NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.4388 8.1429 122.6805 54.8446 43.0760 175.6796 4 I 4.8329 8.4602 124.2862 56.7786 38.5051 166.0236 5 V 4.4239 10.0696 128.4597 60.4148 34.9265 173.5579 6 N 5.1273 8.9590 125.4627 52.1228 40.3735 174.0620 7 V 4.7535 8.5599 124.6776 61.4107 33.5400 174.3544 8 I 4.9172 9.0153 129.7192 59.6421 40.1500 174.3205 9 N 5.3893 9.2565 125.0395 51.7497 41.1898 175.6060 10 G 4.3534 9.1659 113.2416 43.8946 0.0000 171.0370 11 P 4.4255 0.0000 0.0000 64.3920 31.9211 176.8815 12 N 4.5135 9.2160 117.1936 53.8885 37.6345 176.1318 13 L 4.3072 7.5668 117.1265 56.2106 41.9918 178.1650 14 G 3.6615 8.0009 106.5069 47.2964 0.0000 174.2587 15 R 4.4491 7.8111 119.1207 55.8210 30.4477 176.0859 16 L 4.1443 7.7217 119.7553 55.6826 42.0119 176.1142 17 G 3.8417 8.9275 115.9916 46.2712 0.0000 175.4516 18 R 4.2216 7.4803 127.7561 56.9795 29.0834 177.3710 *19 R 4.5706 9.0484 130.5792 58.3737 30.5407 174.8718 20 E 3.9757 8.4127 114.6064 57.0505 28.4090 171.3337 *25 G 3.9335 8.0071 103.2121 47.1333 0.0000 172.7560 26 G 4.1908 8.4849 105.9180 45.6262 0.0000 173.1875 27 T 4.5648 7.8278 115.5977 61.4582 71.0872 175.5634 28 T 5.0708 7.9899 116.7196 60.6642 71.4005 175.6055 29 H 4.0893 8.6073 120.3812 59.2273 29.8564 176.9915 30 D 4.3312 8.0663 120.4275 57.5400 40.6964 178.4986 31 E 3.9878 7.9148 119.0446 59.1119 29.3851 179.2052 32 L 3.8150 7.8953 120.6403 57.9489 42.0971 179.1130 33 V 3.4210 7.8244 118.1282 65.9387 31.5238 177.9100 34 A 3.9748 7.9613 120.4834 55.0674 18.1834 179.6527 35 L 3.9359 8.1092 117.7232 57.9284 41.5974 179.8781 36 I 3.7136 7.7956 119.7399 64.3953 37.0960 178.3524 37 E 3.9188 8.0987 119.4872 59.4232 28.8508 179.4369 38 R 3.8868 7.9101 118.5622 59.3467 30.0585 178.2001 39 E 4.0309 8.1498 118.6033 58.8487 29.6334 178.6237 40 A 3.9556 8.3691 121.1276 55.0845 18.5929 179.4460 41 A 3.9513 7.9283 119.3055 55.2872 18.2125 179.4078 42 E 3.9038 7.6519 115.6449 59.2368 29.8147 178.3816 43 L 4.3288 7.5736 116.1822 54.6540 42.1048 176.9780 44 G 3.8059 8.0252 106.6841 46.4312 0.0000 173.0227 45 L 5.0573 8.2369 117.6082 52.3353 46.1343 176.0357 46 K 4.6047 9.0381 121.3606 54.6176 34.7127 174.3618 47 A 5.1011 8.6466 128.8637 50.1996 21.2827 175.6796 48 V 4.0017 8.4653 123.6729 61.3842 32.9876 174.4806 49 V 4.6022 8.0837 128.5345 61.4194 32.5764 175.1525 50 R 4.5538 8.7088 126.4170 54.2916 34.3073 174.0314 51 Q 5.2061 8.6825 122.8216 54.5830 31.9466 174.2607 52 S 4.7953 8.8970 119.3502 57.2389 65.3711 173.7167 53 D 4.5149 8.8941 124.8346 55.6253 41.3765 176.9532 54 S 4.3859 7.8880 115.4106 57.1319 63.5652 174.0518 55 E 3.8557 8.7256 129.5806 59.3747 29.4958 178.5259 56 A 3.9397 7.8749 120.2937 55.0915 18.3773 179.2361 57 Q 3.4452 7.5137 117.2133 58.9179 28.9951 178.2602 58 L 4.0435 7.3873 120.1324 57.6834 41.6127 179.4267 59 L 3.8765 7.8512 119.0019 57.6793 41.4955 179.1076 60 D 4.3114 7.7193 117.7016 57.1841 41.3041 178.3604 61 W 4.5296 7.9933 119.5008 59.8848 28.9846 178.5844 62 I 3.9318 7.9874 119.9461 64.3481 36.5458 178.0972 63 H 4.3046 8.3193 117.3216 59.0933 28.5805 177.8846 64 Q 4.0525 8.2865 119.6346 58.9025 28.5187 178.5979 65 A 4.0445 8.1109 121.3589 55.0745 18.2268 179.6048 66 A 3.9864 8.1564 119.4330 55.4013 18.2498 179.6554 67 D 4.3170 8.0401 116.4243 57.0778 41.0276 178.0098 68 A 4.2568 8.1090 118.2425 51.2579 19.2129 176.7035 69 A 3.7301 7.4068 119.1589 53.0657 16.8549 176.9615 70 E 4.7201 8.0025 118.1528 55.4403 31.6275 175.5093 71 P 4.6810 0.0000 0.0000 62.7856 33.2354 175.4068 72 V 4.8302 8.5234 121.4676 61.3806 34.8305 174.2070 73 I 4.7561 9.1339 129.6723 59.9459 38.7991 174.4175 74 L 5.1382 8.9733 129.9954 53.2378 45.0031 174.5954 75 N 5.3036 9.5831 125.4156 50.9212 39.9444 174.4306 76 A 4.2769 8.6325 127.7370 51.8335 20.3160 178.5327 77 G 3.9654 7.9360 105.6101 46.2521 0.0000 177.7936 78 G 3.8286 8.6893 110.8575 48.0507 0.0000 174.8361 79 L 4.2389 7.6715 121.3327 56.6647 41.3675 179.0938 80 T 3.8889 7.7036 116.1547 66.6349 68.1879 175.1146 81 H 4.9365 7.8586 115.2753 56.2256 29.3120 175.7687 82 T 4.5658 7.8955 109.3980 61.2413 71.0968 173.1218 83 S 4.6260 7.9882 117.4006 56.5009 62.5776 174.5298 84 V 3.3300 7.9280 128.4202 65.5487 31.3329 177.4404 85 A 3.9225 7.8296 120.2368 55.1506 18.2443 179.2227 86 L 3.9162 7.9007 118.8019 58.0924 42.1477 179.1799 87 R 3.9189 7.6156 117.4638 59.5651 29.8314 178.2661 88 D 4.3774 8.1944 117.6629 57.1813 41.1856 178.4056 89 A 4.1860 8.1381 121.3188 55.4971 18.6016 179.5853 90 C 4.2110 8.2685 114.7311 62.5112 27.9037 176.0647 91 A 4.1235 7.8259 121.6942 54.7679 17.9458 179.1053 92 E 4.1689 7.9494 116.2174 57.8555 29.6527 177.6308 93 L 4.1088 7.2113 119.5804 54.9691 41.9075 177.0932 94 S 4.4060 8.6830 118.0310 59.5248 64.1163 174.3991 95 A 4.4846 7.6956 121.6083 50.2560 19.7320 175.5884 96 P 4.3938 0.0000 0.0000 63.1119 32.9855 175.0505 97 L 5.1865 8.5680 124.0784 53.3616 45.0752 174.9647 98 I 4.8514 8.5505 127.1587 59.3257 39.7583 174.6361 99 E 4.5665 8.8088 129.2586 56.0013 30.9349 175.5644 100 V 4.7392 8.6790 125.6016 61.3877 35.0455 173.7122 101 H 4.8995 9.0493 124.3409 54.2540 32.0426 174.7543 102 I 3.8198 8.5948 123.9633 64.3245 37.9466 176.8333 103 S 4.6565 7.8873 114.2278 56.7816 64.5496 173.5096 104 N 4.4982 8.3825 119.7216 52.8152 37.6410 175.8447 105 V 3.6079 8.1363 126.2439 64.1874 31.6146 176.8991 106 H 4.4821 7.8494 115.6670 56.2492 28.9946 175.3376 107 A 4.7430 7.7988 121.9841 51.7483 19.7285 177.2901 108 R 4.5750 7.3015 118.6817 56.8049 31.5869 175.5553 109 E 4.0504 8.2592 122.7337 57.0049 30.3724 177.7303 110 E 3.9462 8.6267 121.4438 59.3574 29.6724 179.5300 111 F 4.3307 7.8380 113.2455 59.3109 38.1579 177.1717 112 R 3.3380 6.7152 119.2582 58.1050 29.9212 177.4279 113 R 4.1076 7.7028 115.4603 56.7268 30.3144 175.5255 114 H 4.8737 7.5634 118.1365 54.0399 31.8481 173.1408 115 S 4.7153 7.8855 119.7151 56.6002 64.7955 173.5190 116 Y 4.2904 8.7487 125.5483 60.2914 38.3838 177.4514 117 L 4.3272 7.9072 119.5749 56.9691 40.7531 178.8091 118 S 4.1833 8.0197 115.3470 61.4302 62.6187 175.1312 119 P 4.5266 0.0000 0.0000 64.6069 31.1630 177.0593 120 I 4.1954 7.0284 108.7846 60.6472 38.6034 175.9296 121 A 4.2862 7.4434 123.9136 52.2259 19.0482 177.8335 122 T 4.0727 8.8066 117.8646 66.3951 68.8882 175.2029 123 G 4.1368 7.6694 106.0408 44.8674 0.0000 171.2632 124 V 5.0066 8.1225 119.1619 60.8739 34.6214 174.5278 125 I 4.5390 8.6614 128.0672 59.4756 39.9586 174.7247 126 V 4.6006 8.1237 126.1276 62.0945 34.2972 175.4605 127 G 3.9090 8.8013 115.0625 45.9826 0.0000 173.5012 128 L 4.4886 7.7864 117.1531 53.6216 42.8037 178.6864 129 G 3.8243 7.9043 108.0888 46.2993 0.0000 175.8822 130 I 3.9776 8.3219 118.4840 64.4336 37.1703 177.6783 131 Q 4.2376 8.2467 119.8385 58.3985 28.8714 178.0761 132 G 3.6007 7.9535 106.7516 48.2202 0.0000 175.2236 133 Y 4.0770 7.7928 118.4735 60.9511 37.9353 178.7729 134 L 4.1040 8.0001 119.4219 57.7649 41.6978 179.3867 135 L 4.0718 8.2624 118.8720 57.5535 40.9707 179.4057 136 A 4.0352 8.0402 120.9353 54.9744 18.2889 179.6432 137 L 4.0035 7.9673 117.5043 58.0741 41.6225 179.6991 138 R 3.9320 8.0249 118.5538 59.5732 29.8708 177.8051 139 Y 4.0942 7.9439 119.4160 60.8181 38.5514 178.2294 140 L 3.9830 7.6021 117.8908 57.4901 41.7952 178.9063 141 A 4.1147 7.8537 120.2795 55.0298 18.3260 179.3322 142 E 3.9385 7.7766 116.2429 59.2292 29.7214 177.4051 143 H 4.4482 7.9257 119.5213 55.7265 29.1645 174.4602 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 3 L 8.14 4.44 0.00 1.36 1.64 0.92 0.47 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 4 I 8.46 4.83 1.87 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 1.23 1.13 0.94 0.00 0.00 5 V 10.07 4.42 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 0.95 0.00 0.00 0.95 0.00 0.00 6 N 8.96 5.13 0.00 2.80 2.67 0.00 0.00 6.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.56 4.75 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 1.01 0.00 0.00 0.95 0.00 0.00 8 I 9.02 4.92 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.69 1.19 0.00 0.00 9 N 9.26 5.39 0.00 2.72 2.80 0.00 0.00 6.43 8.21 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 10 G 9.17 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 0.00 0.00 0.00 0.00 11 P 0.00 4.43 0.00 2.08 2.04 0.00 4.03 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 2.05 2.30 0.00 12 N 9.22 4.51 0.00 2.99 3.02 0.00 0.00 7.00 6.45 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 13 L 7.57 4.31 0.00 1.87 1.81 1.07 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.00 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 15 R 7.81 4.45 0.00 2.05 1.96 0.00 3.31 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 16 L 7.72 4.14 0.00 1.75 1.89 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.93 3.84 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 0.00 0.00 0.00 18 R 7.48 4.22 0.00 1.99 2.01 0.00 3.16 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.58 0.00 *19 R 9.05 4.57 0.00 1.96 1.51 0.00 3.30 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.92 0.00 20 E 8.41 3.98 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 2.09 1.85 0.00 *25 G 8.01 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 0.00 0.00 0.00 26 G 8.48 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 0.00 0.00 0.00 0.00 27 T 7.83 4.56 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 1.20 0.00 0.00 28 T 7.99 5.07 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 1.22 0.00 0.00 29 H 8.61 4.09 0.00 3.21 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.07 4.33 0.00 2.72 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 31 E 7.91 3.99 0.00 2.11 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 2.31 2.30 0.00 32 L 7.90 3.81 0.00 1.71 1.62 0.64 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.82 3.42 2.18 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 0.93 0.00 0.00 0.88 0.00 0.00 34 A 7.96 3.97 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 35 L 8.11 3.94 0.00 1.90 1.71 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.80 3.71 1.76 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.70 0.87 0.00 0.00 37 E 8.10 3.92 0.00 2.05 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 2.29 2.35 0.00 38 R 7.91 3.89 0.00 2.12 1.91 0.00 3.20 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.51 0.00 39 E 8.15 4.03 0.00 2.23 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 2.32 2.38 0.00 40 A 8.37 3.96 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 41 A 7.93 3.95 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 42 E 7.65 3.90 0.00 2.17 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 0.00 2.32 2.35 0.00 43 L 7.57 4.33 0.00 1.79 1.70 0.94 1.39 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 44 G 8.03 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 45 L 8.24 5.06 0.00 1.55 1.54 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 46 K 9.04 4.60 0.00 1.73 1.61 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.48 7.81 47 A 8.65 5.10 1.18 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 0.00 0.00 48 V 8.47 4.00 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 0.74 0.00 0.00 0.87 0.00 0.00 49 V 8.08 4.60 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 0.68 0.00 0.00 0.81 0.00 0.00 50 R 8.71 4.55 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.68 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.11 0.00 51 Q 8.68 5.21 0.00 1.88 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.16 0.00 52 S 8.90 4.80 0.00 3.88 3.54 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 53 D 8.89 4.51 0.00 2.70 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 54 S 7.89 4.39 0.00 3.82 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 55 E 8.73 3.86 0.00 2.04 1.88 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 2.33 2.35 0.00 56 A 7.87 3.94 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 57 Q 7.51 3.45 0.00 1.82 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 1.52 1.16 0.00 58 L 7.39 4.04 0.00 1.77 1.75 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.85 3.88 0.00 1.75 1.56 0.88 0.70 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 60 D 7.72 4.31 0.00 2.75 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 61 W 7.99 4.53 0.00 3.62 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 62 I 7.99 3.93 1.97 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 0.73 0.94 0.00 0.00 63 H 8.32 4.30 0.00 3.39 3.35 0.00 5.64 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 64 Q 8.29 4.05 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 65 A 8.11 4.04 1.44 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 66 A 8.16 3.99 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 67 D 8.04 4.32 0.00 2.86 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.11 4.26 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 69 A 7.41 3.73 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 70 E 8.00 4.72 0.00 1.88 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 2.28 2.47 0.00 71 P 0.00 4.68 0.00 2.11 2.02 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 72 V 8.52 4.83 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 1.02 0.00 0.00 0.97 0.00 0.00 73 I 9.13 4.76 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 1.16 0.51 1.05 0.00 0.00 74 L 8.97 5.14 0.00 1.75 1.50 1.02 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 75 N 9.58 5.30 0.00 2.80 3.07 0.00 0.00 6.97 8.53 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 76 A 8.63 4.28 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 77 G 7.94 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 0.00 0.00 0.00 78 G 8.69 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 0.00 0.00 0.00 79 L 7.67 4.24 0.00 1.84 1.75 0.92 0.74 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 80 T 7.70 3.89 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 81 H 7.86 4.94 0.00 3.24 3.48 0.00 5.59 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.90 4.57 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 1.30 0.00 0.00 83 S 7.99 4.63 0.00 3.88 3.91 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 84 V 7.93 3.33 1.86 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 1.00 0.00 0.00 0.28 0.00 0.00 85 A 7.83 3.92 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.90 3.92 0.00 1.77 1.66 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.62 3.92 0.00 2.02 2.08 0.00 3.42 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 88 D 8.19 4.38 0.00 2.83 2.72 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 89 A 8.14 4.19 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 90 C 8.27 4.21 0.00 3.16 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 91 A 7.83 4.12 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 7.95 4.17 0.00 2.22 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 2.36 2.38 0.00 93 L 7.21 4.11 0.00 1.79 1.81 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.68 4.41 0.00 3.99 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 95 A 7.70 4.48 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 96 P 0.00 4.39 0.00 2.21 2.16 0.00 3.59 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 2.20 2.18 0.00 97 L 8.57 5.19 0.00 1.73 1.49 0.98 1.34 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 98 I 8.55 4.85 1.84 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 0.88 0.36 0.85 0.00 0.00 99 E 8.81 4.57 0.00 2.05 1.77 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 2.27 2.23 0.00 100 V 8.68 4.74 1.67 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 0.15 0.00 0.00 0.66 0.00 0.00 101 H 9.05 4.90 0.00 2.99 3.10 0.00 5.67 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.59 3.82 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.15 0.95 0.00 0.00 103 S 7.89 4.66 0.00 3.96 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.38 4.50 0.00 2.73 2.76 0.00 0.00 6.62 7.71 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 0.00 105 V 8.14 3.61 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 0.42 0.00 0.00 0.86 0.00 0.00 106 H 7.85 4.48 0.00 3.12 3.32 0.00 5.63 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.80 4.74 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 0.00 108 R 7.30 4.58 0.00 1.59 1.54 0.00 3.17 0.00 0.00 3.14 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.67 0.00 109 E 8.26 4.05 0.00 1.16 1.47 0.00 0.00 0.00 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 2.30 0.00 110 E 8.63 3.95 0.00 2.00 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 2.37 2.24 0.00 111 F 7.84 4.33 0.00 3.19 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 0.00 112 R 6.72 3.34 0.00 1.58 1.77 0.00 2.89 0.00 0.00 3.09 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.55 0.00 113 R 7.70 4.11 0.00 1.93 2.01 0.00 3.09 0.00 0.00 3.43 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 114 H 7.56 4.87 0.00 3.07 3.12 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.89 4.72 0.00 3.76 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 0.00 116 Y 8.75 4.29 0.00 3.17 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 0.00 117 L 7.91 4.33 0.00 1.85 1.72 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.02 4.18 0.00 3.84 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 0.00 119 P 0.00 4.53 0.00 2.05 2.13 0.00 3.79 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 2.05 2.14 0.00 120 I 7.03 4.20 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.64 0.94 0.00 0.00 121 A 7.44 4.29 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 0.00 122 T 8.81 4.07 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 1.22 0.00 0.00 123 G 7.67 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 0.00 124 V 8.12 5.01 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 0.90 0.00 0.00 0.96 0.00 0.00 125 I 8.66 4.54 1.76 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.60 0.84 0.00 0.00 126 V 8.12 4.60 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 0.84 0.00 0.00 0.90 0.00 0.00 127 G 8.80 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.79 4.49 0.00 1.61 1.67 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.90 3.82 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 0.00 0.00 0.00 130 I 8.32 3.98 1.93 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 1.55 1.11 0.96 0.00 0.00 131 Q 8.25 4.24 0.00 2.14 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 2.45 2.45 0.00 132 G 7.95 3.60 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 0.00 0.00 0.00 133 Y 7.79 4.08 0.00 3.20 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 0.00 134 L 8.00 4.10 0.00 1.82 1.75 0.95 0.69 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 0.00 135 L 8.26 4.07 0.00 1.83 1.73 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.04 4.04 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 0.00 137 L 7.97 4.00 0.00 2.01 1.77 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.02 3.93 0.00 2.05 2.12 0.00 3.13 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 139 Y 7.94 4.09 0.00 3.09 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 0.00 140 L 7.60 3.98 0.00 1.92 1.76 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.85 4.11 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 0.00 142 E 7.78 3.94 0.00 1.89 1.74 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 2.29 2.29 0.00 143 H 7.93 4.45 0.00 2.56 3.00 0.00 5.88 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 * Residues marked with a * may have inaccurate shift predictions.