NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7207 8.1633 120.2778 55.2089 34.1611 173.9673 2 K 4.8329 8.8317 120.8871 53.6574 36.8681 173.3392 3 K 4.8066 9.9326 126.4349 55.2461 34.4689 174.7496 4 I 4.8009 9.0395 129.0345 59.8289 39.2614 174.2161 5 E 5.0067 9.4826 128.8094 54.5068 31.9795 174.1467 6 A 4.9401 8.9989 130.0047 50.1384 21.8950 174.7089 7 I 4.8838 8.6796 124.7574 59.8261 39.2692 175.2012 8 I 4.8588 8.6669 120.1231 58.7207 41.9748 174.8075 9 R 4.3326 8.2396 120.6663 55.3715 30.5353 176.5573 10 P 4.2868 0.0000 0.0000 65.4289 31.5408 178.2805 11 F 4.5280 8.1554 111.2146 58.3730 38.4032 176.5437 12 K 3.9890 7.5460 120.7399 56.4710 32.0007 177.9331 13 L 3.8694 7.4893 122.2767 58.3544 41.8847 178.1784 14 D 4.3153 8.0948 117.0167 57.6125 41.1667 178.0337 15 E 3.9338 8.0828 118.3944 59.3101 29.4365 179.3246 16 V 3.5300 7.8731 118.3267 65.7187 31.5020 177.7366 17 K 3.8342 8.4390 119.6962 59.7721 31.9751 178.6141 18 I 3.6561 7.9703 119.7088 64.3749 36.8259 178.3489 19 A 3.9786 8.1108 121.4720 55.0129 18.1223 179.5066 20 L 3.9485 8.1309 117.7972 58.1389 41.7171 180.0908 21 V 3.7028 7.9979 118.1203 66.1415 31.2814 177.8196 22 N 4.3513 8.4556 115.2416 55.6032 38.3539 176.1400 23 A 4.5214 7.3829 120.1784 51.5028 18.9505 177.6084 24 G 3.7044 8.0212 106.0554 46.4139 0.0000 174.3440 25 I 4.1092 7.8114 121.3297 59.5067 36.6281 175.7301 26 V 4.1282 9.3458 125.9271 62.1951 31.6473 172.9638 27 G 4.0353 7.7295 119.5216 44.8233 0.0000 169.8081 28 M 4.8389 7.7014 121.6225 54.7929 34.0778 174.0259 29 T 4.7170 8.7691 116.5631 61.8283 72.0313 173.3305 30 V 5.1004 8.3633 124.8981 61.4088 34.9018 174.3505 31 S 4.6965 8.8468 119.3393 57.2696 66.7736 172.3296 32 E 4.7920 8.6362 121.9431 55.4730 30.9500 175.2417 33 V 4.6815 8.5957 118.3531 60.0545 36.9254 174.0120 34 R 5.2611 8.3764 118.9399 55.1367 33.7905 175.1499 35 G 4.5082 9.3673 108.8081 45.8867 0.0000 171.5202 36 F 5.2932 8.2133 113.7769 55.2475 41.0108 175.1760 37 G 4.3812 8.5412 109.2147 45.0846 0.0000 174.9737 38 R 4.1001 8.7016 116.7110 58.4963 30.0326 177.4241 39 Q 4.2720 8.1445 116.8307 55.1977 29.2177 175.7974 40 K 3.6567 9.0581 117.2843 57.4896 30.0160 177.0771 41 G 4.2082 8.5192 103.6725 46.4740 0.0000 173.8030 42 Q 4.5639 7.9796 119.0777 54.0626 30.0568 175.8920 43 T 4.0644 8.5602 113.8772 62.9258 69.5782 174.4461 44 E 4.3611 8.0315 121.5010 54.3400 30.9033 175.1125 45 R 4.3573 8.0580 123.0328 54.4072 32.3931 175.1095 46 Y 4.7486 7.9871 120.0824 55.4496 40.6950 175.2359 47 R 4.1678 8.4867 122.2110 57.9861 30.5855 176.8477 48 G 4.0240 8.9059 113.8861 45.4980 0.0000 174.5706 49 S 4.4469 8.0722 113.2684 58.6570 63.3500 175.9548 50 E 3.9372 8.2677 123.6791 59.7545 29.2928 177.6900 *51 Y 4.4319 7.2146 114.2726 56.5677 37.7732 180.2453 52 T 4.4401 7.2686 115.7807 63.7241 69.8480 174.6169 53 V 4.2163 7.7267 122.2254 61.4542 34.8118 173.5834 54 E 4.7430 8.8327 126.3039 54.5513 32.9987 174.7610 55 F 5.2691 8.7975 120.8342 56.2829 40.8474 175.2480 56 L 4.9451 9.0216 122.8438 52.7490 44.9273 175.5791 57 Q 4.6796 8.6496 122.8438 56.3710 30.0338 175.0063 58 K 4.8504 9.0701 124.1483 54.9449 37.6080 174.5862 59 L 5.1852 8.7328 120.1738 52.9989 45.0242 175.8817 60 K 4.8543 9.1316 125.2616 54.9745 33.9976 174.7278 61 L 5.2413 8.9595 128.1420 53.0747 44.3500 175.2664 62 E 5.1763 9.2864 123.0451 54.6362 32.9887 175.2130 63 I 4.7626 8.8355 124.7626 59.7960 41.4979 174.1252 64 V 4.6747 8.4966 127.4628 61.6824 32.7961 175.1207 65 V 4.6613 8.4497 119.8801 59.3387 36.8186 174.8825 66 E 4.4216 8.9239 120.9016 56.1708 30.0037 178.1655 67 D 4.3947 8.8651 120.8445 57.9095 40.5655 179.3231 68 A 4.0845 7.9171 119.5144 54.5433 18.8207 178.5537 69 Q 4.2590 8.1079 115.0478 56.4574 29.0588 178.0619 70 V 3.5774 7.5048 120.7850 66.1773 31.5626 177.4936 71 D 4.3497 8.0602 118.0513 57.6079 40.6814 178.7087 72 T 3.8237 7.8537 115.6637 66.6019 68.5172 176.5049 73 V 3.5291 7.7621 119.8547 66.1283 31.5047 177.8283 74 I 3.6353 7.7949 119.4642 64.6169 36.9643 177.9201 75 D 4.3528 8.2151 119.4916 57.5014 40.7236 179.2992 76 K 3.9744 8.0237 118.6891 59.4773 32.0315 179.5867 77 I 3.6707 7.6807 120.1219 64.3139 37.0330 178.7317 78 V 3.5135 8.0796 119.1520 65.9665 31.1650 177.9981 79 A 3.9813 7.9350 119.1913 55.0320 18.2647 179.1451 80 A 4.0518 7.9476 118.3031 54.8535 18.6280 179.1918 81 A 4.0790 8.1564 118.6753 53.0921 19.1458 178.2831 82 R 4.0129 7.5405 118.4320 56.9477 30.3952 176.1885 83 T 4.3828 9.6752 114.9384 61.1909 70.2999 175.4196 84 G 3.9761 8.8739 109.9724 45.0117 0.0000 172.8058 85 E 4.7501 7.8013 119.0612 53.6616 32.1287 175.5433 86 I 3.7609 8.1013 114.6109 62.9834 37.0708 176.1859 87 G 3.9858 8.9265 110.3395 45.7699 0.0000 174.9752 88 D 4.3245 7.3882 120.7732 55.9693 40.9019 175.9976 89 G 4.0680 5.8149 100.6657 43.5097 0.0000 172.2398 90 K 4.4424 8.3347 119.6371 55.0107 35.8976 174.6279 91 I 4.7062 7.8321 126.2115 59.3225 40.2938 174.7126 92 F 5.0201 9.3138 125.1352 55.6750 41.9705 174.1566 93 V 5.0187 8.6334 123.7296 61.2551 33.2694 174.7688 94 S 4.9337 8.8943 121.3785 55.7853 66.8846 171.5194 95 P 4.7286 0.0000 0.0000 62.8275 32.2177 175.5534 96 V 4.3422 8.0669 121.5355 61.5083 33.1599 175.3135 97 D 4.5549 8.9927 127.9802 56.9455 41.2004 176.7646 98 Q 4.8340 7.6516 114.7991 54.5032 32.9710 173.9893 99 T 4.7727 9.2998 117.5405 61.8501 72.3944 173.0359 100 I 4.9924 8.2592 125.2723 59.4812 40.8168 174.7055 101 R 4.2418 8.8324 127.8429 55.5023 29.3097 177.3954 102 I 3.7469 8.5432 127.6482 64.3444 37.6219 178.2394 103 R 4.2004 8.1270 119.6423 58.6510 29.9807 176.8609 104 T 4.3802 7.2961 104.8430 60.3869 70.4866 175.1591 105 G 3.8917 8.5657 109.7879 45.6119 0.0000 173.5425 106 E 4.2272 7.7190 119.2062 56.0417 30.1095 175.8804 107 K 5.0452 7.8124 120.2546 56.0801 36.7578 175.7454 108 N 3.9911 9.0849 123.4591 54.2480 38.4422 176.1987 109 A 4.9450 8.8664 131.1928 56.6353 17.9923 179.5767 110 D 4.3185 8.1378 114.6107 56.5283 41.0195 177.6631 111 A 4.4953 7.9265 119.4722 52.2201 19.3325 177.2943 112 I 4.2277 7.5678 119.5952 62.6732 39.8103 176.4622 113 S 4.3318 8.1394 120.4931 58.6173 62.0054 176.8800 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 M 8.16 4.72 0.00 1.99 2.21 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 2 K 8.83 4.83 0.00 1.62 1.65 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.60 7.81 3 K 9.93 4.81 0.00 1.79 1.68 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.42 7.81 4 I 9.04 4.80 1.97 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 1.11 0.55 0.89 0.00 0.00 5 E 9.48 5.01 0.00 2.05 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 2.38 2.30 0.00 6 A 9.00 4.94 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 7 I 8.68 4.88 1.84 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.00 0.93 0.00 0.00 8 I 8.67 4.86 1.76 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.77 0.83 0.00 0.00 9 R 8.24 4.33 0.00 1.58 1.85 0.00 3.14 0.00 0.00 3.54 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.61 0.00 10 P 0.00 4.29 0.00 2.26 2.15 0.00 3.68 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 2.36 2.11 0.00 11 F 8.16 4.53 0.00 3.11 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 12 K 7.55 3.99 0.00 1.63 1.64 0.00 1.67 0.00 0.00 1.06 0.00 0.00 2.60 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.30 1.31 7.81 13 L 7.49 3.87 0.00 1.69 1.68 0.91 1.47 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 14 D 8.09 4.32 0.00 2.85 2.68 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 15 E 8.08 3.93 0.00 2.00 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 2.41 2.38 0.00 16 V 7.87 3.53 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 1.05 0.00 0.00 0.88 0.00 0.00 17 K 8.44 3.83 0.00 1.92 2.00 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 18 I 7.97 3.66 1.87 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 1.46 0.65 0.91 0.00 0.00 19 A 8.11 3.98 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 20 L 8.13 3.95 0.00 1.80 1.73 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.00 3.70 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 1.10 0.00 0.00 0.98 0.00 0.00 22 N 8.46 4.35 0.00 2.77 2.87 0.00 0.00 7.00 6.89 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 23 A 7.38 4.52 1.33 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 0.00 0.00 0.00 24 G 8.02 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 25 I 7.81 4.11 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 1.27 0.92 0.90 0.00 0.00 26 V 9.35 4.13 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 0.82 0.00 0.00 0.93 0.00 0.00 27 G 7.73 4.04 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 0.00 0.00 0.00 28 M 7.70 4.84 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 29 T 8.77 4.72 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 30 V 8.36 5.10 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 0.84 0.00 0.00 0.93 0.00 0.00 31 S 8.85 4.70 0.00 3.90 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 32 E 8.64 4.79 0.00 2.00 1.88 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 2.25 2.34 0.00 33 V 8.60 4.68 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 0.77 0.00 0.00 0.96 0.00 0.00 34 R 8.38 5.26 0.00 1.52 1.85 0.00 3.17 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 35 G 9.37 4.51 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 0.00 0.00 0.00 36 F 8.21 5.29 0.00 2.92 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 37 G 8.54 4.38 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 0.00 38 R 8.70 4.10 0.00 1.96 2.12 0.00 3.04 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 39 Q 8.14 4.27 0.00 2.19 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.46 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 40 K 9.06 3.66 0.00 1.85 1.68 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.05 1.32 7.81 41 G 8.52 4.21 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 0.00 42 Q 7.98 4.56 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 43 T 8.56 4.06 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 1.22 0.00 0.00 44 E 8.03 4.36 0.00 1.95 1.61 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 2.19 2.30 0.00 45 R 8.06 4.36 0.00 1.61 1.72 0.00 3.11 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00 46 Y 7.99 4.75 0.00 3.09 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 47 R 8.49 4.17 0.00 1.80 1.89 0.00 3.23 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 48 G 8.91 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 0.00 0.00 0.00 49 S 8.07 4.45 0.00 4.08 4.21 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 50 E 8.27 3.94 0.00 1.94 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 2.30 2.35 0.00 *51 Y 7.21 4.43 0.00 2.44 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 0.00 0.00 0.00 52 T 7.27 4.44 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 1.17 0.00 0.00 53 V 7.73 4.22 1.55 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 -0.79 0.00 0.00 0.54 0.00 0.00 54 E 8.83 4.74 0.00 1.82 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 2.13 2.35 0.00 55 F 8.80 5.27 0.00 3.05 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 56 L 9.02 4.95 0.00 1.64 1.62 0.97 0.68 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 57 Q 8.65 4.68 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 58 K 9.07 4.85 0.00 1.70 1.79 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.59 7.81 59 L 8.73 5.19 0.00 1.55 1.52 0.98 0.84 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 60 K 9.13 4.85 0.00 1.81 1.81 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.37 1.44 7.81 61 L 8.96 5.24 0.00 1.62 1.53 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 62 E 9.29 5.18 0.00 1.85 1.82 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 2.23 2.26 0.00 63 I 8.84 4.76 1.87 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 1.11 0.83 0.97 0.00 0.00 64 V 8.50 4.67 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 0.79 0.00 0.00 0.93 0.00 0.00 65 V 8.45 4.66 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 0.67 0.00 0.00 0.93 0.00 0.00 66 E 8.92 4.42 0.00 2.02 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 2.40 2.42 0.00 67 D 8.87 4.39 0.00 2.76 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.92 4.08 1.29 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 0.00 0.00 69 Q 8.11 4.26 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 70 V 7.50 3.58 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 1.03 0.00 0.00 0.96 0.00 0.00 71 D 8.06 4.35 0.00 2.72 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 72 T 7.85 3.82 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 1.20 0.00 0.00 73 V 7.76 3.53 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 1.02 0.00 0.00 0.99 0.00 0.00 74 I 7.79 3.64 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.63 0.88 0.00 0.00 75 D 8.22 4.35 0.00 2.84 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 76 K 8.02 3.97 0.00 1.90 1.83 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.61 7.81 77 I 7.68 3.67 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.68 0.85 0.00 0.00 78 V 8.08 3.51 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 0.98 0.00 0.00 0.91 0.00 0.00 79 A 7.93 3.98 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 80 A 7.95 4.05 1.33 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 0.00 0.00 0.00 81 A 8.16 4.08 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 R 7.54 4.01 0.00 1.86 1.87 0.00 3.21 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 83 T 9.68 4.38 4.32 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 1.34 0.00 0.00 84 G 8.87 3.98 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 0.00 85 E 7.80 4.75 0.00 1.98 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 2.25 2.38 0.00 86 I 8.10 3.76 2.03 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 1.35 0.53 0.91 0.00 0.00 87 G 8.93 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 88 D 7.39 4.32 0.00 2.67 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 89 G 5.81 4.07 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 0.00 0.00 0.00 90 K 8.33 4.44 0.00 1.69 1.20 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.56 1.15 7.81 91 I 7.83 4.71 1.71 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.64 0.83 0.00 0.00 92 F 9.31 5.02 0.00 2.89 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 93 V 8.63 5.02 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 0.84 0.00 0.00 0.94 0.00 0.00 94 S 8.89 4.93 0.00 3.89 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 95 P 0.00 4.73 0.00 2.10 2.09 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 96 V 8.07 4.34 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 0.83 0.00 0.00 0.96 0.00 0.00 97 D 8.99 4.55 0.00 2.71 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 98 Q 7.65 4.83 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 99 T 9.30 4.77 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 0.00 100 I 8.26 4.99 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 1.23 0.60 0.91 0.00 0.00 101 R 8.83 4.24 0.00 1.88 1.79 0.00 3.26 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 1.59 1.60 0.00 102 I 8.54 3.75 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 1.30 0.68 0.91 0.00 0.00 103 R 8.13 4.20 0.00 1.76 1.96 0.00 3.17 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 104 T 7.30 4.38 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 1.24 0.00 0.00 105 G 8.57 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 0.00 106 E 7.72 4.23 0.00 2.02 1.88 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 2.33 2.24 0.00 107 K 7.81 5.05 0.00 1.64 1.60 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.52 7.81 108 N 9.08 3.99 0.00 2.90 1.86 0.00 0.00 6.76 6.80 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 0.00 109 A 8.87 4.95 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 0.00 110 D 8.14 4.32 0.00 2.64 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 0.00 111 A 7.93 4.50 1.33 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 0.00 0.00 0.00 112 I 7.57 4.23 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 1.27 0.71 0.97 0.00 0.00 113 S 8.14 4.33 0.00 3.62 3.67 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 * Residues marked with a * may have inaccurate shift predictions.