NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.3193 8.0427 120.9909 55.6997 41.9145 177.0090 5 E 3.7754 7.9439 123.6366 59.6530 30.2101 174.4863 6 E 4.0343 8.3318 118.4600 59.3223 29.9835 178.4839 7 L 4.0297 7.8707 119.9641 58.1438 42.2107 178.5993 8 D 4.3636 7.9155 118.9831 57.1832 40.7133 178.8175 9 I 3.7299 7.7244 120.1796 64.2873 37.1574 178.6442 10 V 3.5935 7.8453 119.1198 66.1314 31.5361 178.2210 11 S 4.1548 8.2800 115.0290 61.7990 62.4609 176.4579 12 N 4.5496 8.0410 117.8985 55.9238 38.3281 177.0144 13 N 4.5126 8.0775 118.3691 56.2218 38.7350 177.4717 14 I 3.8203 7.7244 120.8555 64.0936 37.2754 178.2964 15 L 4.1537 7.6361 118.4050 57.2555 41.1012 179.3176 16 I 3.7417 7.5134 119.8291 63.7694 36.8469 177.6251 17 L 4.5300 7.9004 118.6001 56.2457 41.5291 178.8223 18 K 4.2578 8.1308 120.3521 59.2313 32.0713 178.5934 19 K 3.8658 7.6594 118.8187 59.3301 31.5190 178.6224 20 F 4.4885 8.0681 116.8830 59.2905 38.5567 176.2395 21 Y 4.7158 8.2018 115.5350 58.4073 39.7650 176.4203 22 T 4.3924 8.0517 108.0724 62.5384 70.6271 174.5967 23 N 4.8760 8.0805 120.2751 51.6586 40.1054 175.6627 24 D 4.4604 8.9276 123.5018 57.5614 40.6523 178.8662 25 E 3.9118 8.1742 117.5242 58.8317 29.6129 178.7677 26 W 4.1318 7.9814 119.0532 58.5966 29.3941 178.3698 27 K 4.3889 8.2588 121.2172 58.9027 31.5325 178.4271 28 N 4.3385 8.1429 117.1262 56.5238 38.8504 177.0849 29 K 4.0371 7.6304 119.9496 59.2969 32.1424 179.1652 30 L 4.1011 8.1463 120.3747 58.3363 42.0889 178.7572 31 D 4.4012 8.5175 119.2383 57.3923 40.7513 178.7586 32 S 4.1335 8.4263 113.9321 61.0833 62.5239 175.9167 33 L 4.0081 8.0366 123.1369 58.3454 41.8776 179.1182 34 I 3.7353 7.7720 119.7704 64.3079 37.0024 177.9466 35 D 4.3469 8.2827 118.9635 57.5231 41.0955 178.6027 36 R 4.0252 8.1746 118.5444 59.1361 29.7807 179.1671 37 I 3.6529 7.4490 118.7386 64.3768 37.1443 178.2316 38 I 4.1943 7.5986 119.7176 64.0339 37.0632 178.0581 39 K 4.2213 8.0089 117.6273 57.0347 32.4917 177.4403 40 A 4.3937 7.1324 121.6258 51.8948 19.0872 177.4272 41 K 4.2383 8.6292 123.1090 58.9785 32.6184 177.2718 42 K 4.9688 8.4375 118.3528 54.5319 36.4290 174.8288 43 I 5.1047 8.8648 124.2652 59.6441 40.0796 174.4531 44 F 5.3786 9.9680 125.9563 55.7848 41.7510 174.5721 45 I 5.2035 8.8821 124.0733 59.7349 40.5226 174.4220 46 F 4.4138 8.6016 126.7152 56.8942 43.1187 173.1174 47 G 3.9587 6.4095 108.6471 45.9816 0.0000 172.6478 48 V 4.2553 7.5533 119.8393 61.3892 35.1887 176.6025 49 G 3.6948 8.0243 112.8539 46.6541 0.0000 177.0388 50 R 4.0741 8.4463 120.3914 59.1862 29.8581 178.5657 51 S 4.3128 7.8293 114.0466 61.3269 62.7466 176.8775 52 G 3.6179 7.6360 108.1959 47.7855 0.0000 175.5632 53 Y 4.2954 7.3653 118.5379 60.9678 37.7832 178.2834 54 I 3.9250 7.9082 120.7134 64.1701 37.1580 178.6859 55 G 3.8807 8.1252 106.7840 48.0021 0.0000 176.0411 56 R 3.8418 8.1223 120.4228 59.0813 29.8392 178.9052 57 C 4.1469 7.9086 116.4546 62.6730 28.0810 175.9442 58 F 4.3743 8.1784 122.1002 61.1142 38.9078 177.2031 59 A 3.9137 8.2431 121.8743 54.7275 18.1785 179.3321 60 M 3.8021 8.1706 116.7509 58.7670 32.1738 178.5124 61 R 3.8980 7.6609 118.9791 59.2764 30.3377 178.4959 62 L 3.9350 7.7511 119.0211 57.6802 41.4856 179.1099 63 M 4.2403 7.5828 119.6335 58.4344 31.9589 177.9774 64 H 4.2875 7.8372 115.3352 58.5435 28.9425 176.8674 65 L 4.3402 7.4870 118.3629 54.7608 41.9089 177.5361 66 G 3.8524 7.8942 107.2320 44.7251 0.0000 174.0215 67 F 4.3490 7.8493 118.3471 57.0703 40.8580 175.4138 68 K 4.3078 8.6545 121.2606 55.5351 31.5668 174.8046 69 S 4.9091 7.6699 118.7076 56.7071 64.8699 171.9041 70 Y 5.0020 8.6442 122.6680 56.3787 42.7164 173.5027 71 F 5.2222 8.8146 123.9653 56.1831 42.0242 174.7143 72 V 3.7320 8.0386 127.3913 64.0502 31.2186 175.7549 73 G 4.2215 9.2738 115.5814 45.7232 0.0000 173.6223 74 E 4.5884 8.2365 119.3070 55.6265 30.7932 177.4198 75 T 3.8161 8.0546 117.7381 66.9849 68.6844 175.4296 76 T 4.4899 7.6946 108.7574 61.6668 69.2413 174.3402 77 T 3.8029 7.6989 119.9428 63.1061 68.6522 173.3089 78 P 4.6201 0.0000 0.0000 61.2713 33.6455 175.6321 79 S 4.2047 8.3020 112.4478 58.5558 63.5288 172.8369 80 Y 3.7760 8.2084 124.0787 56.8556 39.2963 174.5518 81 E 4.5984 8.8280 126.8851 53.6976 32.3408 177.0007 82 K 3.8379 8.4695 118.7311 59.9026 32.6022 177.4147 83 D 4.6774 7.9168 117.3635 54.1312 40.9000 175.4429 84 D 5.1452 7.2848 119.8892 53.0966 43.0105 175.4004 85 L 5.1677 8.8480 120.9370 53.3715 45.5620 174.6424 86 L 5.4145 9.0496 127.4273 53.4027 45.0563 174.7731 87 I 5.0206 9.2085 127.2678 59.6183 40.0795 174.3237 88 L 5.2610 9.3504 127.5583 52.9869 44.3230 175.5337 89 I 5.1238 8.3964 124.3590 59.7167 39.5940 175.1982 90 S 4.4305 9.1369 121.7567 56.9397 65.6698 174.4671 91 G 3.1171 9.0564 115.7166 49.2524 0.0000 174.9155 92 S 4.2098 8.0963 115.8029 58.0080 64.0889 175.9318 93 G 3.9274 8.1103 108.2061 45.9250 0.0000 174.6585 94 R 4.4692 7.5026 116.8047 55.8424 31.8188 177.0635 95 T 3.8587 7.8794 115.8220 63.9488 69.2543 174.0442 96 E 3.9880 9.0094 126.1547 59.9755 29.0492 179.7197 97 S 4.2359 8.0828 114.3326 61.3648 62.9608 176.7083 98 V 3.9964 7.8309 120.8171 65.8914 31.3458 177.9608 99 L 3.9459 7.9435 118.6807 57.7955 41.5059 179.6044 100 T 3.6905 7.8236 115.8685 66.6334 68.5231 176.9311 101 V 3.3129 7.3092 119.0005 65.6412 31.4363 177.9514 102 A 3.7993 7.8343 120.6166 54.9322 17.9553 179.7791 103 K 3.4144 7.3847 116.0244 59.4074 32.4282 179.5303 104 K 3.9913 7.6955 118.0435 59.1274 31.9260 179.3304 105 A 3.7307 7.6205 120.9372 54.5735 18.0274 179.5376 106 K 4.2173 7.6459 118.7699 58.9586 32.3005 178.2707 107 N 4.5493 7.6069 114.6472 54.8200 38.5797 176.6176 108 I 4.2758 7.4664 120.2960 62.5122 38.2104 174.6260 109 N 4.9371 8.3314 114.4565 52.4859 40.0773 173.9863 110 N 4.8240 8.5351 113.5206 53.5251 39.9888 175.6246 111 N 4.8572 8.1275 119.3696 53.3504 36.8358 173.6559 112 I 5.1514 7.6054 121.2007 59.4925 41.3206 175.7993 113 I 5.1052 9.0247 127.6874 59.3761 40.3637 174.3674 114 A 5.1513 8.9268 127.7564 50.2431 21.9597 174.9603 115 I 4.8577 9.2346 124.5395 60.2472 39.0691 174.4214 116 V 5.3018 7.9122 124.3859 57.8665 35.6759 174.6830 *118 E 4.2784 8.9102 122.4673 57.3304 32.9460 179.0941 *120 G 3.7900 8.4186 121.1960 46.0301 0.0000 171.9336 121 N 4.2526 8.7840 115.3135 56.7019 38.2540 177.6716 122 V 3.9353 8.0674 120.1465 64.7395 31.3349 178.8098 123 V 3.7414 7.8806 113.0495 64.0243 31.0545 178.1545 124 E 3.8705 7.7342 117.9229 58.3777 29.2702 178.1326 125 F 4.6280 7.7869 115.0724 56.4817 40.0444 175.5562 126 A 4.7246 7.0740 121.9930 51.1286 19.9338 176.8771 127 D 4.6080 8.9876 122.1172 56.1205 42.4367 176.5777 128 L 4.7856 7.8366 119.9216 53.4747 45.5077 175.0736 129 T 5.0305 8.6871 122.4476 61.9648 71.0380 174.1036 130 I 4.5041 8.9489 128.0044 58.9527 38.6111 172.3360 131 P 4.8055 0.0000 0.0000 62.1860 32.2361 176.7380 132 L 4.6153 9.0337 125.0179 53.0095 41.5402 175.4344 133 E 4.1946 8.4484 119.6607 55.7131 28.2771 176.8838 134 V 4.2774 7.7844 116.3731 59.1701 33.9602 175.5963 135 K 4.2319 8.3417 122.7262 55.7054 32.7279 176.5932 136 K 4.5143 8.3388 125.2959 55.3884 33.8500 174.9344 137 S 4.6041 8.0727 113.9079 56.6059 65.7855 174.8683 138 K 3.7168 8.5214 123.8640 59.1107 31.8369 176.9351 139 Y 4.8008 7.6007 112.8207 57.8729 38.5929 176.0014 140 L 4.7752 7.4104 120.3013 52.4178 42.3167 173.8096 141 P 4.6360 0.0000 0.0000 62.1909 34.2012 179.2473 142 M 2.8915 8.0196 119.3735 57.1283 30.9326 178.1539 143 G 4.1604 8.6172 116.2977 46.8729 0.0000 174.6313 144 T 4.1422 8.2828 120.3991 66.3625 68.4525 176.3894 145 T 4.1638 7.9372 110.6249 64.5391 68.9146 176.2961 146 F 4.1835 8.2076 123.1718 61.2929 39.1561 176.7909 147 E 3.7081 8.4941 118.5145 59.2531 29.2329 179.3513 148 E 3.9673 7.9702 118.1136 59.8455 29.5180 179.5979 149 T 3.9112 7.8992 115.5446 66.4062 68.3701 176.8214 150 A 3.8456 8.1020 123.2841 54.7728 18.2545 179.4543 151 L 3.8237 7.7104 118.8160 58.3894 42.1939 179.3244 152 I 3.7012 7.5569 119.2878 64.1955 37.0059 178.1862 153 F 4.0606 8.4692 121.8133 61.4205 39.2899 177.2917 154 L 3.3424 8.0503 118.6680 57.4660 41.2657 179.1576 155 D 4.4791 8.0297 118.9048 56.8921 40.8145 178.6322 156 L 4.0976 7.6728 119.6724 57.2679 41.5644 179.5804 157 V 3.3771 7.2189 118.6107 65.8266 31.4248 178.1401 158 I 3.7576 7.6699 118.9523 64.2891 36.8314 178.2000 159 A 4.0406 8.0830 121.5970 55.4033 18.3625 179.6171 160 E 4.0593 8.3432 116.9335 59.3786 29.6167 179.6480 161 I 3.8574 7.9373 120.2463 64.5751 37.0797 178.3398 162 M 4.1671 8.2433 119.6636 58.1628 31.6637 179.0422 163 K 4.0053 7.9531 118.5973 59.6275 32.0699 179.7129 164 R 4.0272 7.8831 116.7332 58.1652 30.0725 177.9976 165 L 4.5129 7.6478 115.6713 53.1581 42.6349 175.8386 166 N 4.1909 7.5624 114.8110 54.1986 36.6252 174.2682 167 L 4.4787 8.0201 116.5300 53.7688 43.3129 176.5528 168 D 4.9764 8.0649 121.2317 52.3245 43.8641 176.7102 169 E 3.9956 8.5261 119.0468 59.2593 29.3635 178.6568 170 S 4.1856 8.0296 114.0666 61.3110 63.1616 176.1676 171 E 3.9839 7.9298 122.4152 59.1469 29.1405 179.3293 172 I 3.9224 7.6123 119.4752 64.5049 37.1239 178.3318 173 I 3.6751 7.3233 118.9107 64.1961 36.9380 178.0806 174 K 4.0681 7.7641 119.4226 58.7323 32.1398 178.0778 175 R 4.4877 7.2165 114.1756 54.8339 31.2592 177.2953 176 H 4.6877 8.4166 122.4950 55.6520 29.6299 175.3569 *178 N 4.6812 8.7270 113.2802 52.2495 38.2376 174.4613 179 L 4.4609 7.9602 118.2635 55.3209 43.0504 176.4843 180 L 4.2968 7.8233 122.7429 54.7128 41.8328 176.1138 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 4 L 8.04 4.32 0.00 1.85 1.92 0.92 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 5 E 7.94 3.78 0.00 2.17 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 2.41 2.49 0.00 6 E 8.33 4.03 0.00 2.13 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 2.49 2.52 0.00 7 L 7.87 4.03 0.00 1.76 1.67 0.93 1.28 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 8 D 7.92 4.36 0.00 2.93 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 9 I 7.72 3.73 2.04 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 1.42 0.78 0.93 0.00 0.00 10 V 7.85 3.59 2.21 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 1.04 0.00 0.00 1.07 0.00 0.00 11 S 8.28 4.15 0.00 4.05 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 12 N 8.04 4.55 0.00 2.77 2.87 0.00 0.00 7.10 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 13 N 8.08 4.51 0.00 3.00 2.87 0.00 0.00 6.87 7.37 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 14 I 7.72 3.82 1.89 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 1.74 1.32 0.94 0.00 0.00 15 L 7.64 4.15 0.00 1.94 1.71 0.92 0.72 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 16 I 7.51 3.74 2.04 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.90 0.73 0.00 0.00 17 L 7.90 4.53 0.00 2.03 2.00 1.03 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.13 4.26 0.00 2.01 1.86 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.53 7.81 19 K 7.66 3.87 0.00 0.94 1.11 0.00 0.66 0.00 0.00 1.12 0.00 0.00 2.35 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.26 7.81 20 F 8.07 4.49 0.00 3.09 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 21 Y 8.20 4.72 0.00 3.12 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 22 T 8.05 4.39 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 1.29 0.00 0.00 23 N 8.08 4.88 0.00 3.13 2.96 0.00 0.00 6.99 8.19 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 24 D 8.93 4.46 0.00 2.70 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.17 3.91 0.00 1.82 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 0.00 2.34 2.30 0.00 26 W 7.98 4.13 0.00 3.33 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 27 K 8.26 4.39 0.00 2.11 2.00 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.50 7.81 28 N 8.14 4.34 0.00 2.92 2.94 0.00 0.00 7.16 6.89 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 29 K 7.63 4.04 0.00 2.21 2.05 0.00 1.42 0.00 0.00 1.64 0.00 0.00 2.25 0.00 0.00 2.20 0.00 0.00 0.00 0.00 1.40 1.49 7.81 30 L 8.15 4.10 0.00 2.03 2.02 0.71 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.52 4.40 0.00 2.90 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.43 4.13 0.00 4.01 4.04 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 33 L 8.04 4.01 0.00 1.99 1.96 1.00 0.96 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 34 I 7.77 3.74 1.89 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 1.39 0.53 0.94 0.00 0.00 35 D 8.28 4.35 0.00 2.98 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 36 R 8.17 4.03 0.00 2.10 2.01 0.00 3.23 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 37 I 7.45 3.65 1.86 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.57 0.11 0.00 0.00 38 I 7.60 4.19 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.66 1.01 0.00 0.00 39 K 8.01 4.22 0.00 1.86 1.89 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.58 7.81 40 A 7.13 4.39 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 41 K 8.63 4.24 0.00 1.81 2.09 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.51 7.81 42 K 8.44 4.97 0.00 2.11 1.76 0.00 1.94 0.00 0.00 1.78 0.00 0.00 3.18 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.60 7.81 43 I 8.86 5.10 1.77 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.85 0.92 0.00 0.00 44 F 9.97 5.38 0.00 3.20 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 45 I 8.88 5.20 2.21 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.19 1.27 0.00 0.00 46 F 8.60 4.41 0.00 2.84 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 6.41 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 48 V 7.55 4.26 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 0.95 0.00 0.00 0.81 0.00 0.00 49 G 8.02 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 50 R 8.45 4.07 0.00 2.02 2.06 0.00 3.21 0.00 0.00 3.40 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.84 0.00 51 S 7.83 4.31 0.00 4.09 4.12 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 52 G 7.64 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.37 4.30 0.00 3.16 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 54 I 7.91 3.92 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.53 0.85 0.00 0.00 55 G 8.13 3.88 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 0.00 0.00 0.00 56 R 8.12 3.84 0.00 1.90 1.80 0.00 2.99 0.00 0.00 2.94 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.50 0.00 57 C 7.91 4.15 0.00 3.20 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 58 F 8.18 4.37 0.00 2.97 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 59 A 8.24 3.91 1.51 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 0.00 0.00 60 M 8.17 3.80 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.24 0.00 61 R 7.66 3.90 0.00 2.09 1.88 0.00 3.27 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 62 L 7.75 3.93 0.00 1.57 1.48 0.27 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 63 M 7.58 4.24 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 64 H 7.84 4.29 0.00 3.40 3.32 0.00 5.70 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.49 4.34 0.00 1.91 1.73 1.07 1.01 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 66 G 7.89 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 0.00 0.00 0.00 67 F 7.85 4.35 0.00 3.16 2.86 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 68 K 8.65 4.31 0.00 1.88 1.73 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.79 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.43 7.81 69 S 7.67 4.91 0.00 3.70 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 70 Y 8.64 5.00 0.00 2.33 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 71 F 8.81 5.22 0.00 3.25 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 72 V 8.04 3.73 1.78 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 0.38 0.00 0.00 1.00 0.00 0.00 73 G 9.27 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 0.00 0.00 0.00 0.00 74 E 8.24 4.59 0.00 2.34 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 2.47 2.64 0.00 75 T 8.05 3.82 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 1.24 0.00 0.00 76 T 7.69 4.49 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 77 T 7.70 3.80 4.41 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 1.39 0.00 0.00 78 P 0.00 4.62 0.00 2.12 1.93 0.00 2.47 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.35 0.00 79 S 8.30 4.20 0.00 3.98 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 0.00 80 Y 8.21 3.78 0.00 2.26 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.83 4.60 0.00 2.01 1.75 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 2.18 2.17 0.00 82 K 8.47 3.84 0.00 1.83 1.92 0.00 1.55 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.44 7.81 83 D 7.92 4.68 0.00 2.73 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 84 D 7.28 5.15 0.00 1.77 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.85 5.17 0.00 1.95 1.58 1.11 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 86 L 9.05 5.41 0.00 1.65 1.46 0.91 0.52 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 87 I 9.21 5.02 2.08 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.77 1.05 0.00 0.00 88 L 9.35 5.26 0.00 1.59 1.62 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.40 5.12 1.96 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 1.20 0.72 1.07 0.00 0.00 90 S 9.14 4.43 0.00 3.87 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 G 9.06 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 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0.00 100 T 7.82 3.69 4.32 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 1.10 0.00 0.00 101 V 7.31 3.31 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 0.63 0.00 0.00 0.16 0.00 0.00 102 A 7.83 3.80 1.13 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 0.00 0.00 103 K 7.38 3.41 0.00 1.61 1.66 0.00 1.53 0.00 0.00 1.59 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.00 0.81 7.81 104 K 7.70 3.99 0.00 1.61 1.67 0.00 1.50 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.41 7.81 105 A 7.62 3.73 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 0.00 106 K 7.65 4.22 0.00 1.96 2.03 0.00 1.62 0.00 0.00 1.88 0.00 0.00 3.21 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.74 1.49 7.81 107 N 7.61 4.55 0.00 3.00 2.85 0.00 0.00 6.95 7.33 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 0.00 108 I 7.47 4.28 2.21 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.99 4.61 0.00 2.94 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.84 4.79 0.00 1.78 1.48 0.94 0.91 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 0.00 129 T 8.69 5.03 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 1.22 0.00 0.00 130 I 8.95 4.50 1.94 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.66 0.95 0.00 0.00 131 P 0.00 4.81 0.00 2.19 2.06 0.00 3.91 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 2.10 2.16 0.00 132 L 9.03 4.62 0.00 1.75 1.68 0.79 0.66 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 0.00 133 E 8.45 4.19 0.00 1.94 1.93 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 2.33 2.38 0.00 134 V 7.78 4.28 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 0.78 0.00 0.00 1.09 0.00 0.00 135 K 8.34 4.23 0.00 1.69 1.71 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.51 7.81 136 K 8.34 4.51 0.00 1.77 1.72 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.42 7.81 137 S 8.07 4.60 0.00 3.77 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 0.00 138 K 8.52 3.72 0.00 1.48 1.20 0.00 1.56 0.00 0.00 1.06 0.00 0.00 2.56 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.61 1.14 7.81 139 Y 7.60 4.80 0.00 3.22 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 0.00 140 L 7.41 4.78 0.00 1.67 1.57 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 141 P 0.00 4.64 0.00 2.31 2.19 0.00 3.62 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.29 0.00 142 M 8.02 2.89 0.00 2.17 1.45 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 143 G 8.62 4.16 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 0.00 144 T 8.28 4.14 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 0.00 145 T 7.94 4.16 4.43 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 1.30 0.00 0.00 146 F 8.21 4.18 0.00 3.17 3.31 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 0.00 147 E 8.49 3.71 0.00 2.18 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 2.36 2.44 0.00 148 E 7.97 3.97 0.00 2.16 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 2.33 2.53 0.00 149 T 7.90 3.91 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 150 A 8.10 3.85 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 0.00 151 L 7.71 3.82 0.00 1.85 1.81 0.93 1.08 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 0.00 152 I 7.56 3.70 2.01 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 1.41 0.49 0.94 0.00 0.00 153 F 8.47 4.06 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 0.00 154 L 8.05 3.34 0.00 1.67 1.13 0.73 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 155 D 8.03 4.48 0.00 2.84 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 0.00 156 L 7.67 4.10 0.00 1.72 1.73 1.10 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 157 V 7.22 3.38 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 0.97 0.00 0.00 -0.05 0.00 0.00 158 I 7.67 3.76 2.10 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 1.95 1.10 0.96 0.00 0.00 159 A 8.08 4.04 1.43 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 0.00 0.00 160 E 8.34 4.06 0.00 2.14 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 0.00 2.60 2.49 0.00 161 I 7.94 3.86 2.08 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.36 1.14 0.00 0.00 162 M 8.24 4.17 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.62 0.00 163 K 7.95 4.01 0.00 1.98 1.89 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.71 7.81 164 R 7.88 4.03 0.00 1.87 2.03 0.00 3.18 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 165 L 7.65 4.51 0.00 1.73 1.68 1.02 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 166 N 7.56 4.19 0.00 2.98 2.88 0.00 0.00 6.88 7.73 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 0.00 167 L 8.02 4.48 0.00 1.63 1.58 0.91 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 168 D 8.06 4.98 0.00 2.74 2.58 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 0.00 169 E 8.53 4.00 0.00 2.02 1.93 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 2.35 2.35 0.00 170 S 8.03 4.19 0.00 4.07 4.10 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 0.00 171 E 7.93 3.98 0.00 2.09 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 2.30 2.46 0.00 172 I 7.61 3.92 2.01 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 1.66 0.72 0.82 0.00 0.00 173 I 7.32 3.68 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.71 0.87 0.00 0.00 174 K 7.76 4.07 0.00 1.80 2.01 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.51 7.81 175 R 7.22 4.49 0.00 1.93 1.94 0.00 3.38 0.00 0.00 3.11 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 176 H 8.42 4.69 0.00 3.29 2.23 0.00 5.78 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *178 N 8.73 4.68 0.00 2.90 2.95 0.00 0.00 5.82 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 0.00 179 L 7.96 4.46 0.00 1.65 1.75 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 180 L 7.82 4.30 0.00 1.63 1.56 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.