NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 V 4.0615 8.0549 117.9084 60.2825 33.6561 175.3912 4 I 4.3319 8.0491 122.2308 58.0764 38.7055 173.8158 5 N 5.0460 8.3739 123.0399 52.0132 39.0556 173.7753 6 T 4.6156 7.7031 109.1185 60.5848 72.4133 174.7620 7 F 4.2394 8.2988 120.3009 61.0581 38.9774 177.7397 8 D 4.5259 8.3224 118.0089 57.2803 40.8084 178.8184 9 G 3.7026 7.8943 106.3991 48.0110 0.0000 175.9256 10 V 3.6956 8.0775 120.7088 65.2910 31.6182 178.0023 11 A 4.0455 8.0941 120.6305 55.4159 18.2502 179.4016 12 D 4.2662 8.5594 117.8702 57.4381 40.8629 178.3749 13 Y 3.8930 8.0409 119.6427 60.6803 38.8103 178.0194 14 A 4.0856 8.1768 123.1178 54.8307 18.2880 179.6990 15 Q 3.4429 7.6169 114.8509 58.5132 28.7278 178.6284 16 T 3.6063 6.8570 115.7405 65.5392 68.8930 175.8840 17 Y 4.2141 7.0884 114.8061 56.7291 38.6632 175.4215 18 H 2.8976 7.6121 116.2809 55.6062 26.4093 174.2755 19 K 4.6125 7.3229 115.6131 56.3195 34.7957 174.1962 20 L 4.2771 8.2957 119.3903 53.0388 42.7190 175.2964 21 P 3.8763 0.0000 0.0000 62.2093 31.8306 177.4526 22 D 4.3665 8.4721 119.9497 57.5985 40.9357 177.6978 23 N 4.5075 8.0388 113.8473 53.4682 37.4142 173.3244 24 Y 5.0615 7.4326 117.2695 56.7262 39.8080 175.1413 25 I 4.9918 8.6173 115.9693 59.2571 41.8303 175.0492 26 T 4.7465 8.5254 114.1434 60.9577 70.2964 175.7085 27 K 4.0485 9.4250 120.8953 59.6134 31.8406 180.0063 28 S 4.2276 8.1072 115.4012 61.5675 62.9927 176.3529 29 E 4.0308 8.0725 120.0442 59.1214 29.3392 178.8463 30 A 4.0089 8.1381 121.7354 55.1961 18.5517 179.4117 31 Q 4.2683 8.7241 116.5233 59.4663 28.6659 179.3788 32 A 4.1077 7.9275 119.9927 54.6580 18.4727 178.7706 33 L 4.4025 7.5535 115.1528 54.4008 42.1632 177.1923 34 G 4.0744 7.6104 106.6667 44.8252 0.0000 173.9739 35 W 4.4068 8.5028 131.2130 57.0987 31.1764 175.5280 36 V 3.7514 9.4986 126.2616 60.5800 32.4867 175.3965 37 A 3.5303 7.5330 130.9046 55.3874 18.0267 179.7238 38 S 4.4303 7.8378 109.0382 60.8833 62.9934 175.5074 39 K 4.2074 7.9457 118.4725 55.8157 32.0893 176.8152 40 G 2.9840 7.6535 107.4939 46.3924 0.0000 174.3188 41 N 5.1427 7.8952 113.0102 51.3021 38.0708 175.9850 42 L 3.9866 8.5126 123.1333 58.8782 41.9805 178.4306 43 A 4.3942 8.0882 117.4740 53.3010 18.8384 177.6334 44 D 4.5650 8.7317 117.5056 56.5185 41.3611 178.9639 45 V 4.0506 7.7360 109.4060 62.5214 33.0005 176.5324 46 A 4.6995 8.2175 123.0783 49.4932 19.6143 173.8562 47 P 4.3814 0.0000 0.0000 64.0043 31.9867 177.6252 48 G 3.9869 8.8762 109.0870 45.3504 0.0000 173.6595 49 K 4.6115 7.4858 118.0263 55.7831 33.5634 176.5318 50 S 4.5014 8.3280 117.0992 56.5446 67.7385 173.4898 51 I 4.1831 7.9331 123.2606 61.4406 37.9157 175.3236 52 G 4.2385 9.1569 111.6777 46.9550 0.0000 173.8159 53 G 4.3472 9.4765 110.3696 44.4985 0.0000 174.0097 54 D 4.7733 8.0019 119.4784 53.5960 42.5377 175.9118 55 I 4.3023 8.3630 122.0844 61.6061 37.9837 175.1525 56 F 4.8477 8.9680 129.4892 56.3354 40.2583 175.7107 57 S 4.0029 8.2071 121.3869 59.1956 63.4812 173.5276 58 N 4.0250 6.7596 118.0812 54.3751 36.7884 176.0983 59 R 3.8983 7.7844 117.1256 58.6986 30.3974 177.9090 60 E 4.1204 8.0871 115.0430 56.1921 29.8974 176.7159 61 G 3.9316 7.7770 106.6728 46.4133 0.0000 175.4340 62 K 4.1070 8.1632 120.8230 57.7936 32.4900 177.3378 63 L 3.9907 7.1601 118.2356 51.2489 43.2759 174.5655 64 P 4.2431 0.0000 0.0000 63.2153 31.5095 176.3307 65 G 4.1423 8.1972 111.1469 44.0421 0.0000 172.4696 66 K 4.1649 8.0174 116.3163 55.2619 34.6315 174.1396 67 S 4.1603 8.9378 121.1810 60.5117 62.9239 174.9157 68 G 3.7964 8.8170 112.4369 45.7283 0.0000 172.6292 69 R 4.0446 8.1536 120.7643 55.3892 30.8655 175.6081 70 T 4.6307 8.2794 122.0219 61.5749 71.4928 173.3655 71 W 4.9899 8.5770 123.7310 55.0750 32.5530 174.8748 72 R 5.2306 8.5405 121.2502 54.3901 34.3689 173.8190 73 E 5.4778 8.9774 117.5183 54.9597 33.7046 174.4034 74 A 5.0045 8.9046 120.8586 50.5484 23.0183 175.4178 75 D 5.0052 9.1188 121.8934 54.3618 40.2935 176.1105 76 I 4.4423 8.1503 122.6211 60.1770 40.6112 175.8301 77 N 4.2312 8.9958 121.6548 54.1812 36.3986 173.6927 78 Y 4.3924 7.3300 119.6384 57.3782 39.7060 175.0727 79 T 4.0294 7.3273 115.0039 62.4308 70.5822 173.7699 80 S 4.1493 6.4944 112.4066 58.3048 65.6487 175.5502 81 G 3.8137 8.5463 107.3709 45.5002 0.0000 173.3470 82 F 4.4149 8.5366 118.2251 57.2387 39.6633 175.4025 83 R 4.2480 8.7504 122.3580 56.5312 30.6307 177.1907 84 N 4.8824 8.5922 118.6837 52.4959 40.0923 174.9141 85 S 4.2308 8.4997 113.1379 58.6537 64.4792 172.8715 86 D 5.4622 8.3598 122.0269 53.6640 42.4726 175.7974 87 R 5.0106 9.2523 121.1982 54.8117 35.4044 173.6343 88 I 5.1904 9.1445 122.3953 59.4192 40.9256 174.0750 89 L 5.4999 9.2669 129.0892 53.1564 43.8450 175.0019 90 Y 5.6353 9.1530 122.4036 55.3447 41.4656 175.3759 91 S 3.9731 8.3745 117.9413 56.5411 64.8168 175.3624 92 S 3.5241 8.0087 115.4215 60.2809 62.5638 174.8238 93 D 4.6335 7.2101 119.5392 52.5080 39.4848 175.6567 94 W 3.8303 6.6150 116.4330 58.5665 27.5639 174.7337 95 L 4.5345 8.0566 117.2498 54.6437 42.9037 176.5346 96 I 5.4425 8.4231 122.4267 60.0207 40.3817 174.3265 97 Y 5.2924 9.5724 123.8267 56.0467 42.5759 174.3976 98 K 5.3432 9.3700 119.6232 55.7378 36.7590 174.9788 99 T 4.9309 8.9190 114.9841 60.5556 70.8138 174.0410 100 T 4.9501 8.7107 116.0067 60.3118 69.4161 173.6970 101 D 4.6455 7.0388 120.7409 53.7968 39.7179 174.6933 102 H 3.3772 8.3881 110.3105 58.3853 26.8055 175.3308 103 Y 3.1047 7.1113 109.5548 59.0899 36.3709 172.1073 104 Q 4.1568 7.8085 119.7303 58.4297 29.0285 176.6730 105 T 4.6750 7.6939 105.2678 59.6385 71.7175 172.7741 106 F 5.3598 8.5301 120.0893 56.2993 43.3510 174.3376 107 T 4.7933 8.8871 116.3615 61.6708 72.6369 173.4364 108 K 3.6269 8.6732 127.5495 55.9662 32.6032 176.4396 109 I 4.4522 8.4348 118.7381 60.5482 38.8165 175.7495 110 R 4.1521 7.5280 125.7269 56.9304 30.9428 174.5251 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 V 8.05 4.06 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 0.94 0.00 0.00 0.93 0.00 0.00 4 I 8.05 4.33 1.74 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.12 0.92 0.00 0.00 5 N 8.37 5.05 0.00 2.79 2.85 0.00 0.00 5.85 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 6 T 7.70 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 1.19 0.00 0.00 7 F 8.30 4.24 0.00 3.15 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 8 D 8.32 4.53 0.00 2.75 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 9 G 7.89 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 10 V 8.08 3.70 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 0.95 0.00 0.00 1.05 0.00 0.00 11 A 8.09 4.05 1.49 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 12 D 8.56 4.27 0.00 2.80 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 13 Y 8.04 3.89 0.00 3.26 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 14 A 8.18 4.09 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 15 Q 7.62 3.44 0.00 1.91 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.47 2.61 0.00 16 T 6.86 3.61 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 0.32 0.00 0.00 17 Y 7.09 4.21 0.00 2.32 2.60 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 18 H 7.61 2.90 0.00 3.24 3.40 0.00 5.71 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.32 4.61 0.00 2.03 2.01 0.00 1.49 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.50 1.70 7.81 20 L 8.30 4.28 0.00 1.68 1.52 0.80 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.88 0.00 2.26 1.28 0.00 3.58 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 2.05 1.42 0.00 22 D 8.47 4.37 0.00 2.60 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 23 N 8.04 4.51 0.00 2.74 2.88 0.00 0.00 6.20 7.57 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 24 Y 7.43 5.06 0.00 3.01 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 25 I 8.62 4.99 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.69 0.89 0.00 0.00 26 T 8.53 4.75 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 1.31 0.00 0.00 27 K 9.43 4.05 0.00 1.98 2.27 0.00 2.04 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.45 1.85 7.81 28 S 8.11 4.23 0.00 3.92 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 29 E 8.07 4.03 0.00 2.21 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 2.38 0.00 30 A 8.14 4.01 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 31 Q 8.72 4.27 0.00 2.45 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.82 0.00 32 A 7.93 4.11 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 33 L 7.55 4.40 0.00 1.95 1.77 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.61 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 35 W 8.50 4.41 0.00 3.23 3.30 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 36 V 9.50 3.75 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 0.79 0.00 0.00 0.92 0.00 0.00 37 A 7.53 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.84 4.43 0.00 3.84 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 39 K 7.95 4.21 0.00 1.83 1.80 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.32 7.81 40 G 7.65 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 0.00 0.00 0.00 41 N 7.90 5.14 0.00 2.89 3.00 0.00 0.00 6.35 6.67 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 42 L 8.51 3.99 0.00 1.34 1.66 0.49 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.09 4.39 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 44 D 8.73 4.57 0.00 2.88 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 45 V 7.74 4.05 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 0.74 0.00 0.00 1.10 0.00 0.00 46 A 8.22 4.70 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 47 P 0.00 4.38 0.00 2.17 2.17 0.00 3.80 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 48 G 8.88 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 0.00 0.00 0.00 49 K 7.49 4.61 0.00 1.73 1.60 0.00 1.43 0.00 0.00 1.80 0.00 0.00 2.78 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.38 7.81 50 S 8.33 4.50 0.00 3.08 3.54 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 51 I 7.93 4.18 1.67 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 0.55 0.10 0.85 0.00 0.00 52 G 9.16 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 0.00 0.00 0.00 0.00 53 G 9.48 4.35 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 0.00 54 D 8.00 4.77 0.00 2.71 2.66 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 0.00 0.00 0.00 0.00 55 I 8.36 4.30 1.88 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 1.23 0.74 0.91 0.00 0.00 56 F 8.97 4.85 0.00 2.96 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 57 S 8.21 4.00 0.00 3.85 3.77 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 58 N 6.76 4.03 0.00 2.89 2.82 0.00 0.00 7.25 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 59 R 7.78 3.90 0.00 1.69 1.89 0.00 3.13 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.47 0.00 60 E 8.09 4.12 0.00 1.99 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 0.00 2.29 2.28 0.00 61 G 7.78 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 0.00 0.00 0.00 62 K 8.16 4.11 0.00 1.89 2.07 0.00 2.02 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.52 1.55 7.81 63 L 7.16 3.99 0.00 0.59 0.13 -0.63 -0.71 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 64 P 0.00 4.24 0.00 2.33 2.15 0.00 3.01 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.09 0.00 65 G 8.20 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 0.00 0.00 0.00 0.00 66 K 8.02 4.16 0.00 1.82 1.54 0.00 1.87 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.28 0.88 7.81 67 S 8.94 4.16 0.00 3.87 3.81 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 68 G 8.82 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 69 R 8.15 4.04 0.00 1.54 1.82 0.00 3.19 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.00 0.00 70 T 8.28 4.63 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 1.12 0.00 0.00 71 W 8.58 4.99 0.00 3.46 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 72 R 8.54 5.23 0.00 0.67 1.52 0.00 2.90 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.35 0.00 73 E 8.98 5.48 0.00 2.17 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 0.00 2.45 2.37 0.00 74 A 8.90 5.00 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 75 D 9.12 5.01 0.00 2.67 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 76 I 8.15 4.44 1.32 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.95 -0.22 0.00 0.00 77 N 9.00 4.23 0.00 2.76 2.89 0.00 0.00 6.92 7.49 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 78 Y 7.33 4.39 0.00 3.03 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 79 T 7.33 4.03 4.06 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 0.00 0.00 0.00 1.08 0.00 0.00 80 S 6.49 4.15 0.00 3.84 3.66 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 0.00 0.00 0.00 0.00 81 G 8.55 3.81 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 0.00 0.00 0.00 82 F 8.54 4.41 0.00 3.18 3.15 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 83 R 8.75 4.25 0.00 1.98 1.94 0.00 3.25 0.00 0.00 3.53 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.69 0.00 84 N 8.59 4.88 0.00 2.86 2.97 0.00 0.00 6.00 7.64 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 85 S 8.50 4.23 0.00 3.73 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 86 D 8.36 5.46 0.00 2.81 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 87 R 9.25 5.01 0.00 1.65 1.92 0.00 3.58 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 1.30 1.08 0.00 88 I 9.14 5.19 2.10 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 1.07 0.00 0.00 89 L 9.27 5.50 0.00 1.62 1.52 0.42 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 9.15 5.64 0.00 3.13 3.19 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 91 S 8.37 3.97 0.00 3.00 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 92 S 8.01 3.52 0.00 3.71 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 93 D 7.21 4.63 0.00 2.69 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 94 W 6.62 3.83 0.00 3.52 3.38 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 95 L 8.06 4.53 0.00 1.72 1.94 1.06 0.89 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 96 I 8.42 5.44 1.98 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.26 1.10 0.00 0.00 97 Y 9.57 5.29 0.00 2.87 2.88 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 98 K 9.37 5.34 0.00 1.35 1.62 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.46 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.04 1.07 7.81 99 T 8.92 4.93 3.60 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 0.97 0.00 0.00 100 T 8.71 4.95 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 0.00 101 D 7.04 4.65 0.00 2.80 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 0.00 102 H 8.39 3.38 0.00 3.31 3.47 0.00 5.98 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.11 3.10 0.00 3.25 3.29 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 0.00 104 Q 7.81 4.16 0.00 2.41 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 105 T 7.69 4.67 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 1.17 0.00 0.00 106 F 8.53 5.36 0.00 2.91 3.02 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 0.00 107 T 8.89 4.79 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 1.16 0.00 0.00 108 K 8.67 3.63 0.00 0.99 1.46 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.18 1.02 7.81 109 I 8.43 4.45 1.83 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 1.29 0.88 0.82 0.00 0.00 110 R 7.53 4.15 0.00 1.86 1.82 0.00 3.32 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.