NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.1570 8.4401 118.7737 55.5390 31.7290 176.1716 4 A 3.9166 7.3941 121.7391 51.6922 20.2394 177.4828 5 K 3.9326 8.4512 121.6917 59.3863 32.6359 178.3068 6 W 4.3446 8.1095 116.4827 59.3669 28.3119 178.3997 7 L 3.5674 6.8958 119.4870 57.3995 41.1614 179.0907 8 S 4.0320 7.7544 112.7091 61.3629 62.3482 175.9974 9 L 4.1361 8.1814 123.0956 58.0397 41.7766 178.5716 10 L 4.1194 8.3722 120.6319 58.0792 41.9512 179.1630 11 G 3.7352 8.0449 105.4023 47.5737 0.0000 175.6679 12 L 4.0345 7.9596 120.8235 57.3569 41.5376 179.4517 13 A 2.8971 8.0408 120.5935 54.6252 18.1693 179.5275 14 A 3.8105 8.0234 119.3646 55.1796 18.2291 179.5378 15 R 3.8092 7.8516 116.0021 59.6382 30.1899 177.7509 16 A 4.2653 7.6973 116.5901 51.3583 18.7782 177.0648 17 R 3.7400 7.7126 115.5571 57.9191 28.3896 176.6839 18 Q 4.5911 8.1835 113.5541 55.5653 30.0237 175.4439 19 L 5.2754 7.7648 118.0693 52.9021 45.1442 175.7642 20 L 5.0182 8.8472 121.5792 53.2044 45.2632 175.5798 21 T 5.0268 8.5281 110.4869 60.3994 72.4948 173.9202 22 G 3.9005 8.8504 109.7442 45.9628 0.0000 173.9694 23 E 3.8924 9.0843 124.4116 59.6714 29.6227 179.2046 24 E 3.9705 8.0705 117.8112 59.3337 29.6268 178.9546 25 Q 3.9386 7.9827 119.2066 59.1623 29.1022 178.3918 26 V 3.5532 8.0974 119.6077 65.7645 31.6013 178.0188 27 V 3.5215 7.8561 118.1015 65.9945 31.3532 177.8630 28 K 4.0272 8.0427 118.9518 59.5607 31.9342 178.6054 29 A 4.0820 7.9949 121.0589 54.9408 18.2515 179.6846 30 V 3.3251 7.9413 117.1162 66.3717 31.3737 178.4280 31 Q 3.3213 7.6275 116.0703 58.1946 28.5338 177.4522 32 N 4.7395 7.6755 115.2927 52.2911 38.7371 175.2938 33 G 3.8833 7.5103 108.0877 46.8116 0.0000 174.8587 34 Q 4.3671 8.2062 118.3994 55.3543 29.5879 175.5979 35 V 4.7978 7.4918 117.7313 61.1888 33.6802 174.6947 36 T 4.6174 8.7253 115.7056 61.4392 70.4830 173.2887 37 L 4.7148 7.5989 123.5258 54.1528 45.8688 173.4886 38 V 4.8372 8.7318 125.7672 61.1679 34.3247 173.9936 39 I 4.7904 8.8397 128.9057 59.5878 39.5080 174.3802 40 L 5.1239 9.0270 127.5498 52.5123 44.4904 176.1508 41 S 4.6289 9.0187 119.0822 58.4901 62.9270 175.4369 42 S 4.2103 8.4924 122.5297 61.7212 62.7739 175.7096 43 D 4.4536 8.0305 118.6518 55.8616 40.9175 176.7964 44 A 4.0609 7.6646 122.2418 52.0760 18.9655 178.2169 45 G 3.8287 8.5450 107.6412 44.8532 0.0000 174.7916 46 I 3.6467 8.2695 121.7981 64.2027 37.9533 178.1996 47 H 4.2529 8.0455 116.7787 58.8876 28.6093 177.7083 48 T 3.8746 7.8777 117.1866 66.4692 68.2972 176.5477 49 K 3.9337 8.2461 120.5295 59.4384 32.1227 179.3565 50 K 3.8981 8.2881 118.8771 59.3759 31.9526 179.1286 51 K 3.8884 8.2249 119.7897 59.6355 32.1328 178.7443 52 L 3.9889 7.9965 119.0281 57.8937 41.5591 179.5878 53 L 4.0854 8.1974 119.1057 57.6917 41.5319 179.3310 54 D 4.3103 8.5897 119.2403 57.3371 40.9167 178.9615 55 K 4.0517 8.2568 118.9185 59.9608 32.1005 179.4238 56 C 4.4389 8.7512 117.4496 62.4240 27.8953 176.2962 57 G 3.7001 8.1296 107.6482 48.1032 0.0000 175.8436 58 S 4.0880 7.8086 116.4496 61.1481 62.9612 175.6785 59 Y 4.2548 7.8106 115.6282 57.1236 38.5354 175.1806 60 Q 3.4795 7.6396 117.8063 57.0769 26.8931 173.6363 61 I 4.5842 7.9960 118.1387 58.7192 39.0903 175.4230 62 P 4.4166 0.0000 0.0000 63.0606 32.4984 175.2214 63 V 4.8764 8.2784 121.4017 61.1354 34.1616 174.4382 64 K 4.5503 9.0089 127.2515 54.5289 35.0190 175.3629 65 V 4.6788 8.2521 124.0750 61.5692 32.7512 174.8884 66 V 4.3434 8.7080 120.8145 60.4761 36.2753 176.1714 67 G 4.0034 9.0744 110.1092 46.3966 0.0000 171.7207 68 N 5.1086 8.4319 119.3744 51.0709 40.8382 174.8573 69 R 4.6933 8.7060 113.6721 58.8044 29.7500 178.8768 70 Q 4.0745 7.9851 115.1063 56.8997 28.2686 177.6940 *72 L 4.2796 8.1037 120.2083 54.9322 43.8472 179.2998 73 G 3.7442 8.2090 107.3471 48.7375 0.0000 175.3802 74 R 3.8652 8.3958 121.1208 58.9368 30.2280 178.2888 75 A 3.9102 8.1528 120.3024 54.5528 18.3746 178.4455 76 I 4.3216 7.3504 105.4750 60.4712 37.6919 175.9740 77 G 3.7971 8.2559 107.7623 46.7429 0.0000 173.4888 78 K 4.5880 8.1171 118.5088 54.2670 35.4975 176.3908 79 H 4.5555 8.5040 116.1055 58.2389 28.9867 175.8372 80 E 5.0154 7.7916 116.5251 54.7794 33.6582 175.2033 81 R 4.7522 8.3757 120.4733 54.7020 34.3348 175.8790 82 V 4.2046 8.4073 113.2000 61.7791 34.7738 175.7405 83 V 4.7820 7.7149 120.0985 61.0051 34.4373 174.4287 84 I 4.9866 8.9198 128.7081 59.4098 40.5476 174.5977 85 G 4.3625 9.1614 114.3521 44.3964 0.0000 172.1378 86 V 4.6761 8.7580 125.3803 61.5781 32.8070 176.2364 87 K 4.8813 9.1357 127.0053 55.9296 33.1129 176.0226 88 D 4.8736 7.8332 120.6208 51.8787 43.1394 176.2080 89 A 4.2172 8.3270 130.2936 54.5628 18.3534 179.5202 90 G 3.4941 8.1656 103.6784 48.0526 0.0000 175.7441 91 F 4.0638 8.7374 120.8343 60.2266 38.9382 177.8746 92 S 4.1960 8.5470 115.0232 61.6870 62.6497 176.9576 93 R 3.9015 8.1559 120.6230 59.2518 29.8680 179.1151 94 K 3.9494 7.9966 119.2398 59.4484 32.1465 178.7742 95 L 4.0755 8.4931 119.5246 57.7991 41.5411 179.3905 96 A 3.8769 8.1119 120.4101 55.0851 18.4279 179.4913 97 A 3.9586 8.1324 119.2938 55.2865 18.2086 179.9367 98 L 4.0057 7.8840 116.4568 58.0611 41.8290 179.4783 99 I 3.5674 7.5929 118.6847 64.2900 37.0972 177.7734 100 D 4.4889 8.2607 117.7704 55.6571 40.8673 176.6483 101 E 4.2590 7.7341 124.4309 56.4060 29.8404 175.6105 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 E 8.44 4.16 0.00 2.04 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 2.13 2.27 0.00 4 A 7.39 3.92 0.96 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 5 K 8.45 3.93 0.00 1.89 1.94 0.00 1.71 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.52 7.81 6 W 8.11 4.34 0.00 3.61 3.34 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 7 L 6.90 3.57 0.00 1.39 1.40 0.44 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.75 4.03 0.00 3.88 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 9 L 8.18 4.14 0.00 2.02 1.83 0.99 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.37 4.12 0.00 2.20 1.89 1.02 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.04 3.74 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 0.00 0.00 0.00 12 L 7.96 4.03 0.00 2.17 1.95 1.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.04 2.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.02 3.81 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 15 R 7.85 3.81 0.00 1.92 2.20 0.00 3.28 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 16 A 7.70 4.27 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 17 R 7.71 3.74 0.00 1.94 1.99 0.00 3.13 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 18 Q 8.18 4.59 0.00 1.71 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.47 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 19 L 7.76 5.28 0.00 1.42 1.49 0.92 0.87 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 20 L 8.85 5.02 0.00 1.52 1.50 0.89 0.83 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 21 T 8.53 5.03 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 1.20 0.00 0.00 22 G 8.85 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 23 E 9.08 3.89 0.00 2.05 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 0.00 2.39 2.42 0.00 24 E 8.07 3.97 0.00 2.01 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 0.00 2.40 2.30 0.00 25 Q 7.98 3.94 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 26 V 8.10 3.55 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 1.01 0.00 0.00 0.99 0.00 0.00 27 V 7.86 3.52 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 0.94 0.00 0.00 1.00 0.00 0.00 28 K 8.04 4.03 0.00 1.96 1.92 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.44 7.81 29 A 7.99 4.08 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 30 V 7.94 3.33 2.06 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 0.65 0.00 0.00 0.88 0.00 0.00 31 Q 7.63 3.32 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 32 N 7.68 4.74 0.00 2.75 2.80 0.00 0.00 6.99 7.68 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 33 G 7.51 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 0.00 0.00 0.00 34 Q 8.21 4.37 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 35 V 7.49 4.80 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 0.88 0.00 0.00 0.89 0.00 0.00 36 T 8.73 4.62 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 1.22 0.00 0.00 37 L 7.60 4.71 0.00 1.76 1.50 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.73 4.84 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 1.04 0.00 0.00 0.91 0.00 0.00 39 I 8.84 4.79 1.89 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 1.10 0.50 0.88 0.00 0.00 40 L 9.03 5.12 0.00 1.63 1.54 0.91 0.85 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 S 9.02 4.63 0.00 3.92 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 42 S 8.49 4.21 0.00 4.05 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 43 D 8.03 4.45 0.00 2.71 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 44 A 7.66 4.06 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 45 G 8.55 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 46 I 8.27 3.65 1.82 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 1.58 1.40 0.73 0.00 0.00 47 H 8.05 4.25 0.00 3.29 3.34 0.00 5.87 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 48 T 7.88 3.87 4.42 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 1.22 0.00 0.00 49 K 8.25 3.93 0.00 1.95 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.61 7.81 50 K 8.29 3.90 0.00 1.95 1.88 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.63 7.81 51 K 8.22 3.89 0.00 1.93 1.96 0.00 1.65 0.00 0.00 1.97 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 52 L 8.00 3.99 0.00 1.83 1.70 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.20 4.09 0.00 1.77 1.72 0.91 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.59 4.31 0.00 2.90 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 55 K 8.26 4.05 0.00 1.81 1.97 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.62 1.67 7.81 56 C 8.75 4.44 0.00 3.02 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 57 G 8.13 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 58 S 7.81 4.09 0.00 3.95 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 59 Y 7.81 4.25 0.00 2.98 2.99 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 60 Q 7.64 3.48 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.62 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 61 I 8.00 4.58 1.91 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 1.38 0.82 0.91 0.00 0.00 62 P 0.00 4.42 0.00 2.09 2.17 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.97 0.00 63 V 8.28 4.88 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 0.82 0.00 0.00 0.99 0.00 0.00 64 K 9.01 4.55 0.00 1.49 1.46 0.00 1.57 0.00 0.00 1.49 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 1.31 7.81 65 V 8.25 4.68 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 0.80 0.00 0.00 0.91 0.00 0.00 66 V 8.71 4.34 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 0.55 0.00 0.00 0.47 0.00 0.00 67 G 9.07 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 68 N 8.43 5.11 0.00 3.07 2.81 0.00 0.00 5.89 7.66 0.00 0.00 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 R 8.71 4.69 0.00 2.16 2.26 0.00 3.06 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.58 0.00 70 Q 7.99 4.07 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.43 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 *72 L 8.10 4.28 0.00 1.90 1.82 1.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.21 3.74 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 0.00 0.00 0.00 74 R 8.40 3.87 0.00 1.89 1.96 0.00 3.09 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 75 A 8.15 3.91 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 76 I 7.35 4.32 1.85 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 1.49 0.77 0.91 0.00 0.00 77 G 8.26 3.80 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 0.00 0.00 0.00 78 K 8.12 4.59 0.00 1.74 1.68 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.48 7.81 79 H 8.50 4.56 0.00 3.14 3.32 0.00 5.67 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.79 5.02 0.00 1.91 1.80 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 2.22 2.34 0.00 81 R 8.38 4.75 0.00 1.79 1.77 0.00 3.25 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 82 V 8.41 4.20 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 0.94 0.00 0.00 83 V 7.71 4.78 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 1.02 0.00 0.00 0.94 0.00 0.00 84 I 8.92 4.99 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.64 0.92 0.00 0.00 85 G 9.16 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 0.00 0.00 0.00 0.00 86 V 8.76 4.68 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 1.13 0.00 0.00 0.95 0.00 0.00 87 K 9.14 4.88 0.00 1.69 1.82 0.00 1.65 0.00 0.00 1.46 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.29 7.81 88 D 7.83 4.87 0.00 3.05 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 89 A 8.33 4.22 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 90 G 8.17 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.74 4.06 0.00 3.25 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 92 S 8.55 4.20 0.00 4.05 3.95 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 93 R 8.16 3.90 0.00 2.00 1.97 0.00 3.12 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 94 K 8.00 3.95 0.00 1.83 1.77 0.00 1.53 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.54 7.81 95 L 8.49 4.08 0.00 1.82 1.76 1.11 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.11 3.88 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 97 A 8.13 3.96 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 98 L 7.88 4.01 0.00 1.91 1.93 1.08 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 99 I 7.59 3.57 1.61 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 -0.15 0.59 0.00 0.00 100 D 8.26 4.49 0.00 2.64 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 0.00 101 E 7.73 4.26 0.00 2.19 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 0.00 2.33 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.