NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 5.4935 8.3716 117.8882 53.3279 40.5641 172.4659 3 L 4.0655 8.4569 122.9140 52.8683 42.1783 175.2668 4 P 5.0779 0.0000 0.0000 62.3769 32.7002 176.3803 5 T 4.1519 8.4951 111.6725 61.0435 71.0083 175.2519 6 A 3.9011 8.4416 122.0912 55.5349 18.2696 179.6746 7 Q 3.9246 8.0194 115.8688 59.2754 28.7490 178.9406 8 E 3.8986 8.0985 119.4953 59.1775 29.3518 179.5214 9 V 3.0758 7.9823 118.7633 65.8640 31.5675 178.0255 10 Q 4.0560 8.1611 117.8974 59.0092 28.5200 179.2231 11 G 3.5728 8.0723 106.5760 47.7113 0.0000 175.8013 12 L 3.9504 8.0074 121.7048 57.9028 41.7483 179.5989 13 M 4.1678 8.4050 118.6884 58.1416 31.8655 178.7071 14 A 4.0391 8.1373 121.2482 54.9669 18.4152 179.6447 15 R 3.8099 8.2630 117.5186 59.5782 30.0879 177.9138 16 Y 4.0308 8.2073 119.4526 61.0765 38.6990 178.4682 17 I 3.4921 7.7700 120.1251 64.2243 37.0981 178.3154 18 E 3.9131 8.0910 119.5958 59.3273 29.2146 179.4212 19 L 3.8868 8.0591 119.3415 57.6157 41.4335 179.6544 20 V 3.3607 7.4283 117.6124 65.9461 31.4851 177.1725 21 D 4.4155 8.0468 116.9873 57.2753 41.1097 178.1176 22 V 3.9790 7.6961 111.3730 61.5049 31.8775 176.9040 23 G 3.7649 8.0693 106.3350 46.3465 0.0000 174.4769 24 D 4.5632 7.7375 120.6170 52.2498 39.9005 175.6008 25 I 3.6245 7.9520 126.1647 64.2090 37.4473 177.4617 26 E 3.9589 8.1443 118.4797 59.2340 29.1113 179.1373 27 A 4.0119 8.1600 120.2056 54.9947 18.7241 179.4897 28 I 3.7202 7.9597 118.7028 64.5945 37.1979 178.8325 29 V 3.8241 8.0653 119.3161 66.1049 31.0810 177.7839 30 Q 4.1119 7.9998 118.3963 59.0832 29.1405 177.7582 31 M 4.2074 8.1564 119.5634 56.8979 31.9925 175.8783 32 Y 4.5959 7.2973 116.1798 56.4898 39.4427 175.3285 33 A 4.3162 8.7588 126.3368 51.9009 19.3650 178.7214 34 D 4.4839 8.8119 119.3561 55.6203 39.5642 177.4603 35 D 4.6245 7.7798 117.8714 52.4311 40.0421 175.9080 36 A 4.5152 7.8705 121.5363 53.3718 19.8771 177.4061 37 T 5.0339 8.6108 109.1647 59.8287 72.2335 173.2240 38 V 4.7447 8.4132 122.6806 61.1818 34.9441 173.9860 39 E 4.6358 9.4188 127.6328 54.8845 31.6786 175.1762 40 N 5.1401 8.2973 124.8171 51.6362 40.8569 172.0290 41 P 4.4761 0.0000 0.0000 61.7605 33.0453 175.4965 42 F 4.0470 8.8321 125.3084 59.6098 39.1028 174.8543 43 G 3.5870 7.8045 112.8360 45.4012 0.0000 173.6572 44 Q 4.4706 7.0500 117.9755 53.0312 30.8475 173.7753 45 P 4.2306 0.0000 0.0000 62.1019 31.8885 174.8892 46 P 4.7315 0.0000 0.0000 62.6825 32.6556 175.2955 47 I 4.5436 8.3563 114.4662 59.7326 40.1916 173.9628 48 H 5.0924 9.2013 123.5783 55.6915 32.4189 174.2248 49 G 4.0503 9.0528 110.8376 45.7061 0.0000 174.5427 50 R 3.8774 8.4316 118.8627 58.8210 29.9331 179.3266 51 E 3.9325 8.1071 118.8413 59.5178 29.7144 178.8132 52 Q 4.0612 8.0018 117.5737 58.8636 28.8175 178.5882 53 I 3.6335 8.0083 120.9294 64.2613 37.1177 178.2502 54 A 4.1523 8.6358 121.8589 55.0970 18.1984 179.5720 55 A 3.9583 8.1946 119.2749 55.1876 18.4509 179.4406 56 F 4.0334 8.4341 119.3367 61.9797 39.3515 177.0956 57 Y 3.8492 8.3594 116.1427 60.7897 37.4075 178.2287 58 R 3.7979 8.4173 119.5788 59.4498 30.2270 178.3926 59 Q 4.1643 7.9288 117.1695 58.9114 28.8321 178.5495 60 G 3.4545 7.7771 105.6437 45.5105 0.0000 173.8490 61 L 4.5331 7.8859 120.7605 52.2573 44.1386 175.8873 *65 K 4.0168 8.4653 123.1998 56.2045 32.8578 174.7711 66 V 4.8363 8.2464 125.2974 61.0293 34.7521 174.4364 67 R 5.0386 8.9517 122.3476 54.4400 32.9084 174.2068 68 A 5.3963 9.4486 122.1062 50.5971 22.2801 175.3898 69 C 4.9013 9.1971 116.1985 56.0151 33.4565 173.6754 70 L 4.6662 8.8142 121.7646 55.2113 41.8592 177.0063 71 T 4.5106 8.3869 112.0969 60.5650 69.0751 173.4640 72 G 3.9702 7.3863 109.7783 44.8521 0.0000 171.5329 73 P 4.4345 0.0000 0.0000 62.1699 31.8747 176.3123 74 V 3.8915 8.1814 120.1256 63.2521 32.4489 175.3657 75 R 4.5654 9.2423 127.2786 54.9037 31.3383 175.1724 76 A 5.2423 8.5924 125.8800 50.1966 21.9120 175.5446 77 S 4.5545 8.6657 115.4477 57.0334 65.8058 173.7643 78 H 4.9037 8.5767 114.4481 55.6477 28.4958 174.9424 79 N 4.9975 8.0699 116.8323 52.8060 37.6614 175.0629 80 G 3.9522 8.6864 104.2321 47.2265 0.0000 173.0636 81 C 5.5055 7.7781 115.6722 58.0179 32.6096 172.9529 82 G 4.5996 8.9280 106.5681 45.5714 0.0000 171.6249 83 A 5.5772 9.2327 121.3291 50.4654 23.0130 175.1932 84 M 5.2193 9.1957 117.3248 53.3656 35.3492 171.8595 85 P 5.5135 0.0000 0.0000 61.7531 34.0684 174.1355 86 F 5.5124 8.8731 116.8380 56.0859 42.2531 172.5231 87 R 4.9610 9.3421 119.0510 54.4614 33.2884 173.8765 88 V 4.9433 8.8005 125.9663 61.1792 34.3325 173.8205 89 E 5.2583 9.2998 127.7102 54.9492 32.3916 175.1555 90 M 5.3348 8.9088 120.5936 54.2000 35.5658 173.2087 91 V 4.8668 8.3638 117.6359 60.9874 34.3353 174.8425 92 W 4.9294 9.0623 135.0000 56.5621 33.1549 174.6159 93 N 4.3216 10.1830 125.1637 54.6795 35.2091 174.8720 94 G 3.8567 8.0026 101.4040 46.0031 0.0000 171.9128 95 Q 4.6845 7.8596 119.9401 52.9033 30.7965 173.4292 96 P 4.8474 0.0000 0.0000 63.8042 31.8400 175.1510 97 C 5.1830 9.6419 116.5386 56.8330 34.0852 172.2679 98 A 5.1853 9.1390 119.8163 50.1124 22.6766 174.8024 99 L 5.0335 8.9531 122.1098 53.3041 45.3173 174.9012 100 D 5.1127 8.6816 126.4032 53.2056 42.0191 176.1599 101 V 4.6908 8.4726 122.6045 61.0956 35.9121 173.8554 102 I 5.1192 8.6743 125.3638 59.7326 40.3377 174.1909 103 D 5.6125 9.2361 126.6520 52.7562 43.5813 175.4191 104 V 4.8856 9.0461 122.7139 61.4714 34.1317 174.2634 105 M 5.1233 9.2043 126.9578 53.3898 36.1672 174.2733 106 R 4.9291 8.6363 122.6948 54.6846 32.5513 174.7471 107 F 5.0413 9.3536 125.8354 56.3228 41.1783 175.7873 108 D 4.8032 8.9412 122.1068 52.0078 41.5989 176.7673 109 E 4.2447 8.5795 115.2020 57.8718 29.5580 177.1098 110 H 4.7851 8.7234 115.9496 55.5395 29.3083 174.7795 111 G 3.9026 8.3421 107.2904 46.2476 0.0000 173.8362 112 R 4.8448 7.9770 117.4889 53.8174 32.5643 175.5107 113 I 3.5863 8.4493 122.8125 61.6157 37.4488 176.5565 114 Q 4.3084 9.2601 129.3055 58.0976 30.6271 175.5841 115 T 5.2822 7.4879 113.7333 62.0592 73.5663 172.7017 116 M 5.1292 9.1226 124.4010 53.8736 35.8454 173.8199 117 Q 5.1178 9.2718 124.7293 54.0540 32.1672 174.1265 118 A 5.3877 9.0733 126.6995 50.6678 21.4948 174.8496 119 Y 4.8739 9.2722 121.8811 56.5493 39.7107 175.2334 120 W 4.9229 8.2726 120.1555 56.9114 30.6199 173.5789 121 S 4.4097 8.8935 114.3880 57.2412 65.6182 174.3847 122 E 4.4296 8.9427 118.2644 59.7327 29.2904 179.8869 123 V 3.7033 7.9866 111.1681 64.1009 31.8639 176.4657 124 N 4.7359 8.7585 115.9239 53.1702 38.8791 173.9669 125 L 4.9866 7.7838 121.4028 54.1346 43.6373 175.9678 126 S 4.7991 9.2796 121.7177 56.6809 66.1512 174.5674 127 V 4.0438 8.4759 123.6504 61.7620 31.1908 176.0116 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 2 N 8.37 5.49 0.00 2.61 2.86 0.00 0.00 6.89 6.97 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 3 L 8.46 4.07 0.00 1.66 1.59 1.01 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 5.08 0.00 2.03 1.78 0.00 3.44 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.37 0.00 5 T 8.50 4.15 4.23 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 1.20 0.00 0.00 6 A 8.44 3.90 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 7 Q 8.02 3.92 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 8 E 8.10 3.90 0.00 2.17 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 2.26 2.25 0.00 9 V 7.98 3.08 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 1.13 0.00 0.00 0.80 0.00 0.00 10 Q 8.16 4.06 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 11 G 8.07 3.57 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 0.00 0.00 0.00 12 L 8.01 3.95 0.00 1.35 1.59 0.36 1.14 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 13 M 8.41 4.17 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.75 0.00 14 A 8.14 4.04 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 15 R 8.26 3.81 0.00 1.94 2.15 0.00 3.10 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 16 Y 8.21 4.03 0.00 3.09 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 17 I 7.77 3.49 1.96 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.73 0.85 0.00 0.00 18 E 8.09 3.91 0.00 2.13 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 2.48 2.47 0.00 19 L 8.06 3.89 0.00 1.55 1.55 0.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.43 3.36 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 0.78 0.00 0.00 0.27 0.00 0.00 21 D 8.05 4.42 0.00 2.85 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 22 V 7.70 3.98 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 0.76 0.00 0.00 0.96 0.00 0.00 23 G 8.07 3.76 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 0.00 0.00 0.00 24 D 7.74 4.56 0.00 2.67 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 25 I 7.95 3.62 1.88 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 1.64 0.82 0.96 0.00 0.00 26 E 8.14 3.96 0.00 2.01 2.00 0.00 0.00 0.00 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 27 A 8.16 4.01 1.38 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 28 I 7.96 3.72 1.73 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.53 0.34 0.00 0.00 29 V 8.07 3.82 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 1.05 0.00 0.00 1.03 0.00 0.00 30 Q 8.00 4.11 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 31 M 8.16 4.21 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.60 0.00 32 Y 7.30 4.60 0.00 3.23 2.92 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 0.00 0.00 0.00 33 A 8.76 4.32 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 34 D 8.81 4.48 0.00 2.86 2.97 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 0.00 0.00 0.00 35 D 7.78 4.62 0.00 2.83 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 36 A 7.87 4.52 1.51 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 37 T 8.61 5.03 4.22 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 0.00 0.00 0.00 1.27 0.00 0.00 38 V 8.41 4.74 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 0.60 0.00 0.00 0.70 0.00 0.00 39 E 9.42 4.64 0.00 2.05 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 2.09 2.15 0.00 40 N 8.30 5.14 0.00 2.65 2.45 0.00 0.00 7.27 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 41 P 0.00 4.48 0.00 1.37 0.49 0.00 3.63 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.86 0.00 42 F 8.83 4.05 0.00 2.33 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 43 G 7.80 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 0.00 0.00 0.00 44 Q 7.05 4.47 0.00 2.09 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 45 P 0.00 4.23 0.00 1.97 1.91 0.00 3.58 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 1.96 2.00 0.00 46 P 0.00 4.73 0.00 2.02 1.98 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 47 I 8.36 4.54 1.89 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.63 0.79 0.00 0.00 48 H 9.20 5.09 0.00 3.08 3.16 0.00 5.93 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 49 G 9.05 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 0.00 0.00 0.00 50 R 8.43 3.88 0.00 1.90 2.02 0.00 3.17 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.94 0.00 51 E 8.11 3.93 0.00 2.04 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 2.39 2.42 0.00 52 Q 8.00 4.06 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 53 I 8.01 3.63 1.86 0.00 0.00 0.47 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 0.67 0.69 0.00 0.00 54 A 8.64 4.15 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 0.00 0.00 55 A 8.19 3.96 1.42 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 0.00 0.00 56 F 8.43 4.03 0.00 2.99 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 57 Y 8.36 3.85 0.00 3.19 2.97 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 0.00 0.00 0.00 58 R 8.42 3.80 0.00 1.98 2.07 0.00 3.28 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 59 Q 7.93 4.16 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 60 G 7.78 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 4.53 0.00 1.62 1.56 0.99 0.68 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 *65 K 8.47 4.02 0.00 1.74 1.78 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 66 V 8.25 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 0.94 0.00 0.00 0.90 0.00 0.00 67 R 8.95 5.04 0.00 2.08 1.97 0.00 2.98 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 68 A 9.45 5.40 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 69 C 9.20 4.90 0.00 3.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.81 4.67 0.00 1.60 1.88 0.95 0.95 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 71 T 8.39 4.51 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 72 G 7.39 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.43 0.00 2.20 2.08 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 74 V 8.18 3.89 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 0.81 0.00 0.00 0.96 0.00 0.00 75 R 9.24 4.57 0.00 1.95 1.84 0.00 3.27 0.00 0.00 3.21 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 76 A 8.59 5.24 1.15 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 77 S 8.67 4.55 0.00 3.85 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 78 H 8.58 4.90 0.00 3.18 3.33 0.00 5.64 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.07 5.00 0.00 2.78 2.85 0.00 0.00 6.91 6.56 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 80 G 8.69 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 0.00 0.00 0.00 81 C 7.78 5.51 0.00 2.87 2.89 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 82 G 8.93 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 9.23 5.58 1.19 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 0.00 0.00 0.00 84 M 9.20 5.22 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.60 0.00 85 P 0.00 5.51 0.00 2.18 2.24 0.00 3.81 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.99 0.00 86 F 8.87 5.51 0.00 3.31 3.17 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 0.00 0.00 0.00 87 R 9.34 4.96 0.00 1.86 1.80 0.00 3.05 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 88 V 8.80 4.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.13 0.00 0.00 89 E 9.30 5.26 0.00 1.90 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 2.22 2.23 0.00 90 M 8.91 5.33 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 91 V 8.36 4.87 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 0.85 0.00 0.00 0.96 0.00 0.00 92 W 9.06 4.93 0.00 3.28 2.94 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 93 N 10.18 4.32 0.00 2.53 2.68 0.00 0.00 7.14 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 94 G 8.00 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 95 Q 7.86 4.68 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 96 P 0.00 4.85 0.00 2.08 2.09 0.00 3.71 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 2.00 1.99 0.00 97 C 9.64 5.18 0.00 3.08 3.13 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 0.00 0.00 0.00 0.00 98 A 9.14 5.19 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 99 L 8.95 5.03 0.00 1.39 1.17 0.64 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.68 5.11 0.00 2.59 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 0.00 101 V 8.47 4.69 0.67 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 1.23 0.00 0.00 0.43 0.00 0.00 102 I 8.67 5.12 1.95 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 1.28 0.59 0.98 0.00 0.00 103 D 9.24 5.61 0.00 2.87 2.63 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 0.00 104 V 9.05 4.89 2.21 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 1.13 0.00 0.00 0.97 0.00 0.00 105 M 9.20 5.12 0.00 1.20 1.71 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.09 0.00 106 R 8.64 4.93 0.00 1.81 1.69 0.00 3.07 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 107 F 9.35 5.04 0.00 2.97 2.94 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 0.00 108 D 8.94 4.80 0.00 2.87 2.86 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 0.00 109 E 8.58 4.24 0.00 2.07 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 1.93 2.13 0.00 110 H 8.72 4.79 0.00 3.26 3.36 0.00 5.91 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 0.00 111 G 8.34 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 0.00 112 R 7.98 4.84 0.00 2.25 1.86 0.00 3.18 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 113 I 8.45 3.59 1.08 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.28 0.55 0.00 0.00 114 Q 9.26 4.31 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 115 T 7.49 5.28 4.22 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 0.00 0.00 0.00 1.22 0.00 0.00 116 M 9.12 5.13 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.76 0.00 117 Q 9.27 5.12 0.00 1.95 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.50 2.29 0.00 118 A 9.07 5.39 1.59 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 0.00 0.00 119 Y 9.27 4.87 0.00 3.12 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 0.00 120 W 8.27 4.92 0.00 3.35 3.04 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 0.00 121 S 8.89 4.41 0.00 3.95 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 0.00 122 E 8.94 4.43 0.00 2.19 2.18 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 2.53 2.60 0.00 123 V 7.99 3.70 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 0.75 0.00 0.00 1.00 0.00 0.00 124 N 8.76 4.74 0.00 3.10 3.05 0.00 0.00 6.45 6.64 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 0.00 125 L 7.78 4.99 0.00 1.73 1.82 1.00 1.01 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 0.00 126 S 9.28 4.80 0.00 3.73 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 0.00 127 V 8.48 4.04 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 0.66 0.00 0.00 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.