NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 C 4.5397 8.3293 118.3585 58.8729 29.7767 173.5786 11 P 4.2484 0.0000 0.0000 64.0811 32.3958 174.1867 12 L 4.8892 8.2859 122.7731 53.0232 44.7119 176.8543 13 M 4.8274 8.8917 125.3236 53.5164 35.8115 174.8400 14 V 4.8280 8.4007 115.6930 59.2993 35.0699 174.7362 15 K 4.7660 9.0525 126.8386 54.4560 34.7534 174.8500 16 V 4.8780 8.9034 127.4812 59.8417 34.1406 174.6326 17 L 5.0117 8.6977 123.7062 52.8442 45.6581 174.8522 18 D 5.3252 9.1414 122.3494 52.9992 42.1753 176.6997 19 A 4.3043 9.2933 128.5576 53.8732 18.7070 179.0080 20 V 3.8379 8.5929 108.7973 63.7035 31.9687 177.3150 21 R 4.4294 8.7454 112.9389 55.1110 30.0878 175.7077 22 G 3.8338 8.4486 106.7167 46.2930 0.0000 172.8886 23 S 4.8088 7.5262 111.9827 55.7973 67.1370 171.8735 24 P 4.6529 0.0000 0.0000 62.7760 32.0230 175.8943 25 A 4.3931 8.2439 124.3821 51.0970 19.0213 177.2600 26 I 4.0512 8.4667 123.6211 61.2895 38.5665 175.6960 27 N 4.1132 9.2518 122.0582 53.7757 36.6946 174.3925 28 V 4.1011 7.6218 117.4769 62.9866 33.6460 174.6353 29 A 4.7725 8.4379 129.2282 51.2917 20.4104 176.2950 30 V 4.7996 8.8081 115.6329 59.6933 35.3604 174.4591 31 H 5.0567 8.8868 121.3780 52.8301 32.1640 172.7052 32 V 4.5846 8.4087 123.2018 61.1161 33.9842 174.5748 33 F 5.5745 8.7297 125.5316 55.7376 43.1359 174.1876 34 R 5.1018 9.7441 120.1411 54.3629 33.1128 174.0907 35 K 3.6792 8.9236 128.6196 56.2239 32.6642 176.3423 36 A 4.1165 10.3126 129.8953 52.1847 19.5434 178.9123 37 A 3.5641 8.0528 122.1664 55.3013 19.9896 181.2752 38 D 4.5023 7.8912 115.4188 54.6216 40.1075 177.0557 39 D 4.0030 7.6917 115.0012 55.2492 39.0460 174.0863 40 T 4.1158 7.4340 116.2201 62.9670 69.9123 174.0727 41 W 4.9587 8.6304 125.9084 56.1195 29.8981 175.4394 42 E 4.7865 9.8027 126.0754 54.1014 31.0606 174.3415 43 P 4.8290 0.0000 0.0000 63.7352 31.3681 176.0897 44 F 4.7170 9.3293 120.4213 57.0688 41.5969 174.2572 45 A 4.5402 7.6076 118.3012 51.8166 22.1525 174.8904 46 S 4.7045 7.5832 112.7454 58.1177 67.6974 174.8608 47 G 3.8924 7.7587 108.2384 46.3919 0.0000 171.9756 48 K 5.2654 7.7973 117.9513 54.3471 36.0429 176.1926 49 T 4.4975 8.9267 114.6432 61.7470 70.4432 174.6820 50 S 5.2755 8.4014 120.3653 56.4289 65.4120 174.4932 51 E 4.0834 8.8352 117.5038 59.2963 28.8439 178.1068 52 S 4.3707 7.6158 110.2975 58.1712 63.7834 174.7881 53 G 3.9604 9.6701 111.1327 45.2167 0.0000 172.7241 54 E 4.9794 7.5961 116.2153 53.3368 32.6631 172.6326 55 P 5.1902 0.0000 0.0000 62.7064 32.3760 176.0065 *56 H 4.6227 8.6044 119.0891 54.1452 29.4371 172.1704 57 G 4.0013 7.9410 108.8131 47.2599 0.0000 176.2271 58 L 3.7489 7.0606 119.2724 56.7055 41.9644 177.0273 59 T 4.5834 7.2555 105.1180 61.1779 71.5236 172.1488 60 T 4.6735 8.0857 110.1993 59.5263 71.0429 174.7897 61 E 4.0902 8.8656 123.7800 58.3626 29.7369 177.1394 62 E 4.5441 8.0838 114.1179 56.7155 30.8136 176.4751 63 E 4.2818 7.9038 118.5626 58.4751 30.2194 177.2065 64 F 4.5706 8.1946 121.7309 57.7010 37.1192 174.5582 65 V 4.2134 7.2982 118.1489 58.7486 34.2453 175.4854 66 E 4.7810 8.0303 118.9507 55.9149 29.6590 177.1136 67 G 3.9095 7.9125 110.5111 44.8107 0.0000 170.8699 68 I 4.8210 7.2206 120.4602 60.3365 38.5057 174.9554 69 Y 5.1658 9.3258 125.8215 55.8876 41.5200 174.6883 70 K 4.8622 8.5528 122.8490 54.6868 35.3031 174.7271 71 V 4.6039 9.2165 128.2684 61.2541 33.6590 173.8003 72 E 5.0141 9.1451 129.4045 54.5087 32.3057 174.2779 73 I 4.4277 8.8902 128.5481 59.8478 39.2517 174.9337 74 D 4.9751 8.6326 127.8531 53.3700 40.1063 176.3364 75 T 4.0890 8.3600 122.8766 66.3985 69.2542 177.1226 76 K 4.0320 7.9499 120.6596 60.0226 31.9384 178.9471 77 S 4.1729 8.2658 114.9632 61.4898 62.4717 176.0611 78 Y 3.9325 7.7954 122.5951 60.3942 38.4896 178.1009 79 W 3.8808 7.7826 119.3414 59.5611 29.3416 178.5977 80 K 4.5440 8.6465 119.6947 58.9215 31.3344 179.0238 81 A 4.1525 7.6291 119.2179 53.7971 18.3186 178.3460 82 L 4.4569 7.0549 117.0810 54.0257 42.5015 177.2970 83 G 3.9919 8.0852 107.9512 45.0675 0.0000 173.5172 84 I 4.2673 7.7889 121.3201 59.8279 38.4670 174.8953 85 S 4.6455 8.5543 119.8231 55.9413 62.2834 171.8230 86 P 4.4888 0.0000 0.0000 61.7208 32.5958 176.5785 87 F 3.8981 8.2849 121.4939 61.2536 39.3344 175.6380 88 H 4.4556 7.7739 116.0790 54.9575 29.7924 175.2872 89 E 4.2161 8.7288 123.1900 59.7206 30.5101 176.0347 90 H 4.6222 7.2875 111.2606 55.2160 31.4381 172.7984 91 A 4.6257 8.4869 119.7834 49.9953 21.4191 175.3185 92 E 5.1265 8.8670 119.0588 54.5680 33.4382 174.9584 93 V 4.4842 9.1026 122.0644 61.4625 34.0697 174.4451 94 V 5.1783 8.7316 121.7967 59.6708 33.4214 175.2238 95 F 5.1859 9.1980 120.0014 55.5080 42.0202 173.6949 96 T 5.0268 8.8109 116.6168 62.7691 69.2489 174.1621 97 A 4.6630 9.7198 129.7408 50.6265 22.0492 176.1956 98 N 4.8120 9.4983 115.0473 53.3772 36.8431 176.3273 99 D 4.4167 8.3360 117.4644 58.2593 40.9264 178.1910 100 S 4.2993 7.8860 111.0561 58.4159 63.8205 172.8771 101 G 4.1450 7.3912 107.9984 42.5210 0.0000 171.3564 102 P 5.7561 0.0000 0.0000 62.6610 32.4775 175.7924 103 R 5.3785 8.8892 121.0297 54.8889 35.1348 173.9282 104 R 4.8491 8.7793 118.7499 55.0027 32.6367 175.0734 105 Y 5.0134 9.1458 122.1160 56.4452 41.0142 174.9333 106 T 5.0269 8.5048 119.5333 61.8577 71.9153 172.8301 107 I 4.7952 8.7965 127.6902 59.4768 39.5794 174.5052 108 A 5.2130 8.9899 128.6149 49.9873 22.0752 174.8448 109 A 5.0688 8.8276 122.9182 49.9110 22.4597 174.9266 110 L 5.0646 8.6854 123.7712 53.3866 44.7329 175.0830 111 L 5.2275 9.1831 127.2162 53.7255 44.2182 176.0436 112 S 4.7333 8.8904 117.0653 56.3687 67.5095 173.2999 113 P 3.3174 0.0000 0.0000 65.5691 31.0777 177.6544 114 Y 4.4760 7.9101 111.0941 57.3736 38.5991 175.0497 115 S 4.7876 8.0925 113.7961 57.5325 65.7292 172.3795 116 Y 5.8668 7.8976 121.4840 56.1667 40.8637 173.9283 117 S 4.9602 8.9378 116.0431 57.2068 66.9928 173.0293 118 T 5.2095 8.4639 117.4855 62.3253 72.2108 173.5638 119 T 4.7848 8.6345 119.9690 61.7898 72.9673 172.6161 120 A 5.0769 8.6841 126.5671 50.0878 21.9879 176.0294 121 V 4.1831 8.4174 121.4545 61.3331 33.8286 174.4620 122 V 4.4528 8.2275 121.3296 59.9627 33.3244 175.7260 123 T 4.5855 8.3195 121.4855 61.0728 71.6615 173.1856 124 N 4.2228 8.8244 122.3088 53.2773 39.5410 172.7483 125 P 5.4342 0.0000 0.0000 62.6404 31.3633 176.1733 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 10 C 8.33 4.54 0.00 2.93 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 11 P 0.00 4.25 0.00 2.14 2.51 0.00 3.66 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 1.80 2.03 0.00 12 L 8.29 4.89 0.00 0.66 1.12 0.88 0.75 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 13 M 8.89 4.83 0.00 2.08 1.84 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 14 V 8.40 4.83 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 0.63 0.00 0.00 0.86 0.00 0.00 15 K 9.05 4.77 0.00 1.75 1.60 0.00 1.54 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.29 1.31 7.81 16 V 8.90 4.88 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 0.58 0.00 0.00 0.70 0.00 0.00 17 L 8.70 5.01 0.00 1.61 1.58 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.14 5.33 0.00 2.78 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 19 A 9.29 4.30 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.59 3.84 2.23 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 0.85 0.00 0.00 1.33 0.00 0.00 21 R 8.75 4.43 0.00 1.94 2.10 0.00 3.62 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 22 G 8.45 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 23 S 7.53 4.81 0.00 3.88 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 0.00 24 P 0.00 4.65 0.00 2.10 2.16 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.96 0.00 25 A 8.24 4.39 0.53 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 26 I 8.47 4.05 1.87 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 1.54 0.61 0.87 0.00 0.00 27 N 9.25 4.11 0.00 2.81 2.94 0.00 0.00 6.84 7.55 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 28 V 7.62 4.10 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 0.64 0.00 0.00 0.54 0.00 0.00 29 A 8.44 4.77 1.20 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 0.00 0.00 0.00 30 V 8.81 4.80 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 0.62 0.00 0.00 0.83 0.00 0.00 31 H 8.89 5.06 0.00 2.73 2.63 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.41 4.58 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 1.13 0.00 0.00 0.89 0.00 0.00 33 F 8.73 5.57 0.00 2.54 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 34 R 9.74 5.10 0.00 1.70 1.85 0.00 2.48 0.00 0.00 2.50 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.80 0.00 35 K 8.92 3.68 0.00 0.79 1.16 0.00 1.39 0.00 0.00 0.97 0.00 0.00 2.44 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.94 0.37 7.81 36 A 10.31 4.12 1.37 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 37 A 8.05 3.56 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 38 D 7.89 4.50 0.00 2.64 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 39 D 7.69 4.00 0.00 2.68 2.55 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 0.00 40 T 7.43 4.12 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 1.23 0.00 0.00 41 W 8.63 4.96 0.00 3.05 2.64 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 42 E 9.80 4.79 0.00 2.48 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 0.00 2.41 2.42 0.00 43 P 0.00 4.83 0.00 1.84 2.05 0.00 3.66 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.34 0.00 44 F 9.33 4.72 0.00 2.97 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 45 A 7.61 4.54 1.26 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 0.00 0.00 46 S 7.58 4.70 0.00 3.68 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.76 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 0.00 0.00 0.00 48 K 7.80 5.27 0.00 1.59 1.61 0.00 1.63 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.30 7.81 49 T 8.93 4.50 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 1.14 0.00 0.00 50 S 8.40 5.28 0.00 3.92 4.02 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 51 E 8.84 4.08 0.00 2.08 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 0.00 2.27 2.28 0.00 52 S 7.62 4.37 0.00 4.02 3.99 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 0.00 0.00 0.00 53 G 9.67 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 0.00 0.00 0.00 0.00 54 E 7.60 4.98 0.00 2.05 2.19 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 2.21 2.24 0.00 55 P 0.00 5.19 0.00 2.13 2.02 0.00 3.42 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.83 0.00 *56 H 8.60 4.62 0.00 2.95 2.88 0.00 7.34 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 7.94 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 58 L 7.06 3.75 0.00 1.58 1.61 0.85 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.26 4.58 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 1.33 0.00 0.00 60 T 8.09 4.67 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 1.24 0.00 0.00 61 E 8.87 4.09 0.00 1.99 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 2.35 2.40 0.00 62 E 8.08 4.54 0.00 2.13 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 2.23 2.28 0.00 63 E 7.90 4.28 0.00 2.21 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 0.00 2.37 2.47 0.00 64 F 8.19 4.57 0.00 2.97 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 65 V 7.30 4.21 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 0.76 0.00 0.00 0.87 0.00 0.00 66 E 8.03 4.78 0.00 1.88 1.86 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 2.28 2.40 0.00 67 G 7.91 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 68 I 7.22 4.82 1.74 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.53 1.08 0.00 0.00 69 Y 9.33 5.17 0.00 1.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.55 4.86 0.00 1.27 0.74 0.00 1.55 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.22 1.20 7.81 71 V 9.22 4.60 2.19 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 0.87 0.00 0.00 1.20 0.00 0.00 72 E 9.15 5.01 0.00 2.06 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 2.19 2.11 0.00 73 I 8.89 4.43 1.73 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.00 0.79 0.00 0.00 74 D 8.63 4.98 0.00 2.66 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 75 T 8.36 4.09 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 1.43 0.00 0.00 76 K 7.95 4.03 0.00 2.10 1.87 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.20 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.56 7.81 77 S 8.27 4.17 0.00 4.22 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 78 Y 7.80 3.93 0.00 2.75 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 W 7.78 3.88 0.00 3.59 3.37 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 80 K 8.65 4.54 0.00 1.82 1.88 0.00 1.69 0.00 0.00 2.04 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.45 7.81 81 A 7.63 4.15 1.23 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 0.00 0.00 82 L 7.05 4.46 0.00 1.63 1.73 0.64 0.10 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 83 G 8.09 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.79 4.27 2.43 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.14 0.97 0.00 0.00 85 S 8.55 4.65 0.00 3.86 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 86 P 0.00 4.49 0.00 2.32 2.21 0.00 3.89 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.19 0.00 87 F 8.28 3.90 0.00 1.70 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 88 H 7.77 4.46 0.00 3.19 3.38 0.00 5.95 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.73 4.22 0.00 1.75 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 2.28 2.20 0.00 90 H 7.29 4.62 0.00 3.24 3.28 0.00 5.66 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.49 4.63 0.68 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 0.00 0.00 92 E 8.87 5.13 0.00 1.98 1.86 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 2.32 2.41 0.00 93 V 9.10 4.48 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 0.88 0.00 0.00 1.00 0.00 0.00 94 V 8.73 5.18 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 0.93 0.00 0.00 1.14 0.00 0.00 95 F 9.20 5.19 0.00 3.13 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 96 T 8.81 5.03 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 1.40 0.00 0.00 97 A 9.72 4.66 0.70 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 98 N 9.50 4.81 0.00 2.70 2.86 0.00 0.00 6.88 8.10 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 99 D 8.34 4.42 0.00 2.74 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 0.00 100 S 7.89 4.30 0.00 4.01 4.02 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 0.00 101 G 7.39 4.15 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 0.00 0.00 0.00 102 P 0.00 5.76 0.00 2.27 2.28 0.00 3.58 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 2.11 2.00 0.00 103 R 8.89 5.38 0.00 1.24 1.85 0.00 3.19 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.84 0.00 104 R 8.78 4.85 0.00 1.66 1.79 0.00 3.24 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 105 Y 9.15 5.01 0.00 2.78 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 0.00 106 T 8.50 5.03 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 1.22 0.00 0.00 107 I 8.80 4.80 1.80 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.90 0.87 0.00 0.00 108 A 8.99 5.21 1.20 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 0.00 0.00 0.00 109 A 8.83 5.07 1.18 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 0.00 0.00 110 L 8.69 5.06 0.00 1.81 1.59 0.97 0.55 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 0.00 111 L 9.18 5.23 0.00 1.99 2.20 0.70 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.89 4.73 0.00 3.76 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.32 0.00 2.25 1.94 0.00 3.26 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.11 0.00 114 Y 7.91 4.48 0.00 2.81 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 0.00 115 S 8.09 4.79 0.00 3.83 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 0.00 116 Y 7.90 5.87 0.00 3.01 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 0.00 117 S 8.94 4.96 0.00 3.82 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 0.00 118 T 8.46 5.21 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 1.25 0.00 0.00 119 T 8.63 4.78 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 1.21 0.00 0.00 120 A 8.68 5.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.42 4.18 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 0.90 0.00 0.00 122 V 8.23 4.45 1.73 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 0.40 0.00 0.00 0.84 0.00 0.00 123 T 8.32 4.59 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 1.16 0.00 0.00 124 N 8.82 4.22 0.00 2.63 2.75 0.00 0.00 7.08 7.69 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 0.00 125 P 0.00 5.43 0.00 2.09 2.03 0.00 3.81 0.00 0.00 4.33 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 * Residues marked with a * may have inaccurate shift predictions.