NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 Q 4.2626 8.3444 118.8250 55.8121 29.9747 173.9805 6 R 4.0272 8.2168 117.6332 55.6911 30.7034 173.4706 7 S 4.6499 7.8998 115.0717 57.5473 66.0876 173.6243 8 R 4.2104 7.9097 118.3686 55.8282 29.7758 176.2346 9 F 5.1199 7.4889 117.3919 55.9199 41.7375 175.2033 10 R 4.6712 9.7339 118.5121 56.2697 31.9638 175.5460 11 K 4.9116 8.2511 118.2841 54.4447 36.2175 175.3879 12 I 4.4883 8.4491 125.0545 59.4534 40.9686 173.8418 13 C 4.6820 8.2541 127.4818 57.9344 33.0992 172.1779 14 V 4.5962 8.1217 126.9025 61.1368 32.8485 174.9391 15 F 5.0726 8.7712 128.0811 57.0073 40.2099 174.7483 16 C 5.0046 8.2613 116.9759 58.6418 31.2953 173.3690 17 G 4.4159 7.7488 108.6793 44.6183 0.0000 174.5546 18 S 5.0655 8.4366 119.3249 58.0700 62.8833 172.9730 19 H 4.9589 7.8631 117.0204 54.3304 31.5547 173.8722 20 S 4.4374 8.7341 117.7900 57.9837 63.5893 175.3603 21 G 4.2426 7.8951 104.5073 45.7796 0.0000 173.7693 22 H 4.4143 8.4952 116.5489 58.7483 28.8257 176.8946 23 R 4.2680 8.0091 118.6048 55.7128 30.7925 177.5971 24 E 4.1220 8.8437 121.9039 58.7205 29.4433 179.6985 25 V 3.5419 7.7273 119.5134 64.9030 31.2122 178.2687 26 F 4.1429 7.6944 117.8251 60.3600 38.8375 177.8749 27 S 4.2006 8.1230 114.4271 61.6406 62.7225 176.1660 28 D 4.3656 8.2522 121.4377 57.2800 40.5164 178.8217 29 A 3.9375 8.0353 121.0432 55.0034 18.5252 179.3714 30 A 3.9522 8.0279 119.3397 55.4998 18.3519 180.0069 31 I 3.6499 7.6745 117.8110 64.5705 37.1229 178.3695 32 E 3.9463 8.1013 119.4304 59.5030 29.2245 179.3116 33 L 4.0271 8.1943 120.3961 57.8827 42.1374 179.2016 34 G 3.5850 7.8902 105.4894 47.9251 0.0000 175.3123 35 N 4.3616 8.3965 119.5463 56.2042 38.4288 177.4339 36 E 4.0747 8.4042 119.9422 59.1119 29.4425 179.4463 37 L 3.9678 8.0309 119.5148 57.4454 41.6509 179.5340 38 V 3.5276 8.3098 118.4857 66.1205 31.3855 178.3058 39 K 3.8759 8.2410 116.8269 58.9270 31.9865 177.9154 40 R 4.4854 7.4105 114.9328 55.0829 30.8391 175.8827 41 K 3.7964 8.0599 116.5609 57.9326 29.5278 175.9123 42 I 4.6976 8.0366 118.8110 59.4681 39.5907 177.4287 43 D 4.6733 8.7836 126.9978 54.3139 42.2120 175.1597 44 L 5.0646 9.0282 123.1009 53.7564 44.9262 175.3770 45 V 5.0631 8.1319 123.4130 61.8005 35.5101 173.7697 46 Y 4.9890 9.0834 124.4445 56.5198 41.1644 175.2228 47 G 3.4466 8.8879 107.6755 47.1850 0.0000 174.6672 48 G 3.3202 5.5508 107.2681 44.4454 0.0000 173.9172 49 G 3.7672 7.4166 108.8786 45.5448 0.0000 174.0331 50 S 4.4657 8.6846 116.8932 58.7625 64.2080 174.0240 51 V 4.5379 7.4597 113.8526 59.8397 34.6781 175.1436 52 G 4.3134 8.3082 107.0341 45.4681 0.0000 175.2292 53 L 4.1979 7.6101 116.6769 54.7452 41.0529 179.1268 *55 G 4.3376 8.0313 107.6972 45.3903 0.0000 175.5813 56 L 4.1209 7.9834 120.3370 57.3209 42.0778 178.7729 57 I 3.7672 7.4989 117.4877 63.0114 37.8185 177.8997 58 S 3.7920 7.5260 115.0203 61.5720 62.8158 176.0912 59 R 4.1371 7.3725 119.9895 56.8345 29.5720 178.4735 60 R 4.0414 7.5044 118.9256 59.0147 30.4126 178.3624 61 V 3.5238 7.3975 117.8859 65.8694 31.3368 177.3496 62 Y 4.2046 7.8505 119.3435 60.7102 38.5685 177.3243 63 E 4.2175 7.8965 114.4180 57.3481 29.4445 177.6265 64 G 3.8818 7.5416 106.8374 44.9512 0.0000 174.9272 65 G 3.8642 8.4717 109.1416 44.8182 0.0000 173.7664 66 L 4.5859 7.0478 119.0106 53.7434 43.2239 176.3811 67 H 4.4449 9.8107 122.4317 56.3765 31.3121 174.2085 68 V 5.1728 8.0032 122.9498 60.0523 35.1843 174.0359 69 L 5.4914 8.0751 127.8961 53.1612 44.8711 175.0700 70 G 4.2622 8.6107 115.3331 45.3483 0.0000 170.7511 71 I 4.4112 7.7596 127.0229 61.4501 38.8064 174.6088 72 I 4.5095 8.7356 126.2160 58.9205 42.0152 171.9995 73 P 4.7098 0.0000 0.0000 62.3612 31.7803 177.0757 74 K 3.9280 9.9788 124.4942 60.3088 32.2795 178.1925 75 A 4.0934 8.2203 121.1572 53.6429 19.1203 177.6491 76 L 4.4304 7.8886 119.0559 52.7820 40.4956 175.2228 *78 P 4.3362 0.0000 0.0000 62.3765 33.7261 178.6043 79 I 3.9642 7.7017 116.7121 62.4902 37.1110 175.1988 80 E 4.3308 7.1452 119.6189 57.5227 31.0433 175.6057 81 I 3.9140 7.3639 120.0412 61.2762 37.9523 175.8784 82 S 4.5269 8.5536 118.2703 58.3641 66.0230 173.6633 83 G 4.3414 10.5301 116.7206 45.0014 0.0000 172.8295 84 E 4.6673 7.1614 114.4552 55.8880 31.7572 173.8403 85 T 4.6644 8.1633 107.5605 60.6485 72.0358 173.0205 86 V 3.7119 7.6923 120.4847 61.8388 34.6747 175.5602 87 G 3.8725 8.0692 116.1284 46.8558 0.0000 172.1972 88 D 4.8786 9.2465 122.9081 52.6308 43.3621 176.0834 89 V 4.7551 8.0125 121.9720 59.2843 30.8900 174.0774 90 R 4.0234 8.1458 123.9951 56.5843 31.4540 174.7697 91 V 4.9007 8.3590 124.4995 61.3648 33.8423 174.5664 92 V 4.6360 8.8242 120.0736 59.6930 35.2838 175.8199 93 A 4.8515 9.1218 123.1759 53.9494 21.2182 177.4948 94 D 4.7227 7.8334 113.3164 54.1475 41.5498 177.1236 *96 H 4.8837 9.4324 116.2676 55.7532 31.2336 175.0967 97 E 4.0049 9.6408 119.9428 59.3735 29.0107 179.3873 98 R 3.8885 7.3601 116.3797 59.3249 30.2719 178.2361 99 K 4.0166 8.0523 116.2049 59.5913 32.4339 178.7098 100 A 4.4531 8.5992 121.0734 55.0082 18.3911 179.8483 101 A 4.2466 8.2804 116.3751 53.0438 18.2164 179.0801 *103 A 4.8396 7.9780 125.8937 53.9232 20.7115 179.9491 104 Q 4.1614 8.7899 116.5998 59.2813 29.2453 177.3227 105 E 4.1395 8.1677 115.9397 58.2589 29.8936 177.0089 106 A 4.1893 7.4201 120.9388 51.6505 19.2605 176.8684 107 E 4.5082 7.7088 119.0841 56.5959 30.8358 175.6030 108 A 4.0469 6.4960 119.3850 51.2136 22.5657 174.8965 109 F 5.0653 8.1631 116.7502 55.9857 44.1905 174.4625 110 I 4.7039 8.1436 120.4671 59.9496 41.5040 174.4302 111 A 5.0142 9.1203 130.6687 50.5130 19.1274 176.6311 112 L 4.6101 8.5291 121.2375 54.4254 42.7631 175.8410 113 P 4.0413 0.0000 0.0000 62.1910 31.5166 176.0486 114 G 4.1300 6.6532 107.9949 45.6731 0.0000 173.1877 115 G 3.8927 7.6347 109.6721 45.0512 0.0000 173.8359 116 Y 4.4349 8.6177 117.4013 61.4696 37.8928 178.3249 117 G 3.8048 8.3274 107.8767 48.9797 0.0000 175.8705 118 T 3.8177 7.6991 116.8865 63.4213 67.9476 176.3757 *120 E 4.1085 8.4155 122.8433 56.3856 31.3945 177.4955 121 E 3.2468 7.2235 115.2444 58.9782 29.4748 178.0276 122 L 4.1163 7.1705 119.0331 58.2196 42.3391 178.2892 123 L 4.0902 7.7898 117.8262 57.8279 41.9265 179.3761 124 E 4.0007 7.5552 117.8474 56.4296 29.0900 178.4805 *126 I 4.1156 7.9286 119.5136 61.1876 39.3297 178.1397 127 T 3.9832 8.0575 117.2075 66.5807 68.0716 176.7016 128 W 4.3118 8.8153 121.1983 59.8159 29.0376 178.8657 129 S 4.4814 8.1133 114.8259 61.6124 62.1674 176.2093 130 Q 4.0509 8.4825 121.7046 59.0930 28.9105 177.6032 131 L 4.4132 7.9618 116.6740 54.2372 41.7522 177.5294 132 G 3.9972 7.9483 106.5995 46.2051 0.0000 175.1044 133 I 3.7212 8.0720 122.3485 63.7628 37.0644 175.7313 134 H 5.1337 7.8871 111.8973 54.0521 31.6469 173.5048 135 K 4.6510 8.4900 119.6960 54.2628 31.4682 174.5004 136 K 4.7768 7.9989 119.0677 54.4949 36.2709 176.1370 137 T 3.9308 8.9270 121.5531 63.7983 70.1098 173.1823 138 V 4.4375 8.2698 124.9544 61.3083 34.1209 174.8539 139 G 4.9438 8.7690 115.6830 44.1555 0.0000 171.5831 140 L 5.0766 7.6689 113.4595 55.1073 42.9055 173.5268 141 L 4.3422 8.9261 127.5010 54.4025 42.5646 177.3810 142 N 4.9149 9.1370 131.3076 51.7269 37.9538 175.1672 143 V 3.6978 7.8798 119.4693 65.1161 32.2830 174.9194 144 D 4.4238 9.8515 125.8498 55.1321 39.7609 173.5015 145 G 4.4368 8.1868 102.5133 45.9902 0.0000 175.7733 146 Y 3.9211 8.6604 123.5115 60.5788 38.6664 177.5745 147 Y 4.5870 8.5674 114.7208 57.8982 38.3591 176.9752 148 N 4.3225 8.3585 120.6410 56.6029 38.6613 176.6145 149 N 4.4253 8.0016 117.0418 55.4254 38.7316 177.0282 150 L 3.7202 8.2870 122.4702 57.7535 42.1102 178.8393 151 L 3.8858 7.7130 118.2684 57.7132 41.5549 179.1577 152 A 4.1501 7.8355 120.2782 54.9727 18.1981 179.4590 153 L 3.8771 7.6106 118.7219 58.2448 42.1586 179.1850 154 F 4.5739 8.0445 118.0135 60.8152 38.8733 177.2102 155 D 4.4760 8.5764 118.7817 57.9486 40.6797 178.9429 156 T 4.5531 7.7991 117.7929 66.1215 68.4484 176.7447 157 G 3.8080 8.4232 107.6006 47.7415 0.0000 175.9580 158 V 4.5043 8.2464 122.2014 65.4553 31.6431 178.0795 159 E 4.1051 8.7969 117.4431 58.6254 29.0733 177.7173 160 E 4.5664 8.0645 117.6001 55.6260 30.0373 176.8767 161 G 3.7929 7.9904 107.8392 45.4356 0.0000 174.7067 162 F 4.5201 7.7741 117.4126 58.5462 39.5750 175.7832 163 I 4.5654 7.5135 121.4634 58.7157 40.2250 175.4050 164 K 4.6286 8.4439 124.6846 55.1792 34.4056 175.5263 165 P 4.3295 0.0000 0.0000 65.5477 30.9252 178.9191 166 G 4.0116 8.0779 104.2832 47.5121 0.0000 174.7531 167 A 4.1509 7.9626 122.4198 55.0359 18.4696 179.5887 168 R 3.7590 7.9123 116.7631 59.4036 29.6488 177.8914 169 N 4.5426 8.1835 115.2793 54.9128 38.3083 177.2230 170 I 4.0110 7.6949 123.4532 62.6762 37.4636 176.8378 171 V 3.6034 6.7481 119.3530 62.9561 32.1796 175.7905 172 V 4.2916 8.7446 127.7482 61.3342 33.6467 173.9703 173 S 5.2859 8.3966 121.1433 56.7425 66.0558 172.1097 174 A 4.7217 8.0317 121.7520 50.6972 22.3755 175.7288 175 P 4.7491 0.0000 0.0000 64.1755 32.4016 176.4756 176 T 4.6821 7.4720 108.5156 59.3564 71.7647 174.6436 177 A 4.0066 8.6453 125.8944 55.2572 18.8231 179.8481 178 K 4.2250 8.1013 115.6821 59.7463 32.6744 178.2019 179 E 4.6853 8.0179 120.6484 58.6112 29.3310 178.8597 180 L 4.0040 7.5220 116.8029 56.2051 42.8999 177.3688 *182 E 4.4449 8.1678 118.7123 56.0729 31.5090 177.7419 183 K 4.3897 8.4985 116.5849 57.0241 31.5994 178.3489 *185 E 4.4722 8.1432 121.8836 55.7971 31.0716 175.8960 186 E 4.6828 7.7203 115.7596 56.1427 30.1757 174.8088 187 Y 4.7533 7.9434 119.4137 56.3733 40.7468 175.4385 188 T 3.8867 6.7543 114.2888 61.9135 68.7178 173.4747 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 5 Q 8.34 4.26 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.01 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 6 R 8.22 4.03 0.00 1.86 1.84 0.00 3.23 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 7 S 7.90 4.65 0.00 3.86 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 8 R 7.91 4.21 0.00 1.64 1.80 0.00 3.06 0.00 0.00 2.68 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 9 F 7.49 5.12 0.00 3.08 2.87 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 10 R 9.73 4.67 0.00 1.80 2.14 0.00 2.72 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.58 0.00 11 K 8.25 4.91 0.00 1.65 1.66 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.45 7.81 12 I 8.45 4.49 1.74 0.00 0.00 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 0.68 0.77 0.67 0.00 0.00 13 C 8.25 4.68 0.00 3.00 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 14 V 8.12 4.60 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 0.80 0.00 0.00 0.83 0.00 0.00 15 F 8.77 5.07 0.00 3.02 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 16 C 8.26 5.00 0.00 2.96 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 17 G 7.75 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 0.00 0.00 0.00 0.00 18 S 8.44 5.07 0.00 3.81 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 19 H 7.86 4.96 0.00 3.04 3.08 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.73 4.44 0.00 3.89 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 21 G 7.90 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 22 H 8.50 4.41 0.00 3.22 3.37 0.00 5.70 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 23 R 8.01 4.27 0.00 2.06 1.88 0.00 3.14 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 24 E 8.84 4.12 0.00 1.97 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 2.42 2.32 0.00 25 V 7.73 3.54 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 0.22 0.00 0.00 0.69 0.00 0.00 26 F 7.69 4.14 0.00 3.24 3.07 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 27 S 8.12 4.20 0.00 4.02 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 28 D 8.25 4.37 0.00 2.86 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 29 A 8.04 3.94 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 30 A 8.03 3.95 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 31 I 7.67 3.65 1.99 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 1.51 0.78 0.90 0.00 0.00 32 E 8.10 3.95 0.00 2.20 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 2.32 2.44 0.00 33 L 8.19 4.03 0.00 1.75 1.80 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.89 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 35 N 8.40 4.36 0.00 2.92 2.88 0.00 0.00 7.08 7.32 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 36 E 8.40 4.07 0.00 2.11 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 2.56 2.60 0.00 37 L 8.03 3.97 0.00 1.84 1.86 0.86 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.31 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 1.15 0.00 0.00 0.96 0.00 0.00 39 K 8.24 3.88 0.00 1.76 1.88 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.66 7.81 40 R 7.41 4.49 0.00 1.99 1.99 0.00 3.44 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 41 K 8.06 3.80 0.00 1.90 1.89 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.54 7.81 42 I 8.04 4.70 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.68 0.90 0.00 0.00 43 D 8.78 4.67 0.00 2.67 2.83 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 44 L 9.03 5.06 0.00 1.66 1.48 0.86 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.13 5.06 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 1.03 0.00 0.00 0.97 0.00 0.00 46 Y 9.08 4.99 0.00 3.06 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 47 G 8.89 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 48 G 5.55 3.32 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 0.00 49 G 7.42 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 0.00 0.00 0.00 50 S 8.68 4.47 0.00 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0.00 2.40 2.42 0.00 131 L 7.96 4.41 0.00 1.68 1.67 0.94 0.78 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 0.00 132 G 7.95 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 0.00 133 I 8.07 3.72 1.85 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.42 0.29 0.00 0.00 134 H 7.89 5.13 0.00 3.32 3.36 0.00 5.50 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 8.49 4.65 0.00 1.81 1.86 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.49 7.81 136 K 8.00 4.78 0.00 1.61 1.69 0.00 1.85 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.50 7.81 137 T 8.93 3.93 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 0.94 0.00 0.00 138 V 8.27 4.44 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 1.00 0.00 0.00 1.05 0.00 0.00 139 G 8.77 4.94 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 0.00 0.00 0.00 140 L 7.67 5.08 0.00 1.74 1.67 0.75 0.42 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 0.00 141 L 8.93 4.34 0.00 1.70 1.72 1.01 1.05 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 0.00 142 N 9.14 4.91 0.00 2.95 2.92 0.00 0.00 6.39 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 0.00 143 V 7.88 3.70 2.32 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 0.43 0.00 0.00 1.08 0.00 0.00 144 D 9.85 4.42 0.00 2.58 2.55 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 0.00 0.00 0.00 0.00 145 G 8.19 4.44 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 0.00 0.00 0.00 146 Y 8.66 3.92 0.00 3.20 2.90 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 0.00 147 Y 8.57 4.59 0.00 3.29 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 0.00 148 N 8.36 4.32 0.00 2.94 2.90 0.00 0.00 7.01 6.78 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 0.00 149 N 8.00 4.43 0.00 2.61 2.77 0.00 0.00 6.82 6.74 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 0.00 150 L 8.29 3.72 0.00 1.72 1.73 0.67 0.51 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 0.00 151 L 7.71 3.89 0.00 1.75 1.77 1.01 1.18 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 0.00 152 A 7.84 4.15 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 0.00 153 L 7.61 3.88 0.00 1.81 1.64 0.93 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 0.00 154 F 8.04 4.57 0.00 3.30 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 0.00 155 D 8.58 4.48 0.00 2.90 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 0.00 156 T 7.80 4.55 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 157 G 8.42 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 0.00 158 V 8.25 4.50 2.30 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 1.09 0.00 0.00 0.99 0.00 0.00 159 E 8.80 4.11 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 2.54 2.40 0.00 160 E 8.06 4.57 0.00 2.22 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 0.00 2.62 2.59 0.00 161 G 7.99 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 162 F 7.77 4.52 0.00 3.16 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 0.00 163 I 7.51 4.57 1.97 0.00 0.00 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 1.48 1.00 0.91 0.00 0.00 164 K 8.44 4.63 0.00 1.81 1.75 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.54 7.81 165 P 0.00 4.33 0.00 2.17 2.07 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 166 G 8.08 4.01 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 0.00 0.00 0.00 167 A 7.96 4.15 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 0.00 168 R 7.91 3.76 0.00 1.99 2.14 0.00 3.16 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 169 N 8.18 4.54 0.00 3.13 2.97 0.00 0.00 6.88 7.09 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 0.00 170 I 7.69 4.01 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.69 0.89 0.00 0.00 171 V 6.75 3.60 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 0.78 0.00 0.00 0.71 0.00 0.00 172 V 8.74 4.29 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 0.89 0.00 0.00 0.54 0.00 0.00 173 S 8.40 5.29 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 0.00 174 A 8.03 4.72 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 0.00 175 P 0.00 4.75 0.00 2.21 2.21 0.00 3.91 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 2.00 1.97 0.00 176 T 7.47 4.68 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 0.00 177 A 8.65 4.01 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 0.00 178 K 8.10 4.23 0.00 1.77 1.85 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.50 7.81 179 E 8.02 4.69 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 2.34 2.20 0.00 180 L 7.52 4.00 0.00 1.75 1.81 0.96 0.78 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 *182 E 8.17 4.44 0.00 2.28 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 2.32 2.69 0.00 183 K 8.50 4.39 0.00 1.96 1.88 0.00 1.86 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.51 1.60 7.81 *185 E 8.14 4.47 0.00 2.06 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 2.23 2.32 0.00 186 E 7.72 4.68 0.00 2.20 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 2.28 2.39 0.00 187 Y 7.94 4.75 0.00 3.24 2.93 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 0.00 188 T 6.75 3.89 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 1.11 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.