NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 D 4.5777 8.3493 120.1942 54.7669 41.6720 174.7703 7 T 4.2723 8.3190 115.9490 60.1453 69.5105 172.9448 8 K 3.8975 9.0066 126.1692 56.7241 33.8207 177.3519 9 L 4.5510 8.1634 127.0017 54.0308 42.6494 176.0687 10 Y 4.3735 9.0121 122.8730 57.1689 40.5735 175.9263 11 C 3.9107 8.5596 122.6331 58.3735 32.1860 173.4573 12 I 3.9986 8.5420 113.0380 63.5353 37.3936 176.7428 13 C 4.2646 8.2294 113.8713 58.3415 30.4038 173.1882 14 K 3.9195 7.5072 119.4138 57.8114 29.3489 173.9203 15 T 4.8050 8.0582 109.1721 58.7309 72.4106 172.9777 16 P 4.9449 0.0000 0.0000 62.2231 32.0362 175.9406 17 Y 4.1368 8.8219 121.6040 58.0451 39.1781 174.6751 18 D 4.7199 8.4611 126.6134 52.0498 41.8869 176.1228 19 E 3.5973 8.3459 126.7958 58.0802 29.5524 178.7002 20 S 4.3668 8.1028 111.6289 58.9710 63.7045 174.2177 21 K 4.5664 7.7398 120.9332 54.6056 33.9713 175.3908 22 F 4.8053 8.5280 124.1101 58.1987 40.4883 173.8481 23 Y 4.9461 8.4157 122.6335 56.0069 41.5772 174.5782 24 I 4.5468 8.8809 122.3644 59.1616 41.3027 174.3272 25 G 3.2532 8.5109 115.7099 44.8120 0.0000 172.3743 26 C 4.8596 8.4173 124.9383 58.3410 32.3653 174.2896 27 D 4.5123 8.9755 126.6729 56.4429 40.9377 177.9275 28 R 4.0385 7.9501 119.2441 58.8039 29.4162 176.7916 29 C 4.3473 7.9054 110.6301 57.6649 30.6501 174.4582 30 Q 3.5649 8.0892 118.1033 56.6695 26.3978 172.7628 31 N 4.8636 7.3599 118.1516 52.5854 41.3861 173.4021 32 W 5.2274 8.5695 119.7213 54.9424 32.7188 174.5284 33 Y 5.1574 9.0973 120.6406 56.1218 41.6891 174.8126 34 H 4.0106 8.7904 120.3429 55.7001 29.5959 176.4668 35 G 3.9621 8.7548 112.1018 47.4785 0.0000 175.8950 36 R 4.0186 8.0427 120.5540 59.3633 29.9237 178.2022 37 C 4.3499 8.0129 115.0351 61.6354 28.1258 174.8141 38 V 4.2662 7.5580 111.2270 60.5807 31.8421 175.6641 39 G 3.9238 7.8106 106.8445 46.5081 0.0000 173.6418 40 I 4.6284 8.1603 120.9303 59.1195 39.2527 175.1678 41 L 4.4753 8.7289 125.4365 53.4918 43.8401 177.6653 42 Q 2.6613 8.1121 123.5741 59.0937 28.9363 178.9368 43 S 4.1518 7.7412 114.6041 61.3116 63.0869 175.9500 44 E 3.9730 7.9511 122.2749 58.9629 29.5107 178.2757 45 A 4.0734 8.2455 120.9785 55.3451 18.1099 179.3144 46 E 3.9867 7.6418 114.9830 59.2862 29.6016 178.5871 47 L 4.4111 7.7982 115.9665 53.9188 42.3016 176.3249 48 I 4.4228 7.1685 121.0031 59.6596 39.4142 172.8977 49 D 4.1600 8.8935 125.4129 55.8126 39.9961 176.2664 50 E 4.5338 8.9017 115.8260 55.6797 31.3340 174.8577 51 Y 4.8216 9.2547 127.7994 55.7282 41.7230 174.2614 52 V 4.3442 7.1367 125.4791 60.6047 33.9967 175.0447 53 C 4.0352 7.9787 121.7306 56.4750 30.5745 172.6409 54 P 4.1178 0.0000 0.0000 66.0505 30.8154 179.0137 55 Q 3.9503 7.8054 116.0892 59.1619 28.6122 178.4880 56 C 4.1280 7.8244 117.3214 62.7467 28.2661 175.7279 57 Q 3.8599 8.2747 121.6006 59.0325 28.5817 178.3057 58 S 4.0630 8.2323 114.4480 61.6268 62.2297 176.2871 59 T 3.8772 7.7402 117.3249 66.6838 68.2528 176.2144 60 E 4.0923 8.2518 119.8256 59.4513 29.5140 178.8702 61 D 4.5084 8.0011 117.8516 56.9855 41.0821 179.3704 62 A 4.2233 7.8136 120.8940 52.3036 18.6643 178.6687 *64 T 4.3446 7.9034 113.2452 63.2277 70.9043 175.2805 65 V 3.9587 7.6102 113.1280 62.0013 32.0994 177.0663 66 L 4.4978 7.6726 118.3683 55.1405 42.8826 176.9910 67 T 4.2070 7.6437 108.0526 60.2891 69.6126 172.4043 68 P 4.6610 0.0000 0.0000 62.9704 32.0853 176.0510 69 L 4.6066 8.4844 124.2101 54.9157 42.5490 177.1329 70 T 4.4733 9.4591 114.5482 60.3745 71.3937 175.7064 71 E 4.0581 8.7807 120.3349 59.4667 29.3717 179.7768 72 K 4.0282 8.0049 118.2259 59.4348 32.1116 178.8912 73 D 4.1509 8.0481 119.2514 57.6624 40.7547 178.5370 74 Y 3.7531 8.3355 117.2429 60.9620 37.9196 178.4328 75 E 4.2278 8.3252 119.6446 59.1757 29.4161 179.6132 76 G 3.7127 8.0366 105.9289 47.7293 0.0000 175.8196 77 L 3.5705 8.1876 121.6689 57.2878 41.4781 179.5512 78 K 4.0287 8.1129 119.5981 59.4362 32.1296 178.8879 79 R 3.9457 7.9026 118.6318 59.3645 30.0329 178.7280 80 V 3.7040 8.2149 118.3369 66.0020 31.5059 177.8913 81 L 4.1384 8.4186 119.0803 58.1799 41.6382 179.8419 82 R 4.3094 8.6157 119.5144 58.7416 29.7364 179.3189 83 S 4.3354 8.1164 113.4735 61.3355 63.3174 176.3779 84 L 4.2777 8.1258 122.6839 57.8824 41.1865 179.4349 85 Q 4.1258 8.6573 118.0035 58.3727 28.4154 177.7945 86 A 4.4243 7.7411 119.1375 51.7339 19.6008 176.9541 87 H 4.1605 7.4878 118.0521 55.4687 30.4041 177.0605 88 K 4.0335 8.2651 125.7230 56.4653 31.2896 177.7900 *90 A 4.5623 8.0944 122.0322 51.2104 20.4507 179.2896 91 W 4.3412 8.4900 112.4470 59.0742 27.8431 175.7266 92 P 3.9093 0.0000 0.0000 63.5780 30.9188 176.6198 93 F 4.9124 7.5743 116.3027 57.0209 39.7345 177.2971 94 L 4.0456 7.9303 123.2608 57.1884 41.6678 176.6123 95 E 4.8855 7.6363 114.8786 53.3355 33.6207 173.2377 96 P 4.3160 0.0000 0.0000 62.6256 31.8765 176.9309 97 V 3.3821 8.0203 121.5264 62.8127 32.1130 174.8402 98 D 4.6686 8.3781 126.3938 52.7298 41.8968 174.8729 99 P 4.4749 0.0000 0.0000 66.1943 31.1036 178.1645 100 N 4.4532 8.5795 113.7676 55.4069 38.5036 176.1205 101 D 5.0079 8.3198 118.7645 53.5600 42.3215 176.2108 102 A 4.5231 7.5367 121.8318 49.1712 20.1711 173.1490 103 P 4.4728 0.0000 0.0000 65.4849 31.9126 176.0886 104 D 4.4962 9.1416 121.2681 54.9437 40.2539 174.8478 105 Y 3.5803 7.9487 118.4670 60.5116 38.6076 177.6250 106 Y 4.0709 7.9718 113.4554 59.1385 38.1030 176.4346 107 G 4.1506 7.8557 107.8086 45.2215 0.0000 174.8867 108 V 4.0227 7.5272 118.2052 63.6631 32.7758 175.3679 109 I 4.1175 7.3863 121.6344 59.4796 37.0452 175.7401 110 K 4.1971 8.4277 125.9132 58.2168 32.4903 177.5273 111 E 4.5652 7.5739 117.3966 53.2237 29.5896 172.9669 112 P 4.3784 0.0000 0.0000 62.0897 32.6469 175.7783 *114 D 4.3878 8.1022 117.4074 52.8018 40.1539 175.6424 115 L 3.9953 8.5762 119.4911 57.6375 42.0167 179.1322 116 A 4.1684 8.0496 122.0719 55.5185 18.6293 180.0908 117 T 3.8169 8.1055 110.9599 64.0868 67.9680 176.0655 *119 E 4.3679 8.2871 124.7132 56.3004 31.6294 177.3901 120 E 3.9821 8.2135 119.0136 59.3064 29.5573 179.0408 121 R 3.8235 8.0864 118.2319 59.0415 30.0353 179.2137 122 V 4.1035 8.0194 117.7030 66.2073 31.4720 177.5442 123 Q 4.1275 8.2330 118.4754 58.7910 28.8709 177.6673 124 R 4.4301 7.7963 114.3930 55.0237 30.7376 176.4189 125 R 4.0368 7.8570 115.2008 56.8355 28.1752 176.8948 126 Y 4.0990 8.5163 119.4984 60.2754 39.3896 175.3521 127 Y 4.7246 8.0292 116.8384 57.4776 39.0954 174.8603 128 E 4.7432 10.1667 122.8734 56.3603 31.9147 176.0891 129 K 5.0721 7.8874 116.9260 53.3447 36.3469 176.8904 130 L 3.9281 8.5823 122.8564 58.5406 41.9614 179.2689 131 T 3.8360 8.1070 113.1536 65.1809 67.2702 175.8773 132 E 4.1290 8.2835 120.5552 59.0811 29.2962 179.0091 133 F 3.1845 7.9297 119.4770 61.0292 39.6109 176.8990 134 V 3.7848 7.9516 116.6002 65.8840 31.5587 177.4906 135 A 4.1628 8.0870 120.5657 55.0819 18.2970 179.8732 136 D 4.0743 7.6486 114.2060 55.4319 40.5765 178.5536 *138 T 4.2425 7.9061 118.8614 63.4806 70.7244 176.3116 139 K 3.8062 7.6843 122.0019 59.3136 32.1603 178.8299 140 I 3.4120 6.9951 119.5409 64.4414 36.9530 178.4980 141 F 4.2279 6.9880 117.8645 60.5510 38.8515 177.4908 142 D 4.3870 8.4469 119.0401 57.2864 40.5894 178.5447 143 N 4.3637 8.4856 117.5370 56.3631 38.4718 176.9897 144 C 4.3162 7.9932 119.5620 62.7519 31.5774 175.8017 145 R 3.8282 7.8661 117.5495 58.3740 29.6050 177.7352 146 Y 4.3577 7.6240 118.6327 60.2220 39.1106 176.2726 147 Y 4.1364 8.2713 119.5687 58.9588 39.4434 175.1782 148 N 4.8523 7.8675 116.2868 50.5199 40.6765 173.2286 149 P 4.4219 0.0000 0.0000 62.4434 31.9988 177.6073 150 S 2.7900 8.3595 114.7042 60.0031 62.7899 174.5794 151 D 4.7076 7.7458 118.9533 52.9623 39.9608 176.7090 152 S 4.6524 7.8562 116.3909 57.2291 65.6765 173.3486 153 P 4.3337 0.0000 0.0000 65.9968 31.0713 178.7926 154 F 4.0484 8.0765 117.3130 60.6088 38.9679 176.6415 155 Y 4.1295 8.1195 119.1635 60.9948 38.5402 178.2246 156 Q 4.2046 8.3329 118.5817 59.2240 28.7236 178.4704 157 C 4.1620 8.7316 118.0644 62.7603 28.1332 176.0845 158 A 3.8522 8.1395 121.9823 55.0461 17.9073 179.5344 159 E 3.7535 7.9430 116.9865 59.3991 29.5361 179.8207 160 V 3.5488 7.9860 118.3955 66.1214 31.6917 178.1346 161 L 3.8657 7.9056 118.8923 57.6361 41.3073 179.1905 162 E 3.4506 7.3193 119.2823 58.8912 29.2990 178.8203 163 S 4.0384 7.7457 112.9851 61.2286 62.4689 175.9277 164 F 4.0944 8.4018 123.4597 61.1440 39.1892 176.8305 165 F 4.3098 8.8868 120.7414 61.4217 39.0309 177.0733 166 V 3.2694 7.7434 116.5854 66.0939 31.6283 177.4606 167 Q 3.9611 7.7009 119.1290 59.0696 28.6653 178.2476 168 K 3.7862 7.4813 118.5050 58.9823 32.3580 178.3837 169 L 4.0131 7.4633 119.3456 55.0574 42.0699 176.6702 170 K 4.0233 7.1488 118.6438 58.1283 32.3021 176.7334 171 G 3.9353 8.7850 111.5160 46.6189 0.0000 175.0943 172 F 4.2134 8.2764 122.3744 60.3231 39.6586 175.1539 173 K 3.9660 7.9514 122.4676 56.3496 32.2690 175.9546 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 6 D 8.35 4.58 0.00 2.67 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 7 T 8.32 4.27 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 1.21 0.00 0.00 8 K 9.01 3.90 0.00 1.55 1.39 0.00 1.57 0.00 0.00 1.09 0.00 0.00 2.60 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.55 1.08 7.81 9 L 8.16 4.55 0.00 1.49 1.47 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 9.01 4.37 0.00 3.00 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 11 C 8.56 3.91 0.00 3.17 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 12 I 8.54 4.00 1.99 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 1.65 0.82 1.24 0.00 0.00 13 C 8.23 4.26 0.00 3.17 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 14 K 7.51 3.92 0.00 1.91 1.88 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.52 7.81 15 T 8.06 4.81 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 1.28 0.00 0.00 16 P 0.00 4.94 0.00 2.13 2.09 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 17 Y 8.82 4.14 0.00 2.86 2.85 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 18 D 8.46 4.72 0.00 2.70 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 19 E 8.35 3.60 0.00 1.86 1.96 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 2.40 2.09 0.00 20 S 8.10 4.37 0.00 3.97 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 21 K 7.74 4.57 0.00 1.85 1.61 0.00 1.61 0.00 0.00 1.37 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.33 1.41 7.81 22 F 8.53 4.81 0.00 3.14 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 23 Y 8.42 4.95 0.00 2.67 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 24 I 8.88 4.55 1.57 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.56 0.53 0.00 0.00 25 G 8.51 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.42 4.86 0.00 3.19 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 27 D 8.98 4.51 0.00 2.66 2.67 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 28 R 7.95 4.04 0.00 1.66 1.87 0.00 3.23 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 29 C 7.91 4.35 0.00 3.17 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 30 Q 8.09 3.56 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 31 N 7.36 4.86 0.00 2.97 2.66 0.00 0.00 7.00 7.83 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 32 W 8.57 5.23 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 33 Y 9.10 5.16 0.00 3.02 2.91 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 34 H 8.79 4.01 0.00 3.05 3.03 0.00 5.66 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 35 G 8.75 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 0.00 0.00 0.00 36 R 8.04 4.02 0.00 1.92 1.94 0.00 3.18 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 37 C 8.01 4.35 0.00 3.26 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 38 V 7.56 4.27 2.15 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 0.66 0.00 0.00 1.08 0.00 0.00 39 G 7.81 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 40 I 8.16 4.63 1.90 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 1.33 1.18 0.97 0.00 0.00 41 L 8.73 4.48 0.00 1.66 1.49 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.11 2.66 0.00 0.93 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 7.08 0.00 0.00 0.00 0.00 0.00 1.97 1.59 0.00 43 S 7.74 4.15 0.00 4.03 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 44 E 7.95 3.97 0.00 2.04 2.15 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 2.40 2.39 0.00 45 A 8.25 4.07 1.54 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 0.00 0.00 46 E 7.64 3.99 0.00 2.13 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 0.00 2.35 2.49 0.00 47 L 7.80 4.41 0.00 1.77 1.71 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.17 4.42 2.04 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 1.25 0.74 1.06 0.00 0.00 49 D 8.89 4.16 0.00 2.65 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 50 E 8.90 4.53 0.00 2.02 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 2.24 2.45 0.00 51 Y 9.25 4.82 0.00 3.08 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 52 V 7.14 4.34 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 0.70 0.00 0.00 0.78 0.00 0.00 53 C 7.98 4.04 0.00 2.34 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 54 P 0.00 4.12 0.00 2.09 2.10 0.00 3.28 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 55 Q 7.81 3.95 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 56 C 7.82 4.13 0.00 2.96 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 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0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.64 4.21 4.25 0.00 0.00 0.00 0.00 0.00 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 68 P 0.00 4.66 0.00 1.98 2.06 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 69 L 8.48 4.61 0.00 1.83 1.75 0.93 0.89 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 70 T 9.46 4.47 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 71 E 8.78 4.06 0.00 2.02 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 2.40 2.34 0.00 72 K 8.00 4.03 0.00 1.72 1.78 0.00 1.65 0.00 0.00 1.97 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.44 7.81 73 D 8.05 4.15 0.00 3.06 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 74 Y 8.34 3.75 0.00 3.24 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.44 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.44 0.00 93 F 7.57 4.91 0.00 3.00 2.84 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 0.00 0.00 0.00 94 L 7.93 4.05 0.00 1.75 1.76 1.01 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 95 E 7.64 4.89 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 2.22 2.26 0.00 96 P 0.00 4.32 0.00 2.06 2.05 0.00 3.68 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 2.03 2.34 0.00 97 V 8.02 3.38 1.09 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 -0.05 0.00 0.00 0.10 0.00 0.00 98 D 8.38 4.67 0.00 2.70 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 99 P 0.00 4.47 0.00 2.26 2.25 0.00 3.70 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.52 0.00 100 N 8.58 4.45 0.00 2.81 2.90 0.00 0.00 6.98 7.68 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 D 7.65 4.07 0.00 2.68 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 *138 T 7.91 4.24 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 1.25 0.00 0.00 139 K 7.68 3.81 0.00 1.84 1.85 0.00 1.55 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.38 7.81 140 I 7.00 3.41 0.75 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 1.23 0.53 0.16 0.00 0.00 141 F 6.99 4.23 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 0.00 142 D 8.45 4.39 0.00 2.66 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 0.00 143 N 8.49 4.36 0.00 2.90 2.91 0.00 0.00 6.63 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 0.00 144 C 7.99 4.32 0.00 3.37 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 0.00 145 R 7.87 3.83 0.00 1.73 1.76 0.00 2.75 0.00 0.00 2.83 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.36 0.00 146 Y 7.62 4.36 0.00 3.07 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 0.00 147 Y 8.27 4.14 0.00 3.01 3.12 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 0.00 0.00 0.00 0.00 148 N 7.87 4.85 0.00 3.08 2.92 0.00 0.00 7.08 8.26 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 0.00 149 P 0.00 4.42 0.00 2.34 2.12 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.94 0.00 150 S 8.36 2.79 0.00 3.38 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 D 7.75 4.71 0.00 2.74 2.70 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 0.00 152 S 7.86 4.65 0.00 4.31 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 0.00 153 P 0.00 4.33 0.00 2.20 2.34 0.00 3.75 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 1.80 1.99 0.00 154 F 8.08 4.05 0.00 3.20 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 0.00 155 Y 8.12 4.13 0.00 3.18 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 0.00 156 Q 8.33 4.20 0.00 2.38 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 157 C 8.73 4.16 0.00 3.17 3.06 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 0.00 158 A 8.14 3.85 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 0.00 159 E 7.94 3.75 0.00 2.24 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 2.46 2.66 0.00 160 V 7.99 3.55 2.22 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 1.08 0.00 0.00 1.04 0.00 0.00 161 L 7.91 3.87 0.00 1.66 1.42 1.14 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 162 E 7.32 3.45 0.00 1.16 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 2.23 2.34 0.00 163 S 7.75 4.04 0.00 3.97 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 0.00 164 F 8.40 4.09 0.00 3.28 3.21 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 0.00 165 F 8.89 4.31 0.00 3.34 3.36 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 0.00 166 V 7.74 3.27 2.16 0.00 0.00 0.00 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 1.03 0.00 0.00 167 Q 7.70 3.96 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.56 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 168 K 7.48 3.79 0.00 1.79 1.73 0.00 1.78 0.00 0.00 1.55 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.94 1.52 7.81 169 L 7.46 4.01 0.00 1.35 1.35 0.41 -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 0.00 0.00 0.00 0.00 170 K 7.15 4.02 0.00 1.88 1.70 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.48 7.81 171 G 8.79 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 0.00 0.00 0.00 172 F 8.28 4.21 0.00 3.06 3.06 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 0.00 173 K 7.95 3.97 0.00 1.77 1.61 0.00 2.00 0.00 0.00 2.02 0.00 0.00 3.00 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.37 1.68 7.81 * Residues marked with a * may have inaccurate shift predictions.