NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2841 8.3193 115.2903 56.3863 63.2989 172.2112 3 M 3.2474 9.3236 116.7021 54.5919 32.5323 175.3836 4 K 4.5957 9.0570 123.3289 54.5086 35.5216 177.2736 5 T 4.0407 8.3007 119.5313 62.8781 68.8525 174.4449 6 L 4.0379 8.4480 129.0724 54.4321 42.6303 174.9851 7 P 4.4834 0.0000 0.0000 62.3139 32.0754 175.6033 8 K 4.4419 8.3053 119.7479 55.1059 33.0512 176.2725 9 E 4.5994 8.3091 123.8353 54.2934 32.6778 174.5452 10 R 3.8445 8.5431 126.3541 56.3578 30.7270 175.3399 11 R 4.5313 7.7627 122.0031 54.5310 33.4928 175.1864 12 F 4.8437 8.2412 116.1495 57.1463 40.9772 176.6890 13 E 3.5747 8.4431 120.9660 57.0837 27.5901 174.8417 14 T 3.9360 8.3438 121.3739 66.3624 68.9222 174.3549 15 F 4.5134 9.0267 124.0266 57.7087 36.6379 176.0081 16 S 4.5991 8.2977 114.2450 59.5177 63.1525 174.2721 17 Y 4.3545 8.1151 117.6093 58.0391 38.4264 175.4071 18 L 4.6052 7.6324 120.2868 52.3453 43.2619 174.5786 19 P 4.2402 0.0000 0.0000 62.3423 31.7373 174.7520 20 P 4.2280 0.0000 0.0000 63.0860 31.7236 176.1277 21 L 4.3374 8.4015 123.1841 54.2549 42.3246 177.8855 22 S 4.3777 8.9603 119.0232 58.2255 65.0880 175.3211 23 D 4.4112 8.5676 121.9703 57.0700 40.6120 179.0135 24 R 4.0838 7.8980 118.5005 58.8416 30.1944 178.6000 25 Q 3.9564 7.8275 117.7072 58.6746 28.6651 178.6245 26 I 3.6823 8.1301 121.1353 64.4075 37.1239 178.3450 27 A 4.0909 8.1115 121.3807 55.0635 18.2060 179.5562 28 A 3.9756 7.9925 119.3192 55.4083 18.4072 179.9377 29 Q 4.0507 7.9553 116.3949 59.1946 28.7961 178.9488 30 I 4.0191 8.1377 120.9346 64.2229 37.0538 178.3281 31 E 4.0299 8.7005 120.1534 59.4232 29.2294 178.6041 32 Y 4.1044 8.0974 119.4168 61.1725 38.8729 177.5969 33 M 4.0155 8.2688 119.3626 58.9543 32.1582 178.6767 34 I 3.6401 7.9191 119.1258 64.6552 37.2008 178.2241 35 E 3.8497 7.9863 118.6422 59.1241 29.5304 178.1134 36 Q 3.6678 7.4298 117.9782 56.6356 29.0180 176.6481 37 G 3.7943 7.3567 107.3252 45.3129 0.0000 173.4958 38 F 4.9218 7.0545 117.7823 57.5682 40.0732 174.6605 39 H 4.9533 9.0797 119.3251 54.0547 30.3755 173.1756 40 P 4.9875 0.0000 0.0000 62.5014 32.9252 175.1192 41 L 4.9276 9.2415 124.9786 53.4854 45.9166 174.7322 42 I 5.0448 8.5519 126.0879 59.7644 39.7053 174.4020 43 E 5.5601 9.1895 125.6855 54.6410 34.0090 174.7150 44 F 5.7322 8.9437 115.9599 55.7005 41.9569 172.9943 45 N 4.9357 8.6498 117.8398 51.9998 41.8990 175.1682 46 E 4.0411 8.7518 122.3080 58.3187 30.3273 176.1185 47 H 5.1124 7.6242 114.9379 54.3013 33.1048 173.0900 48 S 4.5622 8.2524 114.6763 56.4939 61.1099 172.0221 49 N 4.8047 7.7747 119.8649 50.5728 39.7235 174.8432 50 P 4.4844 0.0000 0.0000 65.5161 31.6566 177.4691 51 E 3.8509 7.5747 118.6323 58.1826 29.7130 176.2788 *64 E 4.1111 7.7660 116.7836 56.2149 30.6942 175.8136 65 F 4.5052 8.3567 121.6272 59.4463 39.4740 175.6372 66 Y 4.9074 8.3225 117.7978 56.0063 39.6009 175.3713 67 W 4.7895 8.8643 124.0462 55.4703 32.0439 175.3675 68 T 4.2215 8.0586 117.8054 62.8083 69.3643 174.4032 69 M 4.4833 8.4156 126.1991 55.0923 33.2106 175.1529 70 W 4.7557 9.3849 135.0000 56.5108 31.4735 176.9008 71 K 3.3826 8.4927 128.2436 57.4483 30.9625 178.0210 72 L 4.8555 8.2395 124.5984 52.6250 45.3001 173.9416 73 P 4.2278 0.0000 0.0000 62.8973 31.7162 177.6883 74 L 4.3246 8.2406 122.9915 53.5030 40.0112 177.6503 75 F 4.3219 8.2178 120.6378 59.4418 39.7399 175.9058 76 A 4.8665 7.7254 122.2461 51.3742 19.1421 176.1138 77 C 4.2603 8.0767 121.8377 60.0254 32.2011 172.6578 78 A 4.5054 8.7360 129.0883 52.0062 20.5657 176.0134 79 A 4.7756 7.6774 119.0176 49.6687 21.1460 175.3961 80 P 4.2923 0.0000 0.0000 65.9139 31.3495 178.7059 81 Q 3.9533 8.0617 117.8035 59.0736 28.9159 177.6709 82 Q 4.0067 7.8825 120.8334 59.2832 29.0025 178.7941 83 V 3.6195 7.7480 118.5056 66.1496 31.7490 177.8672 84 L 4.0314 8.2399 118.9248 57.8882 41.3683 179.3208 85 D 4.3884 8.6923 119.3985 57.3802 40.6969 178.6539 86 E 4.1400 8.1430 119.1028 59.2910 29.4876 179.4336 87 V 3.4382 7.9725 118.4685 65.8897 31.6292 178.3975 88 R 3.8066 8.0809 117.7891 59.2150 29.8131 178.7289 89 E 3.9184 8.1623 118.3797 59.6664 29.4584 179.0646 90 C 2.4500 7.5984 118.8192 61.8741 31.1463 175.8606 91 R 3.7228 7.3939 119.0366 59.0689 29.6681 178.9203 92 S 4.1272 7.6070 112.9790 60.9836 63.0612 175.6028 93 E 3.9505 7.4708 122.0625 57.4100 30.6464 175.8349 94 Y 4.8020 7.9426 116.4171 57.0490 38.7387 177.0317 95 G 3.6382 7.8606 109.4850 47.7255 0.0000 174.2037 96 D 4.7437 8.0045 117.9878 53.5691 39.7859 175.4379 97 C 5.0126 7.7105 116.8616 58.0657 31.6245 173.4202 98 Y 4.4537 8.7524 119.0449 58.2553 38.9630 175.0452 99 I 5.4605 9.2094 123.5402 59.6974 41.2939 174.4285 100 R 4.9714 9.3970 126.5202 54.4968 33.7431 173.8055 101 V 4.6296 8.1262 125.4552 61.3362 33.4201 174.3978 102 A 5.1865 9.2157 129.1932 50.0339 22.7922 174.7447 103 G 4.5178 8.6831 107.1842 44.3351 0.0000 172.0324 104 F 4.8404 9.1626 125.9266 55.9867 42.4646 173.3715 105 D 5.0591 8.1214 127.1381 53.2137 41.5027 176.5343 106 N 4.9389 9.1468 123.6200 54.3661 38.4384 176.4854 107 I 4.0056 8.0837 120.1266 64.1406 37.4117 177.3025 108 K 4.0237 8.1999 116.2462 56.4662 32.8460 176.0758 109 E 3.8522 8.0504 119.0498 56.7974 27.8796 172.8083 110 C 4.5128 7.2719 118.3858 57.4991 36.3425 173.2934 111 Q 4.2364 8.3536 125.3135 56.2932 28.6304 175.3187 112 T 4.2191 8.7186 116.8942 62.2198 70.7591 174.9371 113 S 4.8967 7.3266 116.1095 56.7320 67.4965 173.4745 114 S 4.9407 8.6022 111.4744 57.8641 64.8544 175.1823 115 F 5.0911 8.0852 121.9958 55.4707 41.5485 173.8940 116 I 4.3248 8.6990 122.6565 61.8151 37.3814 176.2132 117 V 4.5051 8.6936 118.3222 61.8320 33.2485 175.6442 118 H 4.8841 8.0854 120.3552 54.7654 33.2112 172.0526 119 R 4.5427 8.1108 124.0097 53.2247 32.6577 174.0430 120 P 4.5294 0.0000 0.0000 61.6162 32.5850 175.6226 121 G 3.6527 8.7619 108.0942 46.7841 0.0000 173.7419 122 R 4.1022 8.4768 122.0640 56.1300 31.0538 176.2551 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 2 S 8.32 4.28 0.00 3.85 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 3 M 9.32 3.25 0.00 2.44 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 4 K 9.06 4.60 0.00 1.75 1.75 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.38 7.81 5 T 8.30 4.04 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 1.22 0.00 0.00 6 L 8.45 4.04 0.00 1.60 1.60 0.97 1.07 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 7 P 0.00 4.48 0.00 2.08 1.97 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 8 K 8.31 4.44 0.00 1.74 1.74 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.41 7.81 9 E 8.31 4.60 0.00 1.84 1.69 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 2.17 2.30 0.00 10 R 8.54 3.84 0.00 1.74 1.68 0.00 3.12 0.00 0.00 2.78 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.47 0.00 11 R 7.76 4.53 0.00 1.72 1.69 0.00 3.15 0.00 0.00 3.00 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.41 0.00 12 F 8.24 4.84 0.00 3.10 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 13 E 8.44 3.57 0.00 2.18 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 2.30 2.23 0.00 14 T 8.34 3.94 4.14 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 0.30 0.00 0.00 15 F 9.03 4.51 0.00 3.27 3.21 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 16 S 8.30 4.60 0.00 4.23 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 0.00 17 Y 8.12 4.35 0.00 2.98 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 18 L 7.63 4.61 0.00 1.81 1.59 0.89 1.12 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 19 P 0.00 4.24 0.00 2.02 2.02 0.00 3.71 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 2.04 2.15 0.00 20 P 0.00 4.23 0.00 2.04 2.04 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 21 L 8.40 4.34 0.00 1.62 1.51 0.58 0.68 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 22 S 8.96 4.38 0.00 4.03 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 23 D 8.57 4.41 0.00 2.79 2.77 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 0.00 0.00 0.00 0.00 24 R 7.90 4.08 0.00 1.84 1.95 0.00 3.12 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 25 Q 7.83 3.96 0.00 2.26 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 26 I 8.13 3.68 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 1.61 1.04 1.14 0.00 0.00 27 A 8.11 4.09 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 28 A 7.99 3.98 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 29 Q 7.96 4.05 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.24 1.84 0.00 30 I 8.14 4.02 2.12 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.31 1.00 0.00 0.00 31 E 8.70 4.03 0.00 2.25 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 0.00 2.36 2.45 0.00 32 Y 8.10 4.10 0.00 3.10 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 33 M 8.27 4.02 0.00 2.26 2.46 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.96 0.00 34 I 7.92 3.64 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.03 1.00 0.00 0.00 35 E 7.99 3.85 0.00 1.93 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 0.00 2.18 2.25 0.00 36 Q 7.43 3.67 0.00 1.25 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.51 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 37 G 7.36 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 38 F 7.05 4.92 0.00 2.96 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 39 H 9.08 4.95 0.00 3.35 3.29 0.00 5.81 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 40 P 0.00 4.99 0.00 2.11 2.02 0.00 3.83 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 41 L 9.24 4.93 0.00 1.62 1.45 0.90 0.97 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 42 I 8.55 5.04 2.11 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.71 0.92 0.00 0.00 43 E 9.19 5.56 0.00 2.11 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 0.00 2.28 2.24 0.00 44 F 8.94 5.73 0.00 3.04 3.08 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 0.00 0.00 0.00 0.00 45 N 8.65 4.94 0.00 1.44 1.42 0.00 0.00 7.17 7.09 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 46 E 8.75 4.04 0.00 1.89 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 2.13 2.20 0.00 47 H 7.62 5.11 0.00 3.01 3.16 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.25 4.56 0.00 2.84 3.54 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 49 N 7.77 4.80 0.00 2.76 2.69 0.00 0.00 6.74 8.03 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 50 P 0.00 4.48 0.00 2.15 2.16 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 51 E 7.57 3.85 0.00 2.18 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 2.25 0.00 *64 E 7.77 4.11 0.00 2.10 1.97 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 2.14 2.23 0.00 65 F 8.36 4.51 0.00 2.37 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 0.00 0.00 0.00 66 Y 8.32 4.91 0.00 3.07 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 67 W 8.86 4.79 0.00 3.12 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 68 T 8.06 4.22 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 0.99 0.00 0.00 69 M 8.42 4.48 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.69 0.00 70 W 9.38 4.76 0.00 3.72 3.32 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 71 K 8.49 3.38 0.00 1.63 0.74 0.00 1.68 0.00 0.00 1.53 0.00 0.00 2.73 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.81 0.21 7.81 72 L 8.24 4.86 0.00 1.54 1.50 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.23 0.00 0.49 1.47 0.00 3.47 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.88 0.00 74 L 8.24 4.32 0.00 1.71 1.63 0.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 75 F 8.22 4.32 0.00 3.07 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 76 A 7.73 4.87 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 77 C 8.08 4.26 0.00 3.08 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 78 A 8.74 4.51 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 79 A 7.68 4.78 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 80 P 0.00 4.29 0.00 2.20 2.19 0.00 3.63 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 81 Q 8.06 3.95 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 82 Q 7.88 4.01 0.00 2.15 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 83 V 7.75 3.62 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 1.07 0.00 0.00 1.04 0.00 0.00 84 L 8.24 4.03 0.00 1.89 1.73 0.99 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.69 4.39 0.00 2.85 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 86 E 8.14 4.14 0.00 2.20 2.25 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 2.64 2.62 0.00 87 V 7.97 3.44 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 0.98 0.00 0.00 0.96 0.00 0.00 88 R 8.08 3.81 0.00 2.03 1.91 0.00 3.32 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 89 E 8.16 3.92 0.00 2.34 2.27 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 2.44 2.41 0.00 90 C 7.60 2.45 0.00 1.31 2.40 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 91 R 7.39 3.72 0.00 1.85 1.78 0.00 3.08 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.17 0.00 92 S 7.61 4.13 0.00 3.98 3.91 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 0.00 0.00 0.00 93 E 7.47 3.95 0.00 1.86 1.92 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 2.14 1.47 0.00 94 Y 7.94 4.80 0.00 2.74 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 95 G 7.86 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.00 4.74 0.00 2.78 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 C 7.71 5.01 0.00 3.12 3.06 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 98 Y 8.75 4.45 0.00 2.84 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 99 I 9.21 5.46 1.97 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.96 0.98 0.00 0.00 100 R 9.40 4.97 0.00 1.66 1.49 0.00 2.38 0.00 0.00 2.83 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.19 0.00 101 V 8.13 4.63 1.15 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 0.76 0.00 0.00 0.81 0.00 0.00 102 A 9.22 5.19 1.17 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 0.00 0.00 0.00 103 G 8.68 4.52 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 0.00 0.00 0.00 104 F 9.16 4.84 0.00 3.18 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 0.00 105 D 8.12 5.06 0.00 2.27 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 0.00 0.00 0.00 0.00 106 N 9.15 4.94 0.00 3.05 3.27 0.00 0.00 6.32 7.81 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 0.00 107 I 8.08 4.01 2.07 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 1.33 0.61 0.93 0.00 0.00 108 K 8.20 4.02 0.00 1.73 1.77 0.00 1.88 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.49 7.81 109 E 8.05 3.85 0.00 2.10 1.96 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 2.44 2.66 0.00 110 C 7.27 4.51 0.00 2.81 2.41 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 0.00 111 Q 8.35 4.24 0.00 2.14 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.66 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 112 T 8.72 4.22 3.55 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 0.44 0.00 0.00 113 S 7.33 4.90 0.00 3.99 4.05 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 0.00 114 S 8.60 4.94 0.00 3.71 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 0.00 115 F 8.09 5.09 0.00 3.31 3.18 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 0.00 116 I 8.70 4.32 1.99 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.99 1.07 0.00 0.00 117 V 8.69 4.51 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 0.75 0.00 0.00 0.99 0.00 0.00 118 H 8.09 4.88 0.00 3.12 3.09 0.00 5.62 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.11 4.54 0.00 1.45 1.44 0.00 3.20 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.47 0.00 120 P 0.00 4.53 0.00 1.86 1.92 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.12 0.00 121 G 8.76 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 R 8.48 4.10 0.00 1.99 1.91 0.00 3.07 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.