 173.9944 93 Q 5.0788 9.0192 130.2165 54.2635 31.6578 174.1698 94 V 4.8820 8.5601 125.6586 61.1874 34.7113 173.8975 95 Q 5.1468 9.0803 126.6119 54.0666 31.6104 174.6720 96 K 5.4872 8.9650 123.1007 54.4907 35.9537 175.2970 97 W 4.9763 9.2627 119.3367 56.3214 31.8172 174.3336 98 D 4.3132 9.8568 122.6617 55.4834 37.9289 174.7703 99 G 3.7621 8.1292 103.7852 45.5747 0.0000 173.5212 100 K 4.2946 7.3032 119.5422 54.4849 34.6135 174.8987 101 S 5.8452 7.5771 112.9108 58.1032 65.8345 173.3153 102 T 5.0005 8.7121 114.6150 61.0741 71.1770 172.1538 103 T 5.1333 8.5505 122.9177 61.8314 71.3576 173.8005 104 I 4.6291 9.0053 126.4058 59.6078 40.4995 174.4025 105 K 4.9732 9.2173 127.5166 54.6010 34.6903 175.6864 106 R 5.1180 8.8848 124.1137 54.2539 32.8180 175.0975 107 K 5.2628 9.2005 122.7291 55.4233 36.8346 175.2256 108 R 4.6852 8.4147 119.4550 55.0489 31.8280 176.3204 109 D 4.4693 8.8053 122.3660 53.1807 43.7588 176.1111 110 G 3.8644 8.2291 119.4495 47.0971 0.0000 172.8035 111 D 4.7773 8.9898 123.8829 52.7562 39.7071 175.6740 112 K 4.9489 8.1554 120.3250 55.1770 35.5057 174.7442 113 L 4.6753 8.7319 123.4100 53.2622 44.4109 175.0214 114 V 4.8190 8.9048 126.8218 61.1094 34.1330 174.2558 115 V 4.7330 8.9390 127.8992 61.2484 34.0757 174.1113 116 E 5.4418 8.9405 128.7711 53.3433 33.7009 174.0668 *118 V 4.4839 8.0214 118.9593 63.0778 33.2684 174.2519 119 M 4.6302 9.1737 126.9077 54.6367 34.5489 174.9385 120 K 4.0461 9.9375 128.6890 57.4974 29.7353 175.2425 121 G 4.1150 8.1989 106.3176 45.5174 0.0000 173.5161 122 V 3.8827 7.8475 120.7382 62.4025 31.9044 174.6620 123 T 4.8491 8.5263 117.2423 59.7285 70.9841 173.0101 124 S 5.0683 8.4628 119.3976 56.7435 65.8272 172.4447 125 T 5.0282 8.7549 122.2025 61.8475 71.9557 172.9793 126 R 4.9502 9.1239 125.6068 54.2792 33.6436 174.6389 127 V 4.8088 8.5453 124.0325 61.4520 33.8211 174.0416 128 Y 5.3618 9.3453 125.1314 56.1543 41.6974 174.4019 129 E 5.4136 9.1888 119.5461 54.2340 33.4996 175.3596 130 R 3.8702 8.5903 119.4967 56.2008 30.8878 176.6544 131 A 4.2120 8.3355 124.1233 52.2183 18.1415 177.3104 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 1 C 8.20 4.82 0.00 3.17 3.19 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 0.00 2 D 8.40 4.19 0.00 2.81 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 3 A 8.80 4.11 1.05 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 0.00 0.00 4 F 8.02 4.66 0.00 3.28 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 5 V 7.61 3.88 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 0.77 0.00 0.00 1.01 0.00 0.00 6 G 7.70 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 7 T 7.74 5.01 4.13 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 1.21 0.00 0.00 8 W 9.74 5.39 0.00 3.17 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 9 K 9.41 5.09 0.00 1.77 1.94 0.00 1.32 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.40 7.81 10 L 8.14 3.51 0.00 1.13 1.39 0.31 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.60 4.42 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 0.81 0.00 0.00 0.91 0.00 0.00 12 S 7.49 4.68 0.00 3.80 3.86 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 0.00 0.00 0.00 13 S 8.41 4.95 0.00 3.70 3.67 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 0.00 0.00 0.00 0.00 14 E 8.73 4.49 0.00 2.04 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 0.00 2.22 2.29 0.00 15 N 9.17 4.22 0.00 3.14 2.95 0.00 0.00 6.77 8.13 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 16 F 8.26 4.75 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 17 D 8.18 4.16 0.00 2.85 2.67 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 0.00 0.00 0.00 0.00 18 D 8.09 4.36 0.00 2.96 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 19 Y 8.14 4.04 0.00 3.14 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 20 M 8.00 3.72 0.00 1.87 1.91 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 1.81 2.24 0.00 21 K 8.23 3.85 0.00 1.97 1.85 0.00 1.81 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.62 7.81 22 E 7.83 3.92 0.00 2.07 1.90 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 2.47 2.33 0.00 23 V 7.40 3.83 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 0.70 0.00 0.00 0.30 0.00 0.00 24 G 7.49 4.01 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 0.00 0.00 0.00 25 V 7.70 3.70 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 0.71 0.00 0.00 0.85 0.00 0.00 26 G 8.46 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 0.00 0.00 0.00 27 F 8.97 4.12 0.00 3.10 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 28 A 8.11 3.83 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 29 T 7.80 3.82 4.33 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 1.20 0.00 0.00 30 R 8.16 3.83 0.00 1.84 2.03 0.00 3.03 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.83 0.00 31 K 7.62 3.83 0.00 1.61 1.68 0.00 1.40 0.00 0.00 1.40 0.00 0.00 2.61 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.62 0.87 7.81 32 V 7.77 3.74 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 1.13 0.00 0.00 0.93 0.00 0.00 33 A 8.33 4.23 1.53 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 0.00 0.00 34 G 8.16 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 35 M 7.85 4.24 0.00 2.06 2.32 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.57 0.00 36 A 7.03 4.23 1.38 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 0.00 0.00 37 K 8.11 4.51 0.00 1.65 1.67 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.25 1.30 7.81 38 P 0.00 4.75 0.00 2.35 2.30 0.00 3.42 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 2.13 2.17 0.00 39 N 8.89 5.36 0.00 2.76 2.83 0.00 0.00 6.85 7.10 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 40 M 9.40 4.93 0.00 1.81 1.51 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 41 I 9.21 5.05 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.56 0.94 0.00 0.00 42 I 8.96 5.21 2.30 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 1.32 0.87 0.98 0.00 0.00 43 S 9.01 5.02 0.00 3.82 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 44 V 8.24 4.74 2.07 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 0.78 0.00 0.00 0.92 0.00 0.00 45 N 9.00 4.71 0.00 2.65 2.56 0.00 0.00 6.85 7.52 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 46 G 8.28 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 0.00 0.00 0.00 47 D 8.60 4.65 0.00 2.88 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 48 L 7.75 4.84 0.00 1.70 1.47 0.78 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.08 4.44 0.78 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 0.89 0.00 0.00 0.72 0.00 0.00 50 T 8.73 4.93 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 1.23 0.00 0.00 51 I 8.95 4.96 2.02 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 1.17 1.14 0.91 0.00 0.00 52 R 9.30 5.11 0.00 1.82 1.87 0.00 3.24 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 53 S 9.19 5.17 0.00 3.91 3.70 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 54 E 9.33 5.40 0.00 1.93 1.81 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 2.23 2.24 0.00 55 S 9.12 4.94 0.00 3.87 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 56 T 8.62 3.63 3.51 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 1.01 0.00 0.00 57 F 7.07 5.13 0.00 2.95 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 58 K 7.86 4.29 0.00 1.77 1.71 0.00 1.81 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.40 7.81 59 N 8.89 5.40 0.00 2.65 2.73 0.00 0.00 6.93 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 60 T 8.97 4.84 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 1.25 0.00 0.00 61 E 8.54 5.29 0.00 1.97 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 2.21 2.32 0.00 62 I 8.97 4.81 2.10 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 1.46 1.31 1.10 0.00 0.00 63 S 8.63 5.14 0.00 3.64 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 64 F 8.15 4.54 0.00 2.55 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 0.00 0.00 0.00 65 K 8.32 5.00 0.00 1.83 1.72 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.28 7.81 66 L 8.59 4.49 0.00 1.74 1.69 0.96 1.29 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 67 G 9.23 4.01 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 0.00 0.00 0.00 68 V 7.32 4.29 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 0.87 0.00 0.00 0.98 0.00 0.00 69 E 8.79 4.55 0.00 2.03 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 2.26 2.36 0.00 70 F 8.92 5.14 0.00 3.09 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 71 D 8.81 5.15 0.00 2.66 2.66 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 0.00 0.00 0.00 0.00 72 E 9.08 4.76 0.00 1.99 1.56 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 2.17 2.34 0.00 73 I 8.37 4.91 1.88 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 1.42 1.03 0.90 0.00 0.00 74 T 8.72 4.12 4.20 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 1.01 0.00 0.00 75 A 8.52 3.95 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 76 D 7.99 4.68 0.00 2.74 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 77 D 7.94 4.40 0.00 2.82 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 78 R 7.92 4.38 0.00 1.35 1.30 0.00 2.21 0.00 0.00 2.72 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.48 0.00 79 K 8.51 4.74 0.00 1.65 1.77 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.45 7.81 80 V 8.77 4.72 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 0.34 0.00 0.00 0.84 0.00 0.00 81 K 8.82 4.76 0.00 1.63 1.77 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.53 7.81 82 S 8.41 5.47 0.00 2.72 3.15 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 0.00 0.00 0.00 0.00 83 I 7.87 4.93 1.84 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 1.32 0.74 0.93 0.00 0.00 84 I 8.54 5.09 1.47 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 1.15 0.51 0.77 0.00 0.00 85 T 8.79 4.92 4.26 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 0.00 0.00 0.00 1.23 0.00 0.00 86 L 8.49 5.02 0.00 1.68 1.66 1.08 1.18 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 87 D 8.93 4.74 0.00 2.67 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 0.00 0.00 0.00 0.00 88 G 9.88 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 89 G 8.73 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 0.00 0.00 0.00 90 A 7.96 5.14 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 91 L 8.58 4.62 0.00 1.22 1.40 0.18 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.81 4.43 2.06 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 0.91 0.00 0.00 0.92 0.00 0.00 93 Q 9.02 5.08 0.00 1.98 1.98 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 2.17 2.12 0.00 94 V 8.56 4.88 2.06 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 0.94 0.00 0.00 0.92 0.00 0.00 95 Q 9.08 5.15 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.53 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 96 K 8.97 5.49 0.00 1.69 1.68 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.36 7.81 97 W 9.26 4.98 0.00 3.47 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 98 D 9.86 4.31 0.00 2.52 2.62 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 99 G 8.13 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 0.00 100 K 7.30 4.29 0.00 0.79 0.74 0.00 1.28 0.00 0.00 1.46 0.00 0.00 2.58 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.99 0.87 7.81 101 S 7.58 5.85 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 0.00 102 T 8.71 5.00 4.58 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 1.41 0.00 0.00 103 T 8.55 5.13 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 1.27 0.00 0.00 104 I 9.01 4.63 1.83 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.86 0.84 0.00 0.00 105 K 9.22 4.97 0.00 1.61 1.68 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.37 7.81 106 R 8.88 5.12 0.00 1.41 1.62 0.00 2.87 0.00 0.00 3.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.39 0.00 107 K 9.20 5.26 0.00 1.80 1.90 0.00 1.31 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.41 7.81 108 R 8.41 4.69 0.00 1.52 1.74 0.00 2.85 0.00 0.00 2.90 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.07 0.00 109 D 8.81 4.47 0.00 2.58 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.23 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.99 4.78 0.00 2.85 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 0.00 112 K 8.16 4.95 0.00 1.83 1.95 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.55 7.81 113 L 8.73 4.68 0.00 0.27 0.69 -0.21 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.90 4.82 2.07 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 0.96 0.00 0.00 0.93 0.00 0.00 115 V 8.94 4.73 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 0.93 0.00 0.00 0.80 0.00 0.00 116 E 8.94 5.44 0.00 1.99 1.75 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 2.16 2.17 0.00 *118 V 8.02 4.48 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 0.95 0.00 0.00 0.96 0.00 0.00 119 M 9.17 4.63 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 120 K 9.94 4.05 0.00 1.89 1.80 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.73 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.40 7.81 121 G 8.20 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 0.00 122 V 7.85 3.88 2.31 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 1.17 0.00 0.00 1.02 0.00 0.00 123 T 8.53 4.85 4.26 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 0.00 0.00 0.00 1.30 0.00 0.00 124 S 8.46 5.07 0.00 4.17 3.61 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 0.00 125 T 8.75 5.03 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 1.20 0.00 0.00 126 R 9.12 4.95 0.00 1.65 1.61 0.00 2.21 0.00 0.00 2.72 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.35 0.00 127 V 8.55 4.81 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 0.92 0.00 0.00 0.92 0.00 0.00 128 Y 9.35 5.36 0.00 2.99 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 0.00 129 E 9.19 5.41 0.00 2.10 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 2.24 2.30 0.00 130 R 8.59 3.87 0.00 1.47 1.51 0.00 2.94 0.00 0.00 2.80 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.98 0.00 131 A 8.34 4.21 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 * Residues marked with a * may have inaccurate shift predictions.