NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4877 8.3349 115.4180 58.4287 64.0667 172.6476 3 N 4.5598 8.1709 122.2937 52.1094 41.8563 170.8302 4 T 4.8003 7.9336 112.7805 61.5872 71.6177 173.5256 5 L 4.6550 8.4968 118.9059 56.3763 44.4953 174.4256 6 F 4.9606 7.7657 121.1584 57.9823 43.0423 171.8890 7 D 4.6702 6.7774 117.3659 54.7045 43.9515 174.4271 8 D 4.4346 8.0371 123.6441 54.1587 44.6105 173.0723 9 I 5.0905 10.1034 117.6555 60.0577 41.4609 174.7156 10 F 5.1250 9.4665 124.8659 55.8280 43.2688 173.5695 11 Q 4.8804 9.4489 123.4104 54.4266 31.4668 174.4933 12 V 4.2008 8.3824 126.9200 62.3781 31.8999 176.6611 13 S 4.3485 9.6727 126.8259 61.5522 63.7624 175.1117 14 E 4.6849 7.6261 115.4130 55.3959 33.8899 175.1033 15 V 4.6984 8.5503 123.7680 61.2460 33.9934 173.8735 16 D 4.8300 8.7108 129.2076 52.2893 41.9493 174.7371 17 P 4.6896 0.0000 0.0000 62.2033 31.8879 174.6955 18 G 3.9155 7.1276 108.8172 48.1285 0.0000 172.0735 19 R 4.3500 8.8370 125.7850 56.1172 28.2889 176.9584 20 Y 4.6823 6.3722 112.7465 57.8179 38.6441 174.8343 21 N 4.9334 8.7141 117.1527 53.8709 41.0213 176.0972 22 K 4.4138 7.9879 115.9350 57.0178 33.6293 176.7329 23 V 4.9695 7.7816 118.8280 61.2898 34.6197 174.1056 24 C 5.1435 9.2210 123.1995 58.2268 33.7124 172.9532 25 R 4.8953 9.2269 121.1461 54.5599 31.7082 175.0371 26 I 4.9054 8.5565 129.2219 60.9931 38.3322 175.7500 27 E 4.6483 9.0284 127.3094 55.8963 29.5899 175.3402 28 A 5.2337 8.6177 126.2148 50.3113 21.8102 175.5137 29 A 5.1064 9.3921 121.9412 50.0779 22.7485 175.5410 30 S 4.3887 8.3170 114.5363 57.5419 63.2481 174.0201 31 T 4.0994 7.8082 117.8051 64.2164 68.9419 172.4162 32 T 3.8668 8.6465 124.2119 62.4903 65.6475 175.7158 33 Q 4.2202 8.9988 132.8117 56.2434 29.0711 176.3515 34 D 4.5201 8.8680 123.1118 56.7018 41.3017 177.0700 35 Q 4.4542 7.8263 115.8658 57.9807 30.3793 176.1233 36 C 4.6830 8.1206 122.6454 58.4665 32.5393 172.1005 37 K 5.1778 8.8613 125.0694 54.5449 36.0287 174.8619 38 L 4.9347 8.5324 123.1097 53.7447 45.2399 175.1564 39 T 4.9658 8.5068 123.3763 61.7985 71.0691 173.1419 40 L 5.0038 9.1257 127.7687 54.0075 46.2569 173.5338 41 D 5.2865 8.4532 126.0456 53.4860 41.9570 176.1297 42 I 4.7158 8.7010 123.8231 59.2547 40.6913 174.4050 43 N 4.9144 9.2002 125.1718 53.9573 38.5673 175.0284 44 V 4.1444 8.9441 124.7560 63.2169 31.4094 175.7736 45 E 4.4422 8.4991 120.1007 58.3184 30.6992 176.7336 46 L 4.2624 8.2044 115.5389 55.5236 41.6411 176.8272 47 F 4.7493 6.9911 116.5263 57.4872 41.6754 171.1623 48 P 4.4599 0.0000 0.0000 61.9019 32.3651 176.0496 49 V 4.2683 7.7596 117.4803 61.7944 34.2792 172.8790 50 A 4.7615 8.4894 128.8322 49.5069 21.9539 175.7279 51 A 3.9265 8.6088 121.9634 53.7057 18.7583 177.0439 52 Q 3.3231 8.7964 117.0658 56.6215 29.2190 173.8956 53 D 4.6203 7.7638 119.0198 55.4646 42.2541 175.3606 54 S 5.2404 8.4139 112.3227 56.9812 66.1813 172.9071 55 L 4.8595 9.2531 123.7141 53.4514 45.7026 175.6167 56 T 4.7406 8.7873 121.3221 62.3945 69.9866 174.2504 57 V 4.5041 8.6340 128.5768 61.7548 32.9406 174.7498 58 T 5.1747 8.8549 126.2871 60.8138 70.9359 174.2787 59 I 4.3593 8.5945 127.4895 61.7492 38.8566 175.2050 60 A 5.0282 8.5374 125.1945 52.3338 22.8303 176.9215 61 S 5.0651 8.6158 108.1586 59.0897 68.2204 173.9611 62 S 4.5832 7.9534 114.1975 58.8531 62.9124 177.0385 63 L 3.4714 8.1638 114.4643 55.3961 39.0076 176.2384 *76 T 4.1942 7.7221 114.6675 62.1635 70.4014 172.4679 77 R 3.8228 8.1794 124.4656 55.3115 30.2907 178.3778 78 S 4.7201 8.4301 111.9814 57.9762 62.0932 173.6560 79 W 5.2545 8.6050 132.8923 56.9354 33.8155 174.9394 80 R 4.7155 7.0274 121.2899 53.7735 34.6009 175.3980 81 P 4.3203 0.0000 0.0000 61.4036 30.9200 177.4243 82 P 4.5121 0.0000 0.0000 66.0025 29.4805 174.1138 83 Q 4.3687 8.3961 116.0912 56.0931 27.4646 174.1445 84 A 4.0590 8.0260 120.1543 55.7472 19.0556 178.6281 85 G 3.9170 7.6924 105.3498 43.7650 0.0000 171.9630 86 D 4.5199 7.4702 121.5325 53.9207 43.6189 178.4731 87 R 4.2636 8.0965 117.0881 58.1347 32.4172 176.9018 88 S 4.4639 8.2863 110.3470 58.9764 62.3761 175.3415 89 L 4.1975 7.7615 123.4552 54.7172 38.9010 177.5876 90 A 4.1378 8.2204 120.8042 52.9735 18.7562 177.0616 91 D 5.1658 8.7466 117.9610 52.1631 40.5866 175.8938 92 D 4.8185 8.8183 125.0365 54.6421 41.3818 175.6947 93 Y 4.8573 7.9277 116.2266 56.0148 40.7066 175.9100 94 D 4.6660 8.7609 120.7305 57.7379 41.7639 176.9572 95 Y 4.2151 7.7116 119.7064 56.7257 41.3803 173.6640 96 V 4.8571 8.0407 126.6465 61.5250 34.5398 174.5173 97 M 4.6860 9.1451 127.1855 53.8623 35.5300 174.2161 98 Y 4.8766 8.5140 120.2909 56.6127 41.4903 173.8550 99 G 3.4224 8.4331 115.6070 45.5621 0.0000 170.6512 100 T 4.8467 7.8374 115.8603 62.2561 73.5126 172.8963 101 A 4.8693 8.0942 126.8032 50.6749 20.1113 176.5432 102 Y 4.5115 8.2488 117.4987 55.8592 38.9712 175.7316 103 K 3.9737 6.5372 125.0021 56.4748 31.0604 177.8328 104 F 4.1447 7.6609 116.3186 61.8867 35.2405 177.5467 105 E 4.1396 6.8124 123.8258 57.4895 25.8651 177.6522 106 E 4.5547 8.8901 117.3675 57.6416 30.4987 178.3027 107 V 3.1178 6.6190 112.6526 64.8724 29.1223 172.4838 108 S 4.8381 8.2465 121.6204 55.9693 66.7898 177.8432 109 K 3.8087 8.2123 124.0477 57.7751 31.6228 175.5415 110 D 4.8984 8.6894 123.5624 54.9366 42.2487 174.4532 111 L 4.8529 7.5234 118.3902 52.8766 44.0096 176.6158 112 I 4.5582 8.1284 122.3550 60.4689 40.1084 174.5110 113 A 5.5610 8.4364 123.9619 49.7900 22.3303 175.4120 114 V 4.3831 8.1968 121.9313 60.5364 34.0647 175.8010 115 Y 3.9612 7.8540 120.0947 58.7672 39.3066 173.6302 116 Y 3.5227 7.1549 119.7301 57.8799 38.0115 169.5711 117 S 4.7667 8.7368 117.8437 56.8935 65.3965 172.8640 118 F 4.2670 9.9480 127.9416 56.7696 38.0706 176.8770 119 G 3.6742 8.9450 119.9117 46.4536 0.0000 173.1671 120 G 3.8704 8.1013 109.7049 44.6019 0.0000 173.7433 121 L 4.2694 8.0643 121.3853 54.6952 42.5170 176.1534 122 L 5.2731 9.2553 124.2183 53.4261 44.3393 175.2918 123 M 5.2847 9.4422 121.1612 54.0159 36.5313 174.1933 124 R 4.3995 8.7369 122.5687 54.6933 34.1213 173.4970 125 L 5.5481 8.1145 126.2992 52.5351 43.2509 176.1198 126 E 4.6255 8.7461 125.4451 54.1235 31.2226 178.4964 127 G 4.3909 7.9617 114.3708 45.9418 0.0000 175.5927 128 N 4.5099 7.8588 124.6154 53.9351 43.4298 174.9036 129 Y 4.5309 7.4994 115.0030 58.4894 38.8114 175.3653 130 R 4.8107 7.2100 116.6540 55.7120 29.7350 177.1634 131 N 4.2913 8.2750 116.8360 57.2970 39.7024 177.0211 132 L 4.4613 7.5951 118.5150 53.0181 40.5929 174.7206 133 N 4.9568 7.7320 116.4679 54.7567 45.5734 173.9320 134 N 4.6312 8.3429 117.7288 52.2758 37.7037 174.8747 135 L 3.5955 7.7417 121.2338 53.5299 39.7281 177.9949 136 K 3.9090 8.4092 123.7410 58.3522 31.2424 175.5197 137 Q 4.6440 7.5139 117.2370 54.9284 34.5113 174.4725 138 E 3.9173 9.7206 123.2921 58.1387 27.5671 180.1264 139 N 4.0656 5.7700 106.0430 52.5145 35.0830 171.9152 140 A 4.6716 8.1445 120.8670 50.1718 22.6257 175.7557 141 Y 4.9375 8.9836 119.8666 58.6213 39.9302 174.8924 142 L 5.0149 8.6639 122.2779 53.7800 46.2712 174.9368 143 L 4.9574 8.0031 123.9129 53.4258 46.6747 174.9927 144 I 5.7931 8.7902 123.3191 58.7613 41.5101 174.4768 145 R 5.2012 8.9124 122.0886 54.3720 33.3842 175.6126 146 R 4.3623 8.2901 118.0267 56.6269 30.1141 175.8954 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 S 8.33 4.49 0.00 4.00 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 3 N 8.17 4.56 0.00 2.82 2.81 0.00 0.00 6.85 6.65 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 4 T 7.93 4.80 4.29 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 1.26 0.00 0.00 5 L 8.50 4.65 0.00 1.80 1.91 1.15 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.77 4.96 0.00 3.20 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 7 D 6.78 4.67 0.00 2.74 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 4.43 0.00 2.23 2.45 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 9 I 10.10 5.09 1.84 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 0.87 0.96 0.00 0.00 10 F 9.47 5.12 0.00 3.03 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 11 Q 9.45 4.88 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 12 V 8.38 4.20 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 0.93 0.00 0.00 0.98 0.00 0.00 13 S 9.67 4.35 0.00 3.75 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 14 E 7.63 4.68 0.00 1.88 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 2.26 2.26 0.00 15 V 8.55 4.70 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 0.80 0.00 0.00 0.95 0.00 0.00 16 D 8.71 4.83 0.00 2.91 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 17 P 0.00 4.69 0.00 2.44 2.29 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 18 G 7.13 3.92 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 0.00 0.00 0.00 19 R 8.84 4.35 0.00 1.61 2.00 0.00 3.31 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.45 0.00 20 Y 6.37 4.68 0.00 3.12 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 21 N 8.71 4.93 0.00 2.72 2.86 0.00 0.00 6.91 7.61 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 22 K 7.99 4.41 0.00 1.71 1.85 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.44 7.81 23 V 7.78 4.97 1.92 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 0.78 0.00 0.00 0.85 0.00 0.00 24 C 9.22 5.14 0.00 2.90 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 25 R 9.23 4.90 0.00 1.89 1.84 0.00 3.15 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 26 I 8.56 4.91 2.01 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 1.25 0.77 0.89 0.00 0.00 27 E 9.03 4.65 0.00 1.95 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 2.41 2.46 0.00 28 A 8.62 5.23 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 29 A 9.39 5.11 1.28 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 0.00 0.00 0.00 30 S 8.32 4.39 0.00 3.73 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 31 T 7.81 4.10 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 1.20 0.00 0.00 32 T 8.65 3.87 4.13 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 1.08 0.00 0.00 33 Q 9.00 4.22 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.88 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 34 D 8.87 4.52 0.00 2.66 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 35 Q 7.83 4.45 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 36 C 8.12 4.68 0.00 3.29 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 37 K 8.86 5.18 0.00 1.89 1.69 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.58 1.51 7.81 38 L 8.53 4.93 0.00 1.13 1.21 0.61 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.51 4.97 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 1.27 0.00 0.00 40 L 9.13 5.00 0.00 1.63 1.34 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.45 5.29 0.00 2.81 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 42 I 8.70 4.72 1.87 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.59 1.06 0.00 0.00 43 N 9.20 4.91 0.00 2.86 2.83 0.00 0.00 6.64 7.74 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 44 V 8.94 4.14 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 0.97 0.00 0.00 0.98 0.00 0.00 45 E 8.50 4.44 0.00 2.15 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 2.25 2.27 0.00 46 L 8.20 4.26 0.00 1.74 1.72 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 47 F 6.99 4.75 0.00 3.54 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 48 P 0.00 4.46 0.00 1.94 1.96 0.00 3.38 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.00 0.00 49 V 7.76 4.27 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 0.75 0.00 0.00 1.03 0.00 0.00 50 A 8.49 4.76 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 51 A 8.61 3.93 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 52 Q 8.80 3.32 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 53 D 7.76 4.62 0.00 2.83 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 54 S 8.41 5.24 0.00 3.95 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 55 L 9.25 4.86 0.00 1.68 1.58 0.96 0.77 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 56 T 8.79 4.74 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 1.35 0.00 0.00 57 V 8.63 4.50 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 0.84 0.00 0.00 0.95 0.00 0.00 58 T 8.85 5.17 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 1.30 0.00 0.00 59 I 8.59 4.36 1.93 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 1.03 0.79 0.87 0.00 0.00 60 A 8.54 5.03 1.21 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 61 S 8.62 5.07 0.00 4.08 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 62 S 7.95 4.58 0.00 3.88 3.24 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 63 L 8.16 3.47 0.00 1.59 1.56 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.72 4.19 4.31 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 0.00 0.00 0.00 1.33 0.00 0.00 77 R 8.18 3.82 0.00 1.95 1.93 0.00 3.30 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 78 S 8.43 4.72 0.00 3.90 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 79 W 8.61 5.25 0.00 3.15 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 80 R 7.03 4.72 0.00 1.50 1.57 0.00 3.19 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 81 P 0.00 4.32 0.00 1.94 1.22 0.00 3.48 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 82 P 0.00 4.51 0.00 2.26 1.85 0.00 3.71 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 1.90 1.96 0.00 83 Q 8.40 4.37 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 84 A 8.03 4.06 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 85 G 7.69 3.92 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 0.00 0.00 0.00 86 D 7.47 4.52 0.00 2.79 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 87 R 8.10 4.26 0.00 1.73 1.94 0.00 3.24 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 88 S 8.29 4.46 0.00 3.73 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 89 L 7.76 4.20 0.00 1.70 1.81 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.22 4.14 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 91 D 8.75 5.17 0.00 2.82 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 92 D 8.82 4.82 0.00 2.40 2.61 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 0.00 0.00 0.00 93 Y 7.93 4.86 0.00 2.86 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 94 D 8.76 4.67 0.00 2.80 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 95 Y 7.71 4.22 0.00 2.48 2.35 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 96 V 8.04 4.86 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 0.96 0.00 0.00 0.92 0.00 0.00 97 M 9.15 4.69 0.00 1.39 1.37 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.34 0.00 98 Y 8.51 4.88 0.00 2.52 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 99 G 8.43 3.42 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 0.00 100 T 7.84 4.85 4.08 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 1.16 0.00 0.00 101 A 8.09 4.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 8.25 4.51 0.00 2.79 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 0.00 103 K 6.54 3.97 0.00 2.02 2.39 0.00 1.67 0.00 0.00 1.88 0.00 0.00 2.79 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.23 7.81 104 F 7.66 4.14 0.00 2.81 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 0.00 105 E 6.81 4.14 0.00 1.95 1.87 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 2.30 2.35 0.00 106 E 8.89 4.55 0.00 2.19 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 2.43 2.43 0.00 107 V 6.62 3.12 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 0.71 0.00 0.00 0.87 0.00 0.00 108 S 8.25 4.84 0.00 3.89 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 0.00 109 K 8.21 3.81 0.00 1.85 0.87 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.51 7.81 110 D 8.69 4.90 0.00 2.61 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 0.00 111 L 7.52 4.85 0.00 1.63 1.65 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.13 4.56 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 1.23 1.24 0.83 0.00 0.00 113 A 8.44 5.56 1.07 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 0.00 114 V 8.20 4.38 1.91 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 0.64 0.00 0.00 0.33 0.00 0.00 115 Y 7.85 3.96 0.00 1.96 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 0.00 0.00 0.00 0.00 116 Y 7.15 3.52 0.00 3.18 2.40 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 0.00 117 S 8.74 4.77 0.00 3.67 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 0.00 118 F 9.95 4.27 0.00 3.36 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 0.00 119 G 8.94 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 0.00 0.00 0.00 120 G 8.10 3.87 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 0.00 121 L 8.06 4.27 0.00 1.99 1.78 1.03 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.26 5.27 0.00 1.83 1.75 0.99 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 123 M 9.44 5.28 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 124 R 8.74 4.40 0.00 1.57 1.46 0.00 2.85 0.00 0.00 2.96 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.50 0.00 125 L 8.11 5.55 0.00 1.50 1.39 0.44 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.75 4.63 0.00 2.04 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 2.37 2.29 0.00 127 G 7.96 4.39 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 0.00 128 N 7.86 4.51 0.00 2.79 2.83 0.00 0.00 6.68 7.56 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 0.00 129 Y 7.50 4.53 0.00 3.18 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 0.00 130 R 7.21 4.81 0.00 2.13 2.24 0.00 2.72 0.00 0.00 3.13 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.12 0.00 131 N 8.27 4.29 0.00 2.74 2.90 0.00 0.00 7.22 7.85 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 0.00 132 L 7.60 4.46 0.00 1.67 1.67 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 133 N 7.73 4.96 0.00 2.68 2.93 0.00 0.00 7.27 7.79 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 0.00 134 N 8.34 4.63 0.00 2.77 2.82 0.00 0.00 7.18 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 7.74 3.60 0.00 1.78 1.76 1.08 1.03 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 0.00 136 K 8.41 3.91 0.00 1.74 1.90 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.58 7.81 137 Q 7.51 4.64 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 138 E 9.72 3.92 0.00 1.91 1.53 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 2.24 2.19 0.00 139 N 5.77 4.07 0.00 3.00 3.23 0.00 0.00 6.76 6.77 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 0.00 140 A 8.14 4.67 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 0.00 141 Y 8.98 4.94 0.00 2.92 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 0.00 142 L 8.66 5.01 0.00 1.45 0.79 0.80 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.00 4.96 0.00 1.10 0.13 0.69 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.79 5.79 1.31 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.11 0.16 0.00 0.00 145 R 8.91 5.20 0.00 1.86 2.01 0.00 2.89 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.64 0.00 146 R 8.29 4.36 0.00 2.35 1.98 0.00 2.97 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 * Residues marked with a * may have inaccurate shift predictions.