NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.8953 8.0544 120.2963 61.5937 32.7079 174.6336 2 H 4.3381 8.2567 122.3202 54.7589 30.7171 172.9698 3 W 4.9210 8.7282 125.4985 54.5475 33.0659 175.7663 4 T 4.2549 8.4477 120.2768 63.1076 70.1042 175.6796 5 Q 4.0000 8.5287 123.0151 58.8388 29.0762 178.1389 6 E 3.9086 8.0524 120.3485 59.3531 29.6077 178.3602 7 E 3.9210 8.1153 118.0084 59.0484 29.6079 179.1002 8 R 3.5149 8.0667 119.1582 59.0205 30.0785 178.3303 9 D 4.2129 7.8921 118.8481 57.1365 40.8277 178.1065 10 E 3.8812 8.0971 119.8357 59.5635 29.3594 179.0812 11 I 3.2098 6.9423 119.3602 63.9903 36.4937 178.3522 12 S 4.0400 7.8194 114.0110 61.3347 62.2248 176.4053 13 K 3.8526 8.4625 121.5181 59.7574 31.8722 179.3718 14 T 3.9980 7.7380 116.9614 66.1553 68.2924 176.2518 15 F 4.3077 7.9406 116.5223 58.9801 39.0633 176.3774 16 Q 4.5650 7.5749 118.4130 56.3581 29.9082 175.7947 17 G 4.0908 8.1934 105.4028 45.0711 0.0000 172.6705 18 T 4.5729 7.6218 117.0577 61.5258 71.2050 173.7843 19 D 4.8242 8.2484 124.5035 53.9073 39.0895 176.5274 20 M 3.9899 8.1340 124.6038 57.3815 32.2836 177.4748 21 K 3.8594 8.1326 119.5744 60.1102 32.3090 178.7575 22 T 3.8826 7.9525 115.2467 66.3596 68.4300 176.7397 23 V 3.5083 7.5553 120.0513 66.1850 31.5163 178.3761 24 V 3.6074 8.4581 118.2107 66.0378 31.2880 178.1205 25 T 3.8204 7.9106 115.6484 66.8847 68.3690 176.7234 26 Q 4.0224 8.2022 119.3339 58.4285 28.5708 178.6035 27 A 3.9061 7.9545 122.3632 54.8378 18.2914 179.6990 28 L 3.4733 8.0056 117.6830 58.0385 41.6899 179.5346 29 D 4.5007 7.9393 118.7352 57.1612 40.6623 178.9880 30 R 3.7220 7.8115 119.4035 59.4919 30.0637 178.1325 31 M 3.9441 7.9109 118.1268 58.8451 31.9851 178.2168 32 F 4.4543 7.7147 116.7581 60.1635 39.0371 177.1219 33 K 4.0928 7.4784 118.1834 58.9885 32.2837 178.6319 34 V 3.5650 7.8563 117.7097 64.1165 32.7645 175.6096 35 Y 3.8165 7.3505 117.5295 54.0208 37.8097 173.8199 36 P 4.3201 0.0000 0.0000 65.3996 31.6570 177.5921 37 W 4.3831 8.1920 114.7544 59.5539 27.9206 177.7513 38 T 4.5581 7.5674 110.1013 63.9528 68.1132 176.1550 39 N 4.5009 8.5187 120.5904 56.3534 38.3428 176.8613 40 R 3.8197 7.6113 119.4131 59.8460 30.0492 177.8758 41 Y 4.1585 7.4737 113.9793 59.5068 38.3325 176.3510 42 F 4.6519 8.3413 119.3367 57.3584 39.2212 177.1513 43 Q 4.2764 7.6759 120.1308 53.6586 29.0074 174.3062 *48 F 4.5241 8.1066 122.5169 57.7293 40.7486 175.0981 49 R 4.0511 7.3732 125.4587 53.2881 34.0750 176.4799 50 S 4.2114 8.1509 119.0343 61.3769 62.7104 176.7341 51 S 4.0482 7.8073 117.6975 61.7001 63.0227 176.1005 52 I 3.9991 7.4888 121.5022 64.0071 37.2554 177.7073 53 H 4.2836 8.7409 119.4624 59.0121 29.7266 176.8347 54 A 4.1165 8.5144 123.2451 55.3765 18.0414 179.6122 55 G 3.7264 7.6867 102.4850 48.3314 0.0000 175.8987 56 I 3.7477 7.6752 122.1511 63.8763 36.9988 178.7960 57 V 3.6049 7.6701 118.6594 66.1167 31.4926 178.1688 58 V 3.9141 8.5633 118.5022 65.8614 31.1785 178.2047 59 G 3.6769 8.4191 105.7784 47.7339 0.0000 175.6077 60 A 4.1965 8.0731 123.2245 54.8828 18.4996 179.7906 61 L 4.2672 8.4790 117.9070 57.9812 41.7453 179.4444 62 Q 3.4520 8.5928 120.0419 58.8493 28.6929 178.1167 63 D 4.3221 7.8714 120.0253 57.3947 40.8294 178.6232 64 A 3.8391 8.0590 120.9687 54.6880 17.9958 180.0006 65 V 3.2396 7.1512 116.4025 65.8904 31.7501 177.9260 66 K 4.0344 7.6825 117.0223 58.3214 32.5922 176.2783 67 H 4.8722 7.8019 116.8746 55.2328 30.1028 175.0703 68 M 4.1371 8.2710 120.3106 58.2991 32.1874 176.8361 69 D 4.7499 8.1971 116.9542 57.0402 41.1958 176.2414 70 D 4.7392 7.9497 117.5789 51.6921 41.2996 175.5506 71 V 3.3851 7.7160 122.5945 64.8230 31.9946 176.4987 72 K 3.7852 8.0494 119.5611 60.0097 31.6405 178.2713 73 T 4.0166 7.6562 107.7113 64.0196 69.1167 176.3213 74 L 4.1467 7.3373 121.1758 56.8974 42.2267 177.7637 75 F 5.1566 8.3137 116.6214 57.2388 38.9071 177.1309 76 K 3.8824 7.5711 120.3383 59.8495 31.8293 178.3776 77 D 4.5214 8.0798 118.3948 56.5829 40.8708 178.3407 78 L 3.9607 7.7260 120.7635 58.0730 42.0236 178.5903 79 S 4.2309 8.2203 116.6636 60.8833 62.7416 176.2602 80 K 3.8013 7.7354 120.6561 59.6724 31.7978 178.3968 81 K 3.9084 7.8339 118.9697 60.1874 32.1127 178.5112 82 H 4.1416 8.6150 116.2788 58.7622 28.4095 177.5562 83 A 4.0881 8.9762 124.0189 55.1356 18.1498 179.3443 84 D 4.2888 8.6853 116.8270 56.8002 41.6057 177.9214 85 D 4.4108 7.9839 116.9863 56.4536 41.6524 177.0441 86 L 4.1526 8.0324 117.8227 55.2650 42.2045 176.2987 87 H 4.2929 7.8606 112.8779 56.4471 25.5609 175.1170 88 V 3.4188 8.0373 119.8514 61.4812 31.8964 174.9940 89 D 4.3706 8.1424 126.7307 53.8981 41.3392 175.3926 90 P 4.5927 0.0000 0.0000 65.0586 31.2807 177.0099 91 G 3.9003 8.0102 106.4964 46.4143 0.0000 174.9388 92 S 4.5751 7.8750 115.9612 58.6627 63.3799 175.9126 93 F 4.1873 7.8045 121.4992 60.7228 38.6887 176.7463 94 H 4.6813 8.2371 115.1029 57.5390 28.0122 177.4307 95 L 3.5453 7.4163 122.5512 57.3461 41.3718 179.1118 96 L 3.9210 7.6125 120.6426 58.3504 42.2264 179.0996 97 T 3.2896 7.6736 109.2565 64.6639 68.5376 175.9315 98 D 4.4050 8.4502 122.1361 57.4282 40.7623 178.5664 99 C 4.1325 7.7388 115.9751 62.8072 28.1031 176.2250 100 I 3.6449 7.4941 121.3065 64.1863 36.5596 178.6225 101 I 3.7437 7.6766 120.8820 64.3601 37.0024 178.6014 102 V 3.5143 7.9386 119.2127 65.9493 31.2987 177.9793 103 E 3.9345 8.1948 118.5617 59.2535 29.2742 179.3416 104 L 3.7115 7.7821 118.8178 57.5916 41.4175 179.3735 105 A 2.7845 7.5811 119.7980 54.7174 18.1977 178.7457 106 Y 4.1760 7.5034 117.5619 61.1586 38.7254 176.6877 107 L 3.8155 7.9610 121.6910 57.8269 42.0422 178.3726 108 R 3.9811 8.4190 117.9564 56.6290 30.7323 178.4530 109 K 3.5924 8.1481 119.3321 57.2362 31.9323 177.7545 110 D 4.6034 8.7620 126.3820 56.5134 39.1323 176.5976 111 C 4.4016 8.3004 117.1092 60.6602 28.6644 174.0184 112 F 4.6719 7.7620 124.0656 56.9558 37.8699 175.2218 113 T 4.1875 7.2919 115.1291 60.8408 71.2431 173.3161 114 P 4.2585 0.0000 0.0000 65.9096 31.0749 178.4230 115 H 4.0853 8.1436 116.5268 59.4353 29.9547 177.1209 116 I 3.6019 7.3247 121.2924 64.3546 36.8897 178.1495 117 Q 3.9132 7.8168 120.3945 59.1882 28.9914 178.5643 118 G 3.8557 8.2723 106.7357 47.8553 0.0000 175.7498 119 I 3.6998 7.3745 121.9462 64.2010 37.1473 178.5809 120 W 4.0740 8.0260 119.3097 59.7913 28.8389 178.0677 121 D 4.7167 9.0388 118.5641 57.2112 40.6136 178.4055 122 K 3.9444 8.0957 119.9422 59.3947 32.3226 178.3484 123 F 4.5348 8.5708 121.2099 61.8823 39.1813 177.2534 124 F 4.3933 8.7558 117.5225 60.4120 38.2097 177.3921 125 E 4.0050 8.7500 119.3113 59.0013 29.3553 179.0420 126 V 3.6503 7.7253 118.6054 65.7248 31.4590 178.2400 127 V 3.6234 7.4634 116.9925 65.7847 31.5554 177.8304 128 I 3.8268 8.1581 120.3061 64.0370 36.7952 177.7508 129 D 4.2837 7.8259 117.9987 57.2801 40.9696 177.7718 130 A 4.3340 7.8806 118.0318 53.4452 18.2074 177.3530 131 I 4.2556 7.5714 114.8462 59.3520 40.0654 174.8258 132 S 4.6654 7.7852 115.2548 56.3774 63.3248 174.0678 133 K 4.0367 8.8295 125.6465 56.7760 31.7494 175.7780 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 V 8.05 3.90 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 0.76 0.00 0.00 0.32 0.00 0.00 2 H 8.26 4.34 0.00 3.09 3.11 0.00 5.86 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 W 8.73 4.92 0.00 3.17 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 4 T 8.45 4.25 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 1.29 0.00 0.00 5 Q 8.53 4.00 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 6 E 8.05 3.91 0.00 2.09 1.94 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 2.38 2.41 0.00 7 E 8.12 3.92 0.00 2.32 2.24 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 2.42 2.40 0.00 8 R 8.07 3.51 0.00 1.87 1.95 0.00 3.15 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.35 0.00 9 D 7.89 4.21 0.00 2.92 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 10 E 8.10 3.88 0.00 2.01 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 2.16 2.15 0.00 11 I 6.94 3.21 1.27 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.06 0.00 0.00 12 S 7.82 4.04 0.00 3.95 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 13 K 8.46 3.85 0.00 2.03 1.87 0.00 1.83 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.53 7.81 14 T 7.74 4.00 4.65 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 0.97 0.00 0.00 15 F 7.94 4.31 0.00 3.01 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 16 Q 7.57 4.57 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 17 G 8.19 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 0.00 0.00 0.00 18 T 7.62 4.57 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 1.14 0.00 0.00 19 D 8.25 4.82 0.00 2.77 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 20 M 8.13 3.99 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.38 0.00 21 K 8.13 3.86 0.00 1.84 1.92 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.58 7.81 22 T 7.95 3.88 4.40 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 1.21 0.00 0.00 23 V 7.56 3.51 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 0.88 0.00 0.00 0.87 0.00 0.00 24 V 8.46 3.61 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 1.10 0.00 0.00 1.06 0.00 0.00 25 T 7.91 3.82 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 1.22 0.00 0.00 26 Q 8.20 4.02 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.65 0.00 27 A 7.95 3.91 1.32 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 0.00 0.00 28 L 8.01 3.47 0.00 1.76 1.39 0.99 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 29 D 7.94 4.50 0.00 2.67 2.73 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 30 R 7.81 3.72 0.00 1.92 2.00 0.00 2.99 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 31 M 7.91 3.94 0.00 1.82 1.91 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 2.66 2.49 0.00 32 F 7.71 4.45 0.00 3.15 2.91 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 33 K 7.48 4.09 0.00 1.74 1.87 0.00 1.61 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.37 7.81 34 V 7.86 3.57 0.94 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 0.16 0.00 0.00 0.67 0.00 0.00 35 Y 7.35 3.82 0.00 2.61 1.43 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 36 P 0.00 4.32 0.00 2.25 2.14 0.00 3.40 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 37 W 8.19 4.38 0.00 3.56 3.53 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 38 T 7.57 4.56 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 1.16 0.00 0.00 39 N 8.52 4.50 0.00 2.97 2.83 0.00 0.00 6.46 7.22 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 40 R 7.61 3.82 0.00 1.65 1.65 0.00 3.15 0.00 0.00 3.02 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 41 Y 7.47 4.16 0.00 2.98 2.56 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 42 F 8.34 4.65 0.00 2.43 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 0.00 0.00 0.00 0.00 43 Q 7.68 4.28 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.49 0.00 0.00 0.00 0.00 0.00 2.20 2.40 0.00 *48 F 8.11 4.52 0.00 3.08 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 49 R 7.37 4.05 0.00 1.61 1.55 0.00 3.10 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 50 S 8.15 4.21 0.00 4.05 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 0.00 51 S 7.81 4.05 0.00 3.80 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 52 I 7.49 4.00 1.80 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 1.49 1.42 0.93 0.00 0.00 53 H 8.74 4.28 0.00 3.37 3.44 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.51 4.12 1.46 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 0.00 0.00 55 G 7.69 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 56 I 7.68 3.75 1.92 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 1.45 0.44 0.94 0.00 0.00 57 V 7.67 3.60 2.28 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 1.23 0.00 0.00 1.00 0.00 0.00 58 V 8.56 3.91 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 1.21 0.00 0.00 1.11 0.00 0.00 59 G 8.42 3.68 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 0.00 60 A 8.07 4.20 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 61 L 8.48 4.27 0.00 2.01 2.07 1.43 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.59 3.45 0.00 2.32 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 63 D 7.87 4.32 0.00 2.96 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 64 A 8.06 3.84 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 65 V 7.15 3.24 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 0.53 0.00 0.00 0.08 0.00 0.00 66 K 7.68 4.03 0.00 1.89 1.65 0.00 1.63 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.39 7.81 67 H 7.80 4.87 0.00 3.11 3.16 0.00 5.91 0.00 0.00 0.00 0.00 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 M 8.27 4.14 0.00 1.29 1.70 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.83 0.00 69 D 8.20 4.75 0.00 2.74 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 70 D 7.95 4.74 0.00 2.69 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 71 V 7.72 3.39 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 -0.12 0.00 0.00 0.86 0.00 0.00 72 K 8.05 3.79 0.00 1.87 2.03 0.00 1.64 0.00 0.00 1.87 0.00 0.00 3.16 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.59 7.81 73 T 7.66 4.02 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 1.29 0.00 0.00 74 L 7.34 4.15 0.00 1.68 1.57 0.71 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 75 F 8.31 5.16 0.00 3.11 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 76 K 7.57 3.88 0.00 1.96 1.85 0.00 1.52 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.56 7.81 77 D 8.08 4.52 0.00 2.76 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 78 L 7.73 3.96 0.00 1.61 1.36 0.82 0.05 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 79 S 8.22 4.23 0.00 4.05 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 80 K 7.74 3.80 0.00 2.02 1.83 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.54 7.81 81 K 7.83 3.91 0.00 2.00 1.96 0.00 1.55 0.00 0.00 1.61 0.00 0.00 3.12 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.45 7.81 82 H 8.61 4.14 0.00 3.49 3.67 0.00 5.86 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.98 4.09 1.36 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 0.00 0.00 0.00 84 D 8.69 4.29 0.00 2.75 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 85 D 7.98 4.41 0.00 2.57 2.76 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 86 L 8.03 4.15 0.00 1.62 1.60 0.82 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 87 H 7.86 4.29 0.00 3.38 3.48 0.00 5.94 0.00 0.00 0.00 0.00 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.04 3.42 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 -0.50 0.00 0.00 0.39 0.00 0.00 89 D 8.14 4.37 0.00 2.95 2.51 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 0.00 90 P 0.00 4.59 0.00 2.33 2.34 0.00 3.83 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 91 G 8.01 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 0.00 0.00 0.00 92 S 7.87 4.58 0.00 3.55 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 93 F 7.80 4.19 0.00 3.10 3.05 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 94 H 8.24 4.68 0.00 3.45 3.62 0.00 5.82 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.42 3.55 0.00 1.60 1.26 0.86 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.61 3.92 0.00 1.67 1.79 0.84 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 97 T 7.67 3.29 3.33 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 0.99 0.00 0.00 98 D 8.45 4.40 0.00 2.78 2.83 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 99 C 7.74 4.13 0.00 3.14 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 0.00 100 I 7.49 3.64 1.75 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 1.48 0.92 1.03 0.00 0.00 101 I 7.68 3.74 2.12 0.00 0.00 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 1.83 1.17 1.09 0.00 0.00 102 V 7.94 3.51 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 0.93 0.00 0.00 0.92 0.00 0.00 103 E 8.19 3.93 0.00 2.08 1.89 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 2.40 2.63 0.00 104 L 7.78 3.71 0.00 1.48 1.16 -0.11 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.58 2.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 7.50 4.18 0.00 2.97 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 0.00 107 L 7.96 3.82 0.00 1.84 1.55 0.84 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 108 R 8.42 3.98 0.00 2.01 2.09 0.00 3.31 0.00 0.00 3.42 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 109 K 8.15 3.59 0.00 1.85 1.17 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.36 7.81 110 D 8.76 4.60 0.00 2.81 2.83 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 0.00 111 C 8.30 4.40 0.00 3.27 3.09 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 0.00 112 F 7.76 4.67 0.00 3.02 3.09 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 0.00 113 T 7.29 4.19 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 1.24 0.00 0.00 114 P 0.00 4.26 0.00 2.20 2.19 0.00 3.62 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 2.15 2.19 0.00 115 H 8.14 4.09 0.00 3.17 3.28 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 I 7.32 3.60 1.52 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.20 0.89 0.00 0.00 117 Q 7.82 3.91 0.00 1.96 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.52 2.70 0.00 118 G 8.27 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 0.00 119 I 7.37 3.70 1.88 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 1.43 0.66 0.57 0.00 0.00 120 W 8.03 4.07 0.00 3.81 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 0.00 121 D 9.04 4.72 0.00 2.99 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 0.00 122 K 8.10 3.94 0.00 2.10 2.07 0.00 1.50 0.00 0.00 1.12 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.26 1.31 7.81 123 F 8.57 4.53 0.00 2.97 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 0.00 124 F 8.76 4.39 0.00 3.44 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 0.00 125 E 8.75 4.00 0.00 2.43 1.98 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 2.34 2.38 0.00 126 V 7.73 3.65 2.33 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 0.98 0.00 0.00 0.87 0.00 0.00 127 V 7.46 3.62 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 1.13 0.00 0.00 0.28 0.00 0.00 128 I 8.16 3.83 2.07 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 1.50 0.70 0.97 0.00 0.00 129 D 7.83 4.28 0.00 2.92 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 0.00 130 A 7.88 4.33 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 0.00 131 I 7.57 4.26 1.78 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 2.09 -0.20 0.00 0.00 132 S 7.79 4.67 0.00 4.07 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 0.00 133 K 8.83 4.04 0.00 1.75 1.82 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.56 7.81 * Residues marked with a * may have inaccurate shift predictions.