NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3308 8.3149 120.0006 57.1612 33.7087 177.6043 4 C 5.3662 8.6424 109.5068 55.5945 37.9630 169.9128 5 S 4.9584 8.5083 116.5465 56.0038 64.8829 173.9821 6 L 4.0750 8.5773 127.5268 56.9105 41.4821 177.6846 7 T 4.5555 6.3255 113.6240 64.0283 69.4804 175.1381 8 G 3.6993 8.6900 110.5443 44.1609 0.0000 171.8697 9 K 5.1264 7.9096 116.1826 54.8870 35.9203 175.3476 10 W 5.1120 9.5250 121.9904 55.1923 33.5524 174.0528 11 T 5.2791 9.7210 116.8213 60.3702 70.1610 172.4939 12 N 5.8406 9.0129 124.8847 49.4420 40.6456 174.9521 13 D 4.5104 8.7670 117.5660 55.1853 39.2224 176.8883 14 L 4.5222 8.5035 119.0051 54.4433 42.2867 177.4479 15 G 3.9379 8.3325 107.2850 45.3000 0.0000 174.4542 16 S 4.5146 7.5520 115.7195 58.4766 64.4014 172.8448 17 N 5.7287 8.5782 119.1949 51.8096 42.4724 173.4276 18 M 5.2348 8.9565 118.3054 54.1003 35.6281 173.8465 19 T 5.1013 8.9242 115.9334 61.9254 72.8252 173.3996 20 I 4.6813 9.0428 125.7116 59.5763 40.7880 176.0608 21 G 4.1282 8.5587 116.3357 45.4602 0.0000 172.3157 22 A 4.1986 8.7043 122.5501 52.4625 18.8366 177.3923 23 V 4.8629 8.4263 120.3335 59.0932 33.3905 175.9055 24 N 4.7601 8.4753 121.9957 51.0934 39.0598 175.5450 25 S 4.2442 8.5309 112.3913 60.7877 62.6800 175.1216 26 R 4.4188 8.7811 118.0724 55.4305 31.9795 176.5043 27 G 4.1740 8.3440 105.4110 45.8143 0.0000 172.4632 28 E 5.0580 8.2603 119.2723 54.5188 32.0518 174.9328 29 F 5.2376 7.8233 116.6822 55.5571 42.1484 173.4182 30 T 4.9782 8.6583 115.9061 62.1145 71.9020 173.4694 31 G 4.5371 8.9345 111.2477 45.3525 0.0000 171.0105 32 T 5.2249 8.6590 109.1357 59.9417 72.5659 172.9159 33 Y 4.8047 9.0910 124.0057 56.5162 42.3272 174.1933 34 I 4.3563 8.5349 129.6985 59.7048 37.3599 174.8720 35 T 4.5336 9.0711 120.9365 62.7900 67.4817 173.3867 36 A 4.4608 10.3442 129.9965 52.5893 19.6777 177.1596 37 V 4.4586 7.2536 113.7597 60.2892 34.8368 174.4050 38 A 4.2120 7.6475 120.2556 52.5883 21.9041 175.2274 39 D 4.4802 8.8818 114.5234 56.6253 41.5131 176.9914 40 N 4.8404 7.6754 118.6766 50.2004 38.6633 173.0027 41 P 4.0910 0.0000 0.0000 65.3064 31.8278 179.0102 42 G 3.8518 8.1006 105.3421 48.4231 0.0000 173.7478 43 N 4.4906 7.9576 115.7789 53.9892 39.2318 175.6689 44 I 2.0000 6.4361 118.6777 61.6439 37.6728 175.0257 45 T 4.6468 7.8062 111.3902 59.8178 71.3853 173.2215 46 L 4.2725 8.6064 122.0070 56.1799 41.8033 176.9253 47 S 5.1028 9.0337 119.4723 55.9958 66.5615 172.3472 48 P 4.7670 0.0000 0.0000 62.6731 33.4668 174.4058 49 L 5.0852 8.4221 120.4105 53.8059 46.1166 174.4927 50 L 4.9420 9.0317 125.0840 53.4000 46.3618 175.7359 51 G 4.0796 7.7093 109.6222 45.5054 0.0000 171.0406 52 I 5.1862 8.9815 120.0878 59.7477 41.6748 174.8033 53 Q 5.3255 9.5969 125.1608 54.4836 32.0527 175.0333 54 H 4.3457 8.8471 117.9000 56.1593 29.4562 176.5714 *57 K 4.7501 8.4951 118.3940 56.8712 33.8832 178.7398 58 R 4.0085 8.2114 116.1567 58.2698 30.1970 176.4695 59 A 4.7164 7.1539 120.1975 50.4925 20.7602 176.9319 60 S 4.4598 8.4543 113.5433 59.5614 64.5426 174.6350 61 Q 5.2057 7.8215 120.0657 52.7713 28.0126 173.1299 62 P 4.6734 0.0000 0.0000 62.7085 33.6750 177.3132 63 T 4.6398 8.4204 116.2853 62.2761 68.9117 172.9445 64 F 5.4191 8.6112 121.0109 55.9971 42.1427 173.0166 65 G 4.5670 9.5105 105.7429 45.0066 0.0000 171.5423 66 F 5.5729 8.9577 116.3266 55.8086 42.6073 173.0187 67 T 5.0192 9.3472 115.1367 61.8523 71.8924 173.4382 68 V 4.3850 8.7888 127.0328 61.2280 33.5821 174.1348 69 N 4.6203 8.0167 126.8946 51.3502 39.6532 174.1320 70 W 4.4101 7.5143 126.9208 56.0031 28.9561 176.9558 71 K 4.1538 8.7432 123.0105 57.2145 31.4833 176.9463 72 F 5.0409 7.5109 109.6364 56.4622 38.8124 173.8434 73 S 4.6613 7.6615 114.7802 57.1370 65.9372 173.3691 74 E 4.3621 8.6652 117.5639 56.6172 28.7988 176.3176 75 S 5.0277 7.9389 113.6087 56.9042 67.1963 172.8267 76 T 4.7945 8.7381 115.7094 62.1214 72.7022 173.3208 77 T 5.0499 8.1121 121.7480 61.8057 72.2489 173.3207 78 V 4.7586 8.4404 118.8117 59.4923 35.0012 174.6371 79 F 5.3466 8.9959 123.1976 55.8440 41.9245 174.5136 80 T 4.7182 9.5037 112.5335 59.2955 72.6838 174.1737 81 G 4.1080 5.8703 106.0730 45.7306 0.0000 170.8354 82 Q 4.8442 7.6491 119.5611 54.2993 33.3308 175.9086 83 C 4.9544 9.3888 126.1437 56.3207 39.3456 172.4831 84 F 6.0783 9.6458 124.0380 55.1012 43.1811 173.8003 85 I 5.4469 7.8003 118.4404 59.1821 41.1612 174.7624 *89 G 3.7048 8.4125 109.5628 45.3643 0.0000 172.3596 90 K 4.7546 8.1795 123.3367 54.2607 36.0030 175.2037 91 E 4.6472 8.5696 119.3069 56.4747 30.3797 176.4698 92 V 5.1866 8.7183 121.3291 60.2982 35.7189 174.0188 93 L 5.4263 9.2541 122.9576 53.3034 44.4394 175.3876 94 K 5.1277 8.9170 125.1393 55.2751 33.9346 176.2649 95 T 5.1974 9.0336 114.2516 60.8602 72.7107 172.8154 96 M 5.2379 9.2269 123.7760 53.5677 35.9123 174.4472 97 W 5.6187 7.7905 116.1713 55.1735 32.7459 173.6442 98 L 5.4944 8.7902 119.2968 53.0135 44.9327 175.3545 99 L 5.1063 9.5881 126.5066 53.2625 44.6538 174.7175 100 R 4.9472 9.4520 127.6789 54.8992 31.7753 175.3886 101 S 4.8148 9.0343 123.2548 57.6328 64.5267 173.8527 102 S 4.4429 8.4488 116.8281 57.9536 63.0981 173.8596 103 V 4.3674 8.2411 119.3148 59.9456 34.1420 174.9414 104 N 4.6976 8.5214 116.5547 53.8377 39.8473 175.2759 105 D 4.9886 7.5920 116.3737 51.7397 44.1637 176.1780 106 I 3.7402 8.4752 124.9143 63.9575 38.1416 178.0688 107 G 3.7298 8.2691 107.8367 47.8310 0.0000 173.7350 108 D 4.9949 8.1809 119.5952 54.3081 41.1980 177.9660 109 D 4.2318 8.2929 122.6779 57.1370 41.3171 178.6944 110 W 4.4794 8.0378 115.1070 58.6101 28.1502 176.3707 111 K 3.8343 6.5865 115.1280 56.1571 32.6866 176.8573 112 A 4.2906 8.0832 123.0066 52.9757 18.4755 176.5929 113 T 5.0981 7.3854 112.1598 62.1170 71.3344 173.8678 114 R 4.9200 9.1320 125.9569 54.4339 33.1934 175.6633 115 V 4.5773 8.1275 120.1222 59.7739 34.2326 175.4072 116 G 2.8714 5.8526 111.4202 45.0024 0.0000 171.9138 117 Y 5.0476 7.8138 122.1059 57.0988 40.4515 172.8553 118 N 5.3498 9.4368 116.7883 52.7973 44.4128 173.8454 119 I 5.3234 9.5297 120.9479 60.1373 41.2331 174.5669 120 F 5.5505 9.8727 126.1912 56.1147 42.2564 174.8604 121 T 5.3498 9.7084 118.3492 61.6821 72.7879 173.9915 122 R 3.7726 8.7387 123.3023 56.1250 31.2137 176.6103 123 L 4.2135 7.5818 121.5625 55.2987 42.2766 176.0510 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 3 K 8.31 4.33 0.00 1.91 1.90 0.00 1.56 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.50 7.81 4 C 8.64 5.37 0.00 3.27 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 5 S 8.51 4.96 0.00 3.82 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 6 L 8.58 4.08 0.00 1.26 0.93 0.17 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 7 T 6.33 4.56 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 1.18 0.00 0.00 8 G 8.69 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 0.00 0.00 0.00 9 K 7.91 5.13 0.00 1.81 1.83 0.00 1.38 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.31 7.81 10 W 9.53 5.11 0.00 3.35 3.43 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 11 T 9.72 5.28 4.27 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 1.32 0.00 0.00 12 N 9.01 5.84 0.00 1.98 1.42 0.00 0.00 6.60 7.64 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 13 D 8.77 4.51 0.00 2.85 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 14 L 8.50 4.52 0.00 1.79 1.70 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.33 3.94 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 0.00 0.00 0.00 16 S 7.55 4.51 0.00 3.94 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 17 N 8.58 5.73 0.00 2.63 2.60 0.00 0.00 6.65 7.60 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 18 M 8.96 5.23 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 19 T 8.92 5.10 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 20 I 9.04 4.68 2.05 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.62 0.56 0.00 0.00 21 G 8.56 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 0.00 0.00 0.00 0.00 22 A 8.70 4.20 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 23 V 8.43 4.86 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 0.99 0.00 0.00 24 N 8.48 4.76 0.00 2.98 3.03 0.00 0.00 5.97 7.64 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 25 S 8.53 4.24 0.00 4.00 4.09 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 0.00 0.00 0.00 26 R 8.78 4.42 0.00 1.89 1.96 0.00 3.11 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 1.54 1.53 0.00 27 G 8.34 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 0.00 0.00 0.00 0.00 28 E 8.26 5.06 0.00 1.86 1.79 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 2.24 2.24 0.00 29 F 7.82 5.24 0.00 3.07 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 30 T 8.66 4.98 4.27 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 1.26 0.00 0.00 31 G 8.93 4.54 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 0.00 0.00 0.00 32 T 8.66 5.22 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 1.24 0.00 0.00 33 Y 9.09 4.80 0.00 2.95 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 34 I 8.53 4.36 1.84 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 1.13 0.82 0.93 0.00 0.00 35 T 9.07 4.53 4.91 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 1.52 0.00 0.00 36 A 10.34 4.46 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 37 V 7.25 4.46 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 0.69 0.00 0.00 0.90 0.00 0.00 38 A 7.65 4.21 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 39 D 8.88 4.48 0.00 2.63 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 40 N 7.68 4.84 0.00 2.84 2.73 0.00 0.00 7.09 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 41 P 0.00 4.09 0.00 2.11 2.04 0.00 3.59 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 2.08 2.05 0.00 42 G 8.10 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 43 N 7.96 4.49 0.00 2.84 2.89 0.00 0.00 6.99 7.00 0.00 0.00 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 I 6.44 2.00 1.58 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 0.64 0.06 0.81 0.00 0.00 45 T 7.81 4.65 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 1.30 0.00 0.00 46 L 8.61 4.27 0.00 1.62 1.78 0.96 0.93 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 47 S 9.03 5.10 0.00 3.90 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 48 P 0.00 4.77 0.00 2.09 2.19 0.00 3.95 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 2.01 1.95 0.00 49 L 8.42 5.09 0.00 1.69 1.62 0.80 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 50 L 9.03 4.94 0.00 1.53 1.39 0.86 0.44 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 51 G 7.71 4.08 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 0.00 0.00 0.00 52 I 8.98 5.19 1.85 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 1.14 0.47 0.88 0.00 0.00 53 Q 9.60 5.33 0.00 2.21 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 54 H 8.85 4.35 0.00 3.17 3.31 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *57 K 8.50 4.75 0.00 1.88 1.93 0.00 2.05 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.41 7.81 58 R 8.21 4.01 0.00 1.83 2.02 0.00 3.20 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 59 A 7.15 4.72 1.25 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 60 S 8.45 4.46 0.00 4.00 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 61 Q 7.82 5.21 0.00 1.85 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.11 0.00 0.00 0.00 0.00 0.00 2.31 2.14 0.00 62 P 0.00 4.67 0.00 2.22 2.28 0.00 3.68 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 2.12 1.99 0.00 63 T 8.42 4.64 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 1.27 0.00 0.00 64 F 8.61 5.42 0.00 3.32 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 65 G 9.51 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.96 5.57 0.00 3.18 3.29 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 67 T 9.35 5.02 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 1.13 0.00 0.00 68 V 8.79 4.39 1.01 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 -0.47 0.00 0.00 0.63 0.00 0.00 69 N 8.02 4.62 0.00 2.66 2.61 0.00 0.00 7.24 7.60 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 70 W 7.51 4.41 0.00 3.17 2.22 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 71 K 8.74 4.15 0.00 1.79 1.98 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.15 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.55 7.81 72 F 7.51 5.04 0.00 3.21 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 73 S 7.66 4.66 0.00 3.85 3.56 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 74 E 8.67 4.36 0.00 1.97 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 2.30 2.29 0.00 75 S 7.94 5.03 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 76 T 8.74 4.79 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 77 T 8.11 5.05 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 0.54 0.00 0.00 78 V 8.44 4.76 2.00 0.00 0.00 0.00 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 0.92 0.00 0.00 79 F 9.00 5.35 0.00 1.51 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 0.00 0.00 0.00 0.00 80 T 9.50 4.72 4.08 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 1.16 0.00 0.00 81 G 5.87 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 82 Q 7.65 4.84 0.00 1.92 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 7.02 0.00 0.00 0.00 0.00 0.00 1.33 2.15 0.00 83 C 9.39 4.95 0.00 3.02 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 84 F 9.65 6.08 0.00 2.94 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 85 I 7.80 5.45 1.96 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 1.40 2.24 0.98 0.00 0.00 *89 G 8.41 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 0.00 0.00 0.00 90 K 8.18 4.75 0.00 1.99 1.91 0.00 1.46 0.00 0.00 1.90 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.52 7.81 91 E 8.57 4.65 0.00 2.20 2.38 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 2.60 2.42 0.00 92 V 8.72 5.19 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 1.00 0.00 0.00 1.09 0.00 0.00 93 L 9.25 5.43 0.00 1.78 1.82 -0.51 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.92 5.13 0.00 1.90 1.83 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.32 7.81 95 T 9.03 5.20 4.62 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 1.48 0.00 0.00 96 M 9.23 5.24 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 97 W 7.79 5.62 0.00 2.87 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 98 L 8.79 5.49 0.00 1.65 1.62 0.91 0.43 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 99 L 9.59 5.11 0.00 1.50 1.60 0.86 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 100 R 9.45 4.95 0.00 1.92 1.88 0.00 3.40 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 101 S 9.03 4.81 0.00 3.67 3.71 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 0.00 102 S 8.45 4.44 0.00 3.86 3.73 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 0.00 103 V 8.24 4.37 2.03 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 0.74 0.00 0.00 0.93 0.00 0.00 104 N 8.52 4.70 0.00 2.70 2.86 0.00 0.00 6.57 8.06 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 0.00 105 D 7.59 4.99 0.00 2.72 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 0.00 106 I 8.48 3.74 1.89 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 1.38 1.20 0.93 0.00 0.00 107 G 8.27 3.73 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 0.00 0.00 0.00 108 D 8.18 4.99 0.00 2.99 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 0.00 109 D 8.29 4.23 0.00 2.87 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 0.00 110 W 8.04 4.48 0.00 3.65 3.26 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 0.00 111 K 6.59 3.83 0.00 1.04 0.74 0.00 0.84 0.00 0.00 1.01 0.00 0.00 2.76 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.30 0.60 7.81 112 A 8.08 4.29 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 0.00 113 T 7.39 5.10 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 1.23 0.00 0.00 114 R 9.13 4.92 0.00 1.92 2.09 0.00 3.15 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 115 V 8.13 4.58 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 0.61 0.00 0.00 0.72 0.00 0.00 116 G 5.85 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 0.00 0.00 0.00 117 Y 7.81 5.05 0.00 3.09 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 0.00 118 N 9.44 5.35 0.00 3.37 2.84 0.00 0.00 7.12 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 0.00 119 I 9.53 5.32 2.01 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 1.40 1.23 1.04 0.00 0.00 120 F 9.87 5.55 0.00 2.85 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 0.00 121 T 9.71 5.35 4.36 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 1.29 0.00 0.00 122 R 8.74 3.77 0.00 1.41 1.36 0.00 3.14 0.00 0.00 2.83 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.28 0.00 123 L 7.58 4.21 0.00 1.44 1.51 0.90 0.80 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 * Residues marked with a * may have inaccurate shift predictions.