NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.5567 8.2893 118.1984 55.3025 32.5871 174.4314 1 I 4.5918 7.9515 112.3101 57.6100 40.6330 172.7377 2 Q 4.9704 9.2636 120.8234 54.8361 32.9054 175.7552 3 R 4.6639 8.9341 119.9119 54.9806 34.5759 174.1644 4 T 4.5995 8.6571 119.4561 60.6947 68.2510 172.4820 5 P 4.7386 0.0000 0.0000 63.6474 32.2527 176.4718 6 K 4.5060 8.7123 125.3106 54.5678 33.7693 175.6818 7 I 4.9053 8.2039 122.4129 59.6618 40.3103 174.7050 8 Q 4.7875 9.3686 127.0406 53.9703 31.5417 174.9028 9 V 4.9862 8.5208 123.7017 61.3558 33.6206 173.9766 10 Y 5.0641 8.2661 124.9093 55.9520 41.5664 173.9408 11 S 4.9705 8.7639 117.7021 57.8497 64.7691 174.6485 12 R 4.1783 8.6619 123.1057 60.2803 28.9448 177.3529 13 H 4.9865 7.7375 114.0762 52.4773 31.4679 172.6762 14 P 4.1649 0.0000 0.0000 63.0515 31.5059 176.3612 15 A 4.0661 8.6996 127.9630 52.4055 18.5174 177.6194 16 E 4.4079 8.5454 120.1543 54.6261 30.2007 171.2170 17 N 4.1370 8.4582 122.9276 54.2500 38.9070 174.7741 18 G 3.9096 9.0869 114.9918 44.9413 0.0000 172.4884 19 K 4.2599 8.2117 121.5113 54.5951 32.5356 176.0143 20 S 4.0823 8.4880 120.8251 59.3212 62.5981 172.5201 21 N 4.8347 8.3755 125.2592 53.5325 41.8420 173.2362 *22 F 4.8002 8.3691 118.8799 55.2319 41.3406 170.6737 23 L 4.6126 8.4833 126.0314 53.0758 43.3775 175.2626 24 N 4.9145 8.6360 123.0704 51.3498 42.0903 172.8935 25 C 4.9666 8.5868 122.6282 57.8491 33.9429 172.2844 26 Y 4.9592 9.4618 129.4337 56.2209 39.9818 174.7478 27 V 4.8499 8.4540 127.7754 60.0404 33.1672 175.0574 28 S 4.5146 8.7300 121.0157 56.5216 65.9855 174.2186 29 G 3.8652 8.6721 108.7049 47.0076 0.0000 173.0862 30 F 5.3674 7.5251 112.6183 55.2634 40.9378 174.8114 31 H 4.8800 8.8929 120.0185 54.5561 33.6584 171.6187 32 P 4.5423 0.0000 0.0000 61.9706 32.3315 176.2757 33 S 4.4883 8.6137 113.3156 60.5300 63.4014 174.4637 34 D 4.3838 8.0418 120.9571 55.1040 40.8211 175.4729 35 I 4.1755 7.7111 121.5159 60.2293 40.6688 172.6976 36 E 4.5648 8.4344 124.1879 54.2409 32.1416 174.9194 37 V 4.3768 8.3172 124.7174 61.1191 34.3225 173.8980 38 D 5.0196 8.4602 125.6213 52.4925 44.6933 175.0891 39 L 4.5777 8.3914 121.1283 53.8599 43.7234 175.5345 40 L 5.2229 8.3946 121.1937 52.7729 45.3971 175.7899 41 K 4.3668 9.4481 124.4080 55.8406 34.4773 175.9929 42 N 4.0616 9.9390 125.0868 54.4110 36.0010 175.2881 43 G 3.9972 8.1448 104.1082 45.4601 0.0000 172.8994 44 E 4.5941 8.0974 120.1064 53.8785 31.4523 175.4644 45 R 4.2832 8.5138 123.0571 56.7819 30.4440 175.7958 46 I 4.1327 8.7351 127.3758 60.8326 37.6990 175.5230 47 E 4.3625 8.7284 125.1056 57.6693 30.6162 177.2332 48 K 4.1941 7.7319 118.7165 55.3706 31.1196 174.4153 49 V 4.1694 7.5827 125.5114 62.4408 32.7738 175.9257 50 E 4.1493 9.0097 124.2279 58.5520 29.9797 173.2346 51 H 5.0583 7.8423 114.7523 54.1769 31.3694 174.8786 52 S 4.5419 8.2158 115.7340 57.7822 63.1258 171.2962 53 D 4.8391 8.3673 123.6351 51.9775 41.9706 175.7104 54 L 4.8420 8.5448 126.3586 53.0614 44.1795 175.3605 55 S 4.8463 8.5032 118.9421 56.4248 66.2813 172.5879 56 F 4.8769 8.6733 122.7519 56.3543 41.2139 174.6943 57 S 4.3071 7.4949 120.8802 55.9328 65.2232 172.9039 58 K 4.4979 8.0135 125.2217 55.1501 35.0900 174.7056 59 D 4.7839 8.1621 118.0441 53.4000 44.1121 175.5474 60 W 4.8180 8.3575 132.2597 56.3524 31.7726 173.0084 61 S 4.6171 7.5655 116.3722 57.0891 65.3459 174.3544 62 F 4.8981 8.3813 118.8276 55.8740 41.3854 174.9261 63 Y 4.6742 8.5018 119.2151 56.1651 41.3713 174.9552 64 L 4.7333 8.5033 124.4453 53.1690 45.0413 174.8882 65 L 4.7076 8.7500 127.5611 53.3217 43.6478 174.5498 66 Y 4.9201 8.7176 126.5585 55.9866 40.9096 173.6233 67 Y 4.7311 7.8283 123.6702 56.3626 40.9907 173.4088 68 T 4.2532 7.6276 113.3580 60.7332 70.1902 172.5977 69 E 4.1659 8.4500 126.1044 56.2650 30.1431 175.5887 70 F 4.8280 8.3410 118.7614 56.1866 40.7795 173.9223 71 T 4.0079 7.9035 116.4884 60.5663 69.9017 172.3905 72 P 4.4887 0.0000 0.0000 62.7784 32.0675 175.5954 73 T 4.7760 8.1724 113.3976 60.3161 70.8065 173.3982 74 E 4.1845 8.9396 120.9165 59.4707 29.5086 178.9294 75 K 4.1400 7.9713 115.9072 59.1138 33.2587 176.9296 76 D 4.4087 8.1211 119.8974 54.0065 40.9898 175.1729 77 E 4.6165 8.5703 124.3473 55.3948 30.9315 175.1397 78 Y 4.8767 8.6145 120.1193 56.7102 41.5171 174.1966 79 A 5.1157 8.3266 121.4966 51.6055 22.8492 174.8936 80 C 4.8950 9.1930 119.1817 57.6239 34.7413 172.5991 81 R 5.1350 8.7443 125.6270 54.5132 32.2181 174.5644 82 V 4.4973 8.8232 125.7887 61.0074 34.8487 173.5214 83 N 5.2784 8.6482 124.9539 52.1889 41.6798 172.7192 84 H 4.8524 8.4867 123.3037 54.7553 33.0509 174.4594 85 V 3.6852 7.8214 117.1802 64.2957 31.5075 177.5987 86 T 4.1763 7.9362 107.5999 62.4106 69.1088 174.0708 87 L 4.7459 7.5481 123.0252 52.9848 43.5315 176.9579 88 S 4.2867 8.6229 117.1968 61.0155 63.3747 173.8823 89 Q 4.5720 7.5349 115.9540 53.6027 31.1699 171.8798 90 P 4.4812 0.0000 0.0000 63.1299 32.1621 175.7103 91 K 4.5368 8.9977 124.8576 54.7766 34.3604 174.6657 92 I 4.8501 8.4376 128.1379 59.6263 39.2670 174.9664 93 V 4.3533 8.7959 128.2188 60.6818 33.3903 174.8873 94 K 4.6240 8.7132 129.6612 55.9949 33.1439 175.9526 95 W 4.4855 9.1622 135.0000 57.6059 31.2598 175.9974 96 D 4.4525 8.6035 130.2745 52.5000 40.1089 176.0761 97 R 3.4064 6.8419 123.5713 57.4276 30.5648 176.2883 98 D 4.4005 8.3339 118.7394 53.4064 36.6866 172.5031 99 M 4.1167 7.9252 123.8934 56.1676 31.9010 177.3392 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 0 M 8.29 4.56 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 1 I 7.95 4.59 1.90 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 1.45 0.53 0.93 0.00 0.00 2 Q 9.26 4.97 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 3 R 8.93 4.66 0.00 1.78 2.07 0.00 3.30 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 4 T 8.66 4.60 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 1.23 0.00 0.00 5 P 0.00 4.74 0.00 2.05 2.02 0.00 3.80 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 1.92 1.81 0.00 6 K 8.71 4.51 0.00 1.49 1.71 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.28 7.81 7 I 8.20 4.91 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.04 0.91 0.00 0.00 8 Q 9.37 4.79 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 9 V 8.52 4.99 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 0.88 0.00 0.00 0.95 0.00 0.00 10 Y 8.27 5.06 0.00 3.14 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 11 S 8.76 4.97 0.00 3.95 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 12 R 8.66 4.18 0.00 1.60 1.92 0.00 3.23 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.52 0.00 13 H 7.74 4.99 0.00 3.11 3.25 0.00 5.89 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.16 0.00 2.06 2.03 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 15 A 8.70 4.07 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 16 E 8.55 4.41 0.00 1.89 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 2.23 1.84 0.00 17 N 8.46 4.14 0.00 2.66 2.79 0.00 0.00 7.42 7.98 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 18 G 9.09 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 0.00 0.00 0.00 19 K 8.21 4.26 0.00 1.66 1.86 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.41 7.81 20 S 8.49 4.08 0.00 3.87 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 21 N 8.38 4.83 0.00 2.87 2.66 0.00 0.00 6.71 7.02 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 *22 F 8.37 4.80 0.00 1.97 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 0.00 0.00 0.00 0.00 23 L 8.48 4.61 0.00 1.60 1.53 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.64 4.91 0.00 1.49 2.14 0.00 0.00 6.07 7.28 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 25 C 8.59 4.97 0.00 2.90 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 26 Y 9.46 4.96 0.00 3.27 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 27 V 8.45 4.85 1.91 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 0.76 0.00 0.00 0.67 0.00 0.00 28 S 8.73 4.51 0.00 3.69 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 29 G 8.67 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 0.00 0.00 0.00 30 F 7.53 5.37 0.00 3.00 2.98 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 31 H 8.89 4.88 0.00 3.25 3.19 0.00 5.58 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.54 0.00 2.28 1.95 0.00 3.85 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 1.99 1.95 0.00 33 S 8.61 4.49 0.00 4.10 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 34 D 8.04 4.38 0.00 2.69 2.70 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 35 I 7.71 4.18 1.74 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.23 0.83 0.00 0.00 36 E 8.43 4.56 0.00 1.87 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 2.14 2.23 0.00 37 V 8.32 4.38 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 0.86 0.00 0.00 0.78 0.00 0.00 38 D 8.46 5.02 0.00 2.52 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 39 L 8.39 4.58 0.00 1.58 1.54 0.89 0.51 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 40 L 8.39 5.22 0.00 1.47 1.51 0.91 0.81 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 41 K 9.45 4.37 0.00 1.65 1.62 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.35 7.81 42 N 9.94 4.06 0.00 2.83 2.80 0.00 0.00 7.20 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 43 G 8.14 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.10 4.59 0.00 2.07 1.84 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 2.23 2.37 0.00 45 R 8.51 4.28 0.00 1.76 1.85 0.00 3.22 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 46 I 8.74 4.13 1.95 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 1.29 0.66 0.90 0.00 0.00 47 E 8.73 4.36 0.00 1.94 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 2.24 2.27 0.00 48 K 7.73 4.19 0.00 1.84 1.85 0.00 1.44 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.48 7.81 49 V 7.58 4.17 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 0.81 0.00 0.00 0.98 0.00 0.00 50 E 9.01 4.15 0.00 2.03 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 2.23 1.90 0.00 51 H 7.84 5.06 0.00 3.08 3.23 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.22 4.54 0.00 3.81 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 53 D 8.37 4.84 0.00 2.77 2.65 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 54 L 8.54 4.84 0.00 1.64 1.59 1.09 0.98 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 55 S 8.50 4.85 0.00 4.01 3.82 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 56 F 8.67 4.88 0.00 2.90 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 57 S 7.49 4.31 0.00 3.65 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 58 K 8.01 4.50 0.00 1.86 1.63 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.38 7.81 59 D 8.16 4.78 0.00 2.60 2.54 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 60 W 8.36 4.82 0.00 3.38 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 61 S 7.57 4.62 0.00 3.90 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 62 F 8.38 4.90 0.00 2.90 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 63 Y 8.50 4.67 0.00 2.86 2.85 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 64 L 8.50 4.73 0.00 1.57 1.51 0.86 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.75 4.71 0.00 1.66 1.66 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.72 4.92 0.00 2.82 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 67 Y 7.83 4.73 0.00 2.91 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 68 T 7.63 4.25 3.96 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 1.05 0.00 0.00 69 E 8.45 4.17 0.00 1.96 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 2.30 2.24 0.00 70 F 8.34 4.83 0.00 2.96 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 71 T 7.90 4.01 4.19 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 1.12 0.00 0.00 72 P 0.00 4.49 0.00 2.34 2.06 0.00 3.31 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 1.86 1.55 0.00 73 T 8.17 4.78 4.30 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 1.38 0.00 0.00 74 E 8.94 4.18 0.00 2.03 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 0.00 2.34 2.32 0.00 75 K 7.97 4.14 0.00 1.88 1.96 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.48 7.81 76 D 8.12 4.41 0.00 2.89 2.57 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 77 E 8.57 4.62 0.00 1.92 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 2.31 2.33 0.00 78 Y 8.61 4.88 0.00 3.20 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 79 A 8.33 5.12 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 80 C 9.19 4.90 0.00 3.02 2.79 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 81 R 8.74 5.13 0.00 1.84 1.77 0.00 3.23 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 82 V 8.82 4.50 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 0.93 0.00 0.00 0.91 0.00 0.00 83 N 8.65 5.28 0.00 2.68 2.61 0.00 0.00 6.79 7.89 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 84 H 8.49 4.85 0.00 3.11 3.05 0.00 5.73 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.82 3.69 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 0.70 0.00 0.00 0.77 0.00 0.00 86 T 7.94 4.18 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 1.29 0.00 0.00 87 L 7.55 4.75 0.00 1.80 1.80 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.62 4.29 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.53 4.57 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.93 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 90 P 0.00 4.48 0.00 1.96 2.04 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 91 K 9.00 4.54 0.00 1.81 1.65 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.40 7.81 92 I 8.44 4.85 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 1.25 0.77 0.94 0.00 0.00 93 V 8.80 4.35 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 1.07 0.00 0.00 0.95 0.00 0.00 94 K 8.71 4.62 0.00 1.86 1.74 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.51 1.60 7.81 95 W 9.16 4.49 0.00 3.32 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 8.60 4.45 0.00 2.61 2.46 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 97 R 6.84 3.41 0.00 1.83 1.72 0.00 3.41 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 98 D 8.33 4.40 0.00 2.85 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 99 M 7.93 4.12 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.69 0.00 * Residues marked with a * may have inaccurate shift predictions.