NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7381 8.3501 109.7393 45.2740 0.0000 172.4012 *20 A 4.1840 8.2777 121.0618 51.5405 19.6286 176.7267 21 E 4.0832 8.7927 121.1004 57.3357 30.2156 178.5002 22 R 4.3095 8.6763 121.3991 58.6976 31.5719 176.3965 23 T 5.1962 7.7721 114.8263 62.0509 72.5034 173.3440 24 I 4.4171 8.6485 127.9190 59.2378 38.6607 174.7284 25 Q 4.4963 8.6436 129.5419 55.5029 29.4498 175.1206 26 L 4.7968 8.1908 126.6780 52.4414 43.6327 174.9507 27 P 4.4847 0.0000 0.0000 62.0844 32.0632 176.3638 28 K 3.6371 8.2763 119.1493 55.5667 32.4054 175.6109 29 P 4.3465 0.0000 0.0000 62.7372 31.8178 175.6249 30 D 4.3559 8.6286 121.1372 53.2633 42.5103 175.7627 *32 N 4.5780 8.3897 116.5701 52.4774 40.1273 173.5873 33 R 3.8348 8.1513 115.3152 56.6032 30.4546 175.9025 34 A 4.0123 8.4008 127.1577 52.4250 19.0131 175.2937 35 G 3.1625 8.6605 105.5394 43.7747 0.0000 173.7963 36 L 4.1127 8.3103 129.6894 54.4047 42.8833 178.1347 37 L 3.9294 8.3410 125.6447 55.3538 41.7210 178.5181 *39 K 4.1631 8.2196 119.9185 55.8213 33.9336 177.3626 40 A 4.0902 7.9188 121.0822 54.5472 18.3606 179.2703 41 L 4.0920 8.2914 117.7908 58.0978 41.5102 179.6810 42 S 4.1176 8.0352 111.2614 60.7515 62.4130 174.8819 43 E 4.5707 7.7520 118.0485 54.7279 29.8620 176.0150 44 R 4.0530 7.2796 121.5413 56.7100 30.4554 175.2151 45 H 4.7320 8.2643 118.6106 54.9951 30.8565 173.0935 46 S 4.7639 8.5135 116.6894 58.0534 63.7568 174.1807 47 T 4.6116 8.7048 121.0175 62.0833 71.4526 174.2473 48 R 4.4271 8.1705 123.3494 54.5767 30.8854 175.2581 49 E 4.5383 7.0097 115.3424 54.9718 33.1967 174.4589 50 Y 4.7775 7.9926 117.4051 56.0165 42.1476 174.8589 51 A 4.2355 8.7995 126.9693 52.4771 19.0699 178.1806 52 S 4.4283 8.6016 114.5105 60.2665 63.8353 175.4318 53 K 4.1730 7.9536 119.2475 56.1029 33.0461 176.5784 54 A 4.1875 8.3866 123.7933 51.9154 19.0170 177.6447 55 L 4.1911 8.2259 121.0382 54.4141 42.4754 178.3032 56 S 4.4226 8.9895 117.7345 58.6098 64.8599 175.5487 57 N 4.3491 8.6678 119.9101 56.4403 38.3147 177.9703 58 T 3.8713 7.8644 117.0929 66.7915 68.5742 176.2533 59 D 4.5210 8.2511 120.8395 57.2431 40.8781 178.6006 60 L 3.8402 8.1824 121.1231 57.9408 42.0764 178.9669 61 S 4.0198 8.2910 113.3456 61.5972 62.3197 175.9277 62 D 4.3163 8.0847 121.5275 57.0404 40.4615 178.4310 63 L 2.6112 7.5899 120.9217 57.8489 42.0573 179.1698 64 L 3.5075 7.5646 118.7138 57.1643 41.3046 179.3594 65 W 4.0171 8.0705 128.0952 60.3232 30.4572 177.7566 66 A 3.6731 7.9758 119.4801 54.9931 17.8416 179.0674 67 A 4.0197 7.5086 117.9875 54.3529 18.8442 179.9436 68 N 4.5099 7.0788 112.4024 52.7266 40.0489 174.6781 69 G 3.6900 7.6926 106.8582 45.2724 0.0000 173.4332 70 I 4.4155 8.2660 120.8163 60.7617 37.1551 175.9892 71 N 5.0683 8.6262 122.8068 52.9078 38.3559 175.5400 72 R 4.5313 7.5622 117.6647 54.2372 31.7647 175.6335 73 S 4.1718 8.7944 119.3347 61.4447 63.1905 176.5848 74 S 4.2593 8.1135 113.2417 60.9211 62.6987 174.8577 75 E 4.1820 8.2532 119.0367 55.9122 29.9066 177.2257 76 G 3.9080 7.8762 106.3447 46.2486 0.0000 173.7406 77 K 4.5123 7.2485 115.8902 55.1738 34.3272 175.7763 78 R 5.1068 8.1338 119.8627 54.3206 32.7199 176.4059 79 T 3.8522 8.6447 110.8369 64.1111 69.8382 174.0071 80 A 4.8682 7.6125 123.9983 49.1928 20.1275 175.7140 81 P 4.4436 0.0000 0.0000 62.8553 32.2262 175.6044 82 S 4.8867 8.2814 111.4421 55.8693 66.1348 174.9061 83 A 4.0970 8.6262 125.2881 51.9922 17.3402 178.1601 *85 N 4.7564 8.0235 114.5058 54.7581 40.2394 175.1962 86 R 4.0211 8.2112 116.6040 56.4530 30.8832 176.6267 87 Q 3.4147 7.9666 116.8053 56.9782 26.4163 174.1225 88 D 4.5341 7.7534 116.9748 55.5551 41.4647 177.1165 89 I 4.4907 7.7001 120.6227 60.6611 37.9225 174.9653 90 D 4.8846 9.0771 127.7655 52.9127 43.3584 175.7894 91 I 4.8808 8.2185 122.6127 60.0365 39.6534 174.0243 92 Y 4.8738 9.0140 125.7803 56.6882 40.0897 175.0823 93 V 4.6994 9.2114 123.9898 61.3407 34.1459 174.6290 94 V 4.5818 9.0030 130.1786 61.7293 32.4714 174.6639 95 L 4.9491 8.6368 128.0227 52.1211 44.4688 176.1584 96 P 4.2343 0.0000 0.0000 65.7383 31.5592 177.9957 97 Q 4.2016 8.1341 114.8856 56.8077 29.5643 175.2643 98 G 4.6640 7.2132 106.7529 46.3672 0.0000 171.7637 99 T 5.3179 8.1827 117.6242 62.2096 70.5705 173.9761 100 Y 5.1021 9.3383 123.1884 56.0332 42.6347 174.0126 101 L 4.7345 8.7218 123.1992 53.1068 44.7718 174.8987 102 Y 4.6709 8.9297 128.8135 57.8606 40.2610 173.8113 103 D 4.5208 8.8829 127.3280 52.3508 42.1432 176.6636 104 A 3.5402 7.8882 130.4263 54.6504 18.8777 179.5227 105 K 3.9099 8.1589 114.7035 58.8929 32.1826 177.9513 106 G 3.7613 7.7056 105.1263 44.8258 0.0000 173.3730 107 H 4.2126 7.9642 115.1294 55.5957 27.8085 172.7411 108 K 5.0974 8.0315 119.8800 56.2683 37.4451 176.5471 109 L 5.2957 9.0152 120.4191 53.0826 44.7611 175.3940 110 N 5.4643 8.9886 121.1718 51.1879 41.0773 174.0955 111 L 3.4771 8.7038 126.5180 55.4178 42.2775 175.8995 112 I 4.3090 8.4262 126.7195 62.6428 39.1187 176.3805 113 S 4.4736 7.3559 114.6740 56.9986 65.4945 173.7999 114 E 4.2198 8.8223 127.0426 57.5019 30.4549 177.3062 115 G 3.7461 9.0326 107.9966 45.1633 0.0000 171.9599 116 D 4.7005 8.0414 117.9908 53.4707 41.2620 175.3132 117 H 4.9608 8.3898 123.5627 55.6388 29.6559 176.6379 118 R 3.9000 8.3815 122.6056 59.5855 29.7110 179.0105 119 S 4.0581 8.0706 114.2653 61.4034 62.5867 176.3625 120 A 3.9883 7.5464 123.0731 55.0577 18.1462 179.5658 121 V 3.6154 7.6431 115.3749 65.9166 32.0127 177.6571 122 A 3.9212 8.2012 120.9349 53.1412 18.3992 178.6484 123 G 3.5756 8.4048 105.0335 47.0549 0.0000 175.9134 124 G 3.6615 8.8380 113.3335 46.3370 0.0000 173.6543 125 Q 4.4243 7.8714 120.3097 53.8423 29.2704 175.7259 126 A 4.0446 8.4119 128.3211 54.5965 18.5357 178.7248 127 F 4.3178 8.2958 113.0706 60.2314 37.6964 177.6729 128 V 3.4058 6.8953 118.2488 65.6942 30.9941 177.4597 129 N 4.4642 7.7138 114.5162 55.4168 38.4002 176.4338 130 N 4.5505 8.0824 117.0243 54.2308 39.1549 175.2309 131 A 3.9403 7.1413 123.9464 50.6179 19.0439 176.0475 132 P 4.4289 0.0000 0.0000 64.7981 32.0298 176.7426 133 V 4.7355 7.2151 117.4372 60.3957 34.7229 173.7627 134 S 5.0897 8.8320 118.3363 56.8166 66.6978 172.8026 135 L 4.9773 8.9229 124.2345 53.2881 43.7920 175.5123 136 V 4.6055 9.0498 124.0663 61.0959 34.0179 174.1238 137 L 5.0453 8.6430 128.1981 53.4863 42.8449 175.9832 138 V 4.3887 8.7537 124.8503 60.9817 34.3250 174.1156 139 S 4.8157 8.6466 122.9453 57.3930 64.1196 172.7009 140 D 4.9147 9.1091 128.2035 52.8558 39.8474 176.4519 141 L 4.0803 8.6601 126.9915 57.2360 41.4229 179.2099 142 S 4.4372 8.0763 115.5771 60.7838 62.8757 176.1667 143 K 4.1024 8.1379 120.2341 58.4556 31.7782 178.1321 144 L 4.5889 9.2947 117.7491 55.6113 42.9636 177.2873 145 G 3.7045 8.0328 106.9455 44.9307 0.0000 172.1537 146 D 4.5959 8.4257 124.6388 53.6832 41.1834 177.3592 147 A 3.9941 8.7020 130.7554 55.0057 18.4255 177.9979 148 K 4.2381 8.2106 113.1005 57.2129 32.8174 177.6343 149 S 4.3699 8.0394 115.4734 57.7688 63.8622 174.3434 150 N 4.3565 8.7418 126.3623 56.6786 38.2139 177.0114 151 H 4.1006 8.1568 118.3533 59.1986 30.0671 176.9922 152 V 3.6961 7.5426 118.8072 66.1466 31.6145 177.7197 153 Q 4.1909 8.1141 117.7953 58.6562 28.2678 179.3356 154 L 4.4172 7.8319 118.6562 54.8360 41.9062 178.5274 *156 G 3.9560 8.1697 109.7874 45.0986 0.0000 176.3777 157 A 4.2443 8.0264 119.9499 52.7582 17.3731 178.7792 *159 D 4.5408 8.2133 121.0822 55.8268 43.0753 178.0876 160 A 4.1586 8.3060 121.0836 55.0356 18.2972 179.9438 161 G 3.6076 8.2192 104.3535 47.7426 0.0000 175.9201 162 I 3.6954 7.7322 121.6257 64.3772 37.2272 178.4358 163 V 3.5433 7.5836 118.3614 65.9220 31.2563 177.7322 164 S 4.0651 8.4378 113.3419 61.7517 62.1630 176.1514 165 Q 4.0132 8.2758 121.8384 58.7738 28.6932 177.5476 166 N 4.2930 7.9958 117.4951 56.4244 38.5313 177.1924 167 I 3.6870 7.6639 120.7422 64.6485 37.2199 178.6499 168 S 4.1759 8.3578 116.2323 61.7229 62.5951 176.9466 169 L 4.0533 8.2870 121.8212 57.5434 41.3344 179.1753 170 F 4.0027 8.4447 120.7297 61.5861 39.3213 176.9517 171 C 4.1341 8.5292 116.5543 62.8105 27.3975 176.1213 172 S 4.1455 8.1771 114.5272 61.3928 61.8020 176.1171 173 A 3.9845 7.9323 122.1751 54.6082 18.2236 178.5520 174 A 4.0848 7.7592 116.5135 50.9376 19.8908 176.7617 175 R 4.0293 7.5614 115.4843 57.7672 28.8335 175.6547 176 L 4.8325 8.1735 116.4032 52.7379 44.8317 177.7211 177 A 3.7549 8.2495 125.1540 51.7719 19.8280 176.4635 178 T 5.4445 8.4302 115.1236 61.8062 71.2499 172.4347 179 V 4.9140 8.1950 123.5560 59.3916 34.8331 172.2405 180 P 4.2455 0.0000 0.0000 62.6544 31.9892 175.7928 181 R 4.8249 8.7579 121.5927 54.6004 33.5835 175.0916 182 A 4.5283 8.7791 123.0491 52.4017 20.6463 177.4621 183 S 4.2838 7.7002 111.3460 57.6922 64.1210 174.3667 *185 D 4.2967 8.2749 121.1053 54.0758 41.5835 175.9973 186 L 3.9567 8.1559 127.9042 57.4274 41.6547 179.5072 187 V 3.5329 7.7310 117.7992 66.1886 31.5563 178.2678 188 R 3.9293 8.2490 117.8427 58.9869 29.7824 178.8685 189 L 3.8428 8.2554 120.7631 57.6375 42.0639 178.5478 190 K 3.6757 8.2861 119.9259 59.5846 31.9067 178.4246 191 A 3.8696 7.7084 120.0779 55.2303 18.1358 179.4856 192 A 3.6682 7.9117 119.1132 54.8002 18.4714 178.3655 193 L 4.2038 7.8393 112.8805 53.7702 42.3801 176.4204 194 K 3.7725 7.2421 117.5623 57.2424 30.0029 175.5975 195 L 4.3884 7.5836 117.3032 54.1650 42.8593 178.0909 196 K 4.3221 9.0769 122.3681 55.8429 32.7907 178.1455 197 D 4.3612 8.5757 120.5290 57.4425 41.0214 177.7997 198 T 4.2141 7.8738 107.2808 61.9879 69.3852 174.3575 199 Q 4.9248 7.5102 121.4223 53.4230 30.8453 172.0115 *201 P 4.0619 0.0000 0.0000 62.6367 32.5431 175.2590 *204 N 4.7713 8.0819 114.9868 53.5939 39.2347 173.5946 205 H 5.2665 9.0692 116.1821 52.1966 32.3266 171.2305 206 P 4.6999 0.0000 0.0000 61.9968 32.7216 175.9335 207 V 4.7695 8.5067 123.0956 61.5037 35.5039 174.3089 208 G 4.1353 8.4871 112.4165 45.4449 0.0000 171.9157 209 Y 4.6984 8.0684 117.0563 57.3751 39.2796 176.1812 210 F 4.4219 8.8273 120.8104 57.3535 39.7453 175.8135 211 K 4.2591 8.7286 122.7267 57.2581 32.5527 176.7621 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 0 G 8.35 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 0.00 0.00 0.00 *20 A 8.28 4.18 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 21 E 8.79 4.08 0.00 2.17 2.14 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 2.45 2.41 0.00 22 R 8.68 4.31 0.00 1.80 2.00 0.00 3.09 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 1.73 1.68 0.00 23 T 7.77 5.20 4.27 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 1.28 0.00 0.00 24 I 8.65 4.42 1.57 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.88 0.79 0.00 0.00 25 Q 8.64 4.50 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 26 L 8.19 4.80 0.00 1.82 1.60 0.92 1.51 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 27 P 0.00 4.48 0.00 2.15 2.05 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 28 K 8.28 3.64 0.00 1.92 1.64 0.00 1.87 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.00 7.81 29 P 0.00 4.35 0.00 1.64 1.97 0.00 3.50 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.87 0.00 30 D 8.63 4.36 0.00 2.56 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 *32 N 8.39 4.58 0.00 2.69 2.90 0.00 0.00 6.81 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 33 R 8.15 3.83 0.00 2.05 1.97 0.00 3.73 0.00 0.00 3.45 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 34 A 8.40 4.01 1.25 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 35 G 8.66 3.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.31 4.11 0.00 1.74 1.54 0.93 0.54 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 37 L 8.34 3.93 0.00 1.79 1.62 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 *39 K 8.22 4.16 0.00 1.85 1.82 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.44 7.81 40 A 7.92 4.09 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.29 4.09 0.00 1.69 1.74 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.04 4.12 0.00 3.86 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 0.00 43 E 7.75 4.57 0.00 2.08 1.98 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 2.25 2.44 0.00 44 R 7.28 4.05 0.00 2.07 1.89 0.00 3.51 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 45 H 8.26 4.73 0.00 3.28 3.22 0.00 5.57 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.51 4.76 0.00 3.89 3.83 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 47 T 8.70 4.61 4.11 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 1.12 0.00 0.00 48 R 8.17 4.43 0.00 1.16 0.66 0.00 2.86 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.27 0.00 49 E 7.01 4.54 0.00 1.67 1.64 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 2.12 2.15 0.00 50 Y 7.99 4.78 0.00 3.17 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 51 A 8.80 4.24 1.45 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 52 S 8.60 4.43 0.00 4.04 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 0.00 53 K 7.95 4.17 0.00 1.96 1.92 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.57 1.69 7.81 54 A 8.39 4.19 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 55 L 8.23 4.19 0.00 1.59 1.57 0.80 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.99 4.42 0.00 4.11 4.11 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 57 N 8.67 4.35 0.00 2.84 2.90 0.00 0.00 6.86 7.05 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 58 T 7.86 3.87 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 1.25 0.00 0.00 59 D 8.25 4.52 0.00 2.94 2.82 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 0.00 0.00 0.00 60 L 8.18 3.84 0.00 1.70 1.75 0.81 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.29 4.02 0.00 4.00 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 62 D 8.08 4.32 0.00 2.82 2.80 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 63 L 7.59 2.61 0.00 1.52 1.67 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.56 3.51 0.00 1.25 0.20 0.69 0.24 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 65 W 8.07 4.02 0.00 3.41 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 66 A 7.98 3.67 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 67 A 7.51 4.02 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 68 N 7.08 4.51 0.00 2.60 2.78 0.00 0.00 7.13 7.70 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 69 G 7.69 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 0.00 0.00 0.00 70 I 8.27 4.42 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 79 T 8.64 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 0.21 0.00 0.00 80 A 7.61 4.87 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 81 P 0.00 4.44 0.00 2.18 2.05 0.00 3.71 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 1.97 1.94 0.00 82 S 8.28 4.89 0.00 4.04 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 83 A 8.63 4.10 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 *85 N 8.02 4.76 0.00 2.70 2.86 0.00 0.00 7.28 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 86 R 8.21 4.02 0.00 1.89 2.04 0.00 3.75 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 87 Q 7.97 3.41 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.01 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 88 D 7.75 4.53 0.00 2.73 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 89 I 7.70 4.49 1.87 0.00 0.00 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 1.35 0.98 0.93 0.00 0.00 90 D 9.08 4.88 0.00 2.81 2.43 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 91 I 8.22 4.88 1.94 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 1.36 0.88 0.89 0.00 0.00 92 Y 9.01 4.87 0.00 2.94 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 93 V 9.21 4.70 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 1.00 0.00 0.00 0.93 0.00 0.00 94 V 9.00 4.58 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 0.96 0.00 0.00 0.98 0.00 0.00 95 L 8.64 4.95 0.00 1.95 1.75 0.83 0.77 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 96 P 0.00 4.23 0.00 2.05 2.13 0.00 3.68 0.00 0.00 3.90 0.00 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 0.84 0.00 0.00 0.90 0.00 0.00 122 A 8.20 3.92 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 0.00 123 G 8.40 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.84 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 0.00 0.00 0.00 125 Q 7.87 4.42 0.00 1.80 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 126 A 8.41 4.04 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.30 4.32 0.00 3.45 3.39 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 0.00 128 V 6.90 3.41 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 0.87 0.00 0.00 0.10 0.00 0.00 129 N 7.71 4.46 0.00 2.82 2.85 0.00 0.00 7.07 8.94 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 138 V 8.75 4.39 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 1.05 0.00 0.00 0.94 0.00 0.00 139 S 8.65 4.82 0.00 3.95 3.72 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 0.00 140 D 9.11 4.91 0.00 2.81 2.57 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 0.00 141 L 8.66 4.08 0.00 1.88 1.71 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 142 S 8.08 4.44 0.00 3.98 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 0.00 143 K 8.14 4.10 0.00 1.88 1.88 0.00 1.68 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.48 1.65 7.81 144 L 9.29 4.59 0.00 1.74 1.71 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.03 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 0.00 146 D 8.43 4.60 0.00 2.70 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 0.00 147 A 8.70 3.99 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 0.00 148 K 8.21 4.24 0.00 1.88 1.86 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.51 7.81 149 S 8.04 4.37 0.00 3.90 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 0.00 150 N 8.74 4.36 0.00 2.82 2.86 0.00 0.00 6.78 8.16 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 0.00 151 H 8.16 4.10 0.00 3.15 3.34 0.00 5.74 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 V 7.54 3.70 2.34 0.00 0.00 0.00 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 1.00 0.00 0.00 153 Q 8.11 4.19 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 154 L 7.83 4.42 0.00 1.74 1.66 0.92 0.79 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 *156 G 8.17 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 0.00 157 A 8.03 4.24 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 *159 D 8.21 4.54 0.00 2.89 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 0.00 160 A 8.31 4.16 1.40 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 0.00 0.00 161 G 8.22 3.61 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 0.00 0.00 0.00 162 I 7.73 3.70 2.05 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.98 0.89 0.00 0.00 163 V 7.58 3.54 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 1.01 0.00 0.00 0.91 0.00 0.00 164 S 8.44 4.07 0.00 4.01 4.09 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 0.00 0.00 0.00 165 Q 8.28 4.01 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.53 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 166 N 8.00 4.29 0.00 2.97 2.93 0.00 0.00 6.90 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 0.00 167 I 7.66 3.69 1.76 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.67 0.71 0.00 0.00 168 S 8.36 4.18 0.00 4.01 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 0.00 169 L 8.29 4.05 0.00 1.79 1.76 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 170 F 8.44 4.00 0.00 3.26 3.22 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 0.00 171 C 8.53 4.13 0.00 3.20 3.23 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 0.00 172 S 8.18 4.15 0.00 4.04 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 0.00 173 A 7.93 3.98 1.24 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 0.00 174 A 7.76 4.08 0.75 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 0.00 0.00 175 R 7.56 4.03 0.00 2.06 2.13 0.00 3.24 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.65 0.00 176 L 8.17 4.83 0.00 1.46 1.51 1.03 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 177 A 8.25 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 178 T 8.43 5.44 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 1.28 0.00 0.00 179 V 8.20 4.91 2.26 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 1.06 0.00 0.00 1.00 0.00 0.00 180 P 0.00 4.25 0.00 2.08 2.08 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 181 R 8.76 4.82 0.00 1.88 1.82 0.00 3.27 0.00 0.00 3.40 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 182 A 8.78 4.53 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 0.00 183 S 7.70 4.28 0.00 3.86 3.78 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 *185 D 8.27 4.30 0.00 2.70 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 0.00 186 L 8.16 3.96 0.00 1.70 1.67 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 187 V 7.73 3.53 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 1.05 0.00 0.00 0.91 0.00 0.00 188 R 8.25 3.93 0.00 1.84 1.93 0.00 3.32 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.82 0.00 189 L 8.26 3.84 0.00 1.75 1.60 0.85 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 190 K 8.29 3.68 0.00 1.87 1.90 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.42 7.81 191 A 7.71 3.87 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 0.00 192 A 7.91 3.67 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 0.00 193 L 7.84 4.20 0.00 1.35 0.90 0.83 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 194 K 7.24 3.77 0.00 1.82 1.84 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.20 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.34 7.81 195 L 7.58 4.39 0.00 1.57 1.52 0.76 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 196 K 9.08 4.32 0.00 1.80 1.72 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.54 7.81 197 D 8.58 4.36 0.00 2.64 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 0.00 198 T 7.87 4.21 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 0.00 199 Q 7.51 4.92 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.50 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 *201 P 0.00 4.06 0.00 2.03 2.01 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.99 0.00 *204 N 8.08 4.77 0.00 2.95 2.98 0.00 0.00 5.70 7.90 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 0.00 205 H 9.07 5.27 0.00 2.98 3.22 0.00 5.63 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 P 0.00 4.70 0.00 1.95 1.70 0.00 4.04 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.84 0.00 207 V 8.51 4.77 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 0.86 0.00 0.00 0.90 0.00 0.00 208 G 8.49 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 0.00 209 Y 8.07 4.70 0.00 3.04 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 0.00 210 F 8.83 4.42 0.00 3.13 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 0.00 211 K 8.73 4.26 0.00 1.91 1.80 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.47 7.81 * Residues marked with a * may have inaccurate shift predictions.