NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.8190 8.3649 120.2949 53.2491 41.4237 174.2787 6 F 4.6809 8.6311 123.8625 56.5741 40.1103 173.1726 7 E 3.9648 9.6679 126.5442 60.2711 30.6875 176.0231 8 E 3.8584 8.1184 119.4715 56.2000 27.1869 171.4063 9 K 4.7406 8.6957 122.3687 54.0701 35.3744 174.4165 10 M 4.3486 8.6348 125.1613 54.8787 31.8484 175.4313 11 I 3.8795 9.1623 126.5448 62.9719 36.7038 175.7172 12 L 5.0149 7.7882 120.3046 54.3374 44.9074 175.1199 13 I 5.4295 8.3775 119.7744 59.7881 40.8770 174.7385 14 R 4.7848 9.4196 121.8654 55.0367 33.8336 173.9555 15 R 4.8227 8.8356 119.3806 53.4480 31.2409 174.7845 16 T 4.4209 8.1193 116.4152 61.3479 70.9809 172.7545 17 A 4.9085 8.2007 121.6510 50.7455 22.4824 175.9418 18 R 4.6304 8.7754 115.9593 54.7259 33.2915 174.1613 19 M 4.7279 8.1305 119.2953 54.1757 34.3884 175.3195 20 Q 4.3617 8.5530 119.0821 55.1877 32.8508 172.8704 21 A 3.9876 8.5679 125.1057 53.7169 18.8523 176.9806 22 G 4.1505 9.0940 111.3789 44.1902 0.0000 173.3624 23 G 3.8728 7.5063 106.7705 45.6016 0.0000 170.9044 24 R 4.5985 8.1006 115.4707 54.7510 31.1884 175.8389 25 R 4.6499 8.8153 121.7976 54.7489 33.0163 174.8996 26 F 5.1851 8.7741 123.2254 56.3978 41.6525 173.8513 27 R 4.4113 7.5179 117.6507 55.8695 34.1658 173.2064 28 F 5.2448 8.6006 119.1293 55.6235 43.3955 174.0321 29 G 4.4201 9.0564 110.1343 44.4119 0.0000 172.0652 30 A 5.4294 9.7173 127.7202 49.9961 22.4167 174.3463 31 L 5.2899 9.3968 125.4068 53.5059 44.1561 175.3780 32 V 4.7792 9.4228 126.4198 61.0335 35.3283 174.0882 33 V 4.7943 8.7536 125.5129 61.1335 34.4986 174.7775 34 V 4.6286 8.8435 126.8048 61.3620 34.4845 174.1219 35 G 4.8889 8.4894 114.5351 44.3590 0.0000 172.5092 36 D 4.6727 9.0136 122.0432 57.7142 39.9349 177.7128 37 R 4.7410 7.9577 117.3032 56.5305 28.6149 175.5663 38 Q 4.4966 9.0890 114.4226 55.0900 30.2528 175.0759 39 G 3.7932 7.7715 107.9251 45.1152 0.0000 173.1708 40 R 5.3924 8.7254 119.7293 53.0890 33.3753 175.0437 41 V 4.7916 8.3063 116.4763 59.4126 36.2537 174.8758 42 G 4.5807 8.8708 110.3555 44.0461 0.0000 171.3789 43 L 5.0229 8.4974 124.2555 52.9711 44.3771 175.5966 44 G 4.2229 9.0730 114.2254 44.2814 0.0000 170.4675 45 F 5.5515 9.1057 127.4728 56.7264 40.7206 174.6503 46 G 4.1164 10.1538 114.6628 44.3038 0.0000 171.7590 47 K 5.6811 8.0992 122.9412 53.5147 35.3777 175.2992 48 A 4.4049 8.5623 123.1230 50.9634 21.7297 175.5087 49 P 4.3541 0.0000 0.0000 65.2306 31.9703 176.4713 50 E 4.5340 8.6712 118.1132 53.9053 32.7654 175.7339 51 V 3.1002 6.9321 124.4352 65.4636 32.0530 175.9277 52 P 4.1541 0.0000 0.0000 65.8152 31.3243 178.1423 53 L 3.9384 7.9604 116.4026 58.5899 41.6846 178.9443 54 A 3.9715 8.6241 120.2369 56.1849 18.2131 179.6163 55 V 3.2346 8.8368 113.0535 66.0276 31.7646 177.9502 56 Q 3.8602 8.7822 118.2606 59.7679 29.0846 179.6154 57 K 3.9787 8.4740 118.6088 59.7765 32.2397 178.9004 58 A 4.3118 8.3249 120.7852 55.3939 18.2735 179.5408 59 G 3.6826 8.0659 104.0020 48.3350 0.0000 174.5929 60 Y 4.2705 8.4326 122.6408 60.8730 38.5505 178.1923 61 Y 3.8553 8.6910 116.7917 61.3784 38.0257 178.2883 62 A 4.0190 8.5449 122.2489 54.6901 18.2345 179.4357 63 R 3.7631 8.1793 116.3808 59.4688 30.5616 178.8351 64 R 4.2352 7.4583 115.2128 57.0424 30.6102 175.7572 65 N 4.7847 9.8169 116.5322 53.0395 41.3382 172.5342 66 M 5.5379 8.2350 124.5010 53.8663 36.8582 174.6072 67 V 4.4787 8.2276 117.3555 60.6094 35.1823 173.9063 68 E 4.5862 8.7582 121.8942 55.9516 29.1947 175.8998 69 V 3.7645 9.3841 128.1424 61.7145 31.4663 174.8635 70 P 4.5867 0.0000 0.0000 62.3442 28.5720 175.6427 71 L 4.1249 7.6319 125.2470 56.0004 42.8913 176.7391 72 Q 4.2559 8.5869 112.0639 56.6275 31.8600 174.8933 73 N 4.1849 9.7850 120.7390 53.2639 38.2013 174.3400 74 G 4.0743 8.0614 104.0863 46.3902 0.0000 172.8090 75 T 5.2550 7.9319 113.3339 58.6589 70.8506 172.5319 76 I 3.9932 8.0261 122.5825 59.6654 38.6361 173.8812 77 P 4.5311 0.0000 0.0000 66.0101 31.4410 175.4186 78 H 4.7283 7.5050 111.4445 54.4109 31.0600 173.4285 79 E 4.6323 8.7711 118.7832 56.5509 30.1947 176.8806 80 I 4.6084 8.7962 116.2278 59.6590 41.4366 173.2632 81 E 5.1481 8.8096 124.5143 54.5923 31.7413 175.5379 82 V 4.3526 8.8404 123.8511 61.2770 34.7580 173.7686 83 E 4.8047 8.9212 128.0415 55.3639 30.6424 176.4418 84 F 4.6820 9.1349 127.1741 56.5861 40.9164 176.0597 85 G 3.6418 8.0064 119.0370 45.6013 0.0000 173.3283 86 A 4.1457 8.4166 123.3200 54.7431 19.4760 177.9340 87 S 4.5103 8.0068 110.6738 58.6283 64.6164 173.5461 88 K 5.1298 8.8811 122.6378 55.4880 36.4342 174.5570 89 I 4.8178 8.0525 120.1312 60.1177 41.8859 173.0256 90 V 4.8428 8.4819 128.5462 61.2155 34.5838 174.6100 91 L 4.9554 8.8948 125.8466 53.2833 45.3876 175.3529 92 K 4.8878 9.5664 125.5669 53.4347 35.1127 174.1867 93 P 4.7127 0.0000 0.0000 62.3052 31.7941 175.5501 94 A 4.8794 8.4767 125.2614 49.4455 21.4657 176.1338 95 A 4.0232 8.6508 122.7074 51.6319 19.0247 176.0874 96 P 4.9960 0.0000 0.0000 63.1149 32.0009 176.0131 97 G 3.9494 8.6254 105.9180 47.5341 0.0000 174.9415 98 T 4.2031 9.5276 116.0634 66.1621 70.1197 174.9001 99 G 4.1634 6.6885 102.4656 43.5446 0.0000 173.0732 100 V 4.5602 7.8232 121.4205 61.2259 30.7249 174.0215 101 I 4.2545 8.4453 117.4453 59.4994 37.5451 174.9276 102 A 5.2353 7.4143 129.4225 51.5927 22.6998 175.7680 103 G 3.6980 9.1371 107.6703 45.9608 0.0000 176.3107 104 A 3.7811 7.8997 122.4482 55.0120 19.4144 179.5742 105 V 3.6095 7.9974 117.4482 64.5014 31.5667 175.6526 106 P 4.2466 0.0000 0.0000 66.9143 30.8832 177.1193 107 R 4.0450 8.4634 118.6210 57.0499 29.2408 178.3504 108 A 4.0897 8.0922 121.0797 55.6828 19.1463 179.9283 109 I 3.5411 7.8374 118.3160 64.6113 37.3818 178.7697 110 L 4.0693 8.2171 119.8846 57.2971 41.1303 179.3505 111 E 3.9788 9.0705 120.1880 59.6282 29.4051 179.4112 112 L 4.1708 7.5710 117.7455 57.0844 41.4696 179.2242 113 A 3.9865 7.7288 121.4296 55.0164 18.0485 178.6116 114 G 3.9394 7.7864 103.4537 45.8190 0.0000 175.0221 115 V 3.9647 7.1347 113.0187 61.9422 31.7532 175.9657 116 T 4.6267 9.5440 119.3497 63.4876 71.9476 173.5496 117 D 5.0694 7.7600 120.8374 52.8626 44.9599 174.2901 118 I 4.4297 8.7148 121.6085 60.0752 42.2883 172.7146 119 L 4.9714 10.0515 129.4996 53.7388 44.0235 175.9200 120 T 5.2525 8.1376 112.1049 60.5506 73.0153 171.9764 121 K 4.6036 8.0164 119.8091 56.4841 35.2818 173.7131 122 E 4.7802 8.9812 127.3049 55.6498 30.5579 175.6923 123 L 4.6551 8.5470 123.6860 53.7802 45.6363 177.8721 124 G 3.9048 8.7442 108.2808 45.5953 0.0000 173.3340 125 S 4.0997 7.9799 116.9675 59.0302 62.7087 174.9799 126 R 4.3889 8.4787 125.3491 56.0180 30.2887 176.4495 127 N 4.2372 7.8202 117.1341 54.3290 40.1614 172.2033 128 P 4.2071 0.0000 0.0000 65.1271 31.2090 179.3818 129 I 3.6026 7.2847 118.4643 64.6248 37.9359 177.3564 130 N 4.5724 10.4436 117.6655 56.6176 38.4049 177.7526 131 I 3.7926 8.1172 121.2077 64.7719 37.2828 177.2125 132 A 3.8712 9.1029 121.1703 55.2913 17.7758 178.5055 133 Y 3.7391 8.5351 115.4156 60.2158 38.3002 179.4330 134 A 3.7924 7.9534 121.6852 55.3234 18.5726 179.5526 135 T 3.7523 8.4192 114.8567 67.9255 68.4927 175.7564 136 M 3.7235 7.7946 118.4728 58.9372 31.6560 178.2089 137 E 3.8286 8.0184 122.4374 59.9669 30.2644 179.3675 138 A 4.0540 7.6566 120.8221 54.9188 18.4227 179.1856 139 L 3.8640 8.0501 116.3385 58.0058 41.7836 179.8568 140 R 3.9793 7.9146 116.9694 58.2201 30.2807 176.4473 141 Q 4.5938 7.6078 114.6929 56.2461 29.6691 175.6375 142 L 4.4693 8.3686 118.7977 54.5905 42.4178 176.2875 143 R 4.7681 8.4544 118.2143 54.8225 34.2948 174.6899 144 T 4.6740 9.4680 110.0041 59.1212 71.4629 175.0961 145 K 3.7862 8.6867 123.0384 60.4921 31.8796 177.6307 146 A 4.2564 8.1439 121.7929 53.8849 18.0461 177.8680 147 D 4.4588 8.0719 117.5491 54.6202 40.0453 178.6106 148 V 3.8645 7.4876 121.0206 65.7925 31.9098 177.4604 149 E 4.1420 8.0900 116.9953 58.4280 29.5462 178.5836 150 R 3.9412 8.5472 119.7512 58.9746 30.0543 177.5071 151 L 4.3672 7.5498 117.5679 55.9697 42.4436 176.9512 152 R 4.4841 7.4724 116.6674 56.0154 29.8899 178.1447 153 K 3.7598 7.5521 118.1054 55.3342 33.2327 177.0522 154 G 3.5774 7.7718 111.1316 47.1277 0.0000 173.7883 *155 E 4.1319 7.8437 116.6820 56.1995 30.4399 177.5900 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 D 8.36 4.82 0.00 2.80 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 6 F 8.63 4.68 0.00 3.00 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 7 E 9.67 3.96 0.00 2.11 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 2.35 2.32 0.00 8 E 8.12 3.86 0.00 2.21 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 2.23 2.33 0.00 9 K 8.70 4.74 0.00 1.86 1.62 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.35 7.81 10 M 8.63 4.35 0.00 2.10 2.19 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 2.57 2.55 0.00 11 I 9.16 3.88 1.98 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 1.27 0.78 0.90 0.00 0.00 12 L 7.79 5.01 0.00 1.65 1.72 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.38 5.43 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 1.44 0.63 0.98 0.00 0.00 14 R 9.42 4.78 0.00 1.90 2.09 0.00 2.80 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.69 0.00 15 R 8.84 4.82 0.00 2.10 2.00 0.00 2.76 0.00 0.00 3.44 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.99 0.00 16 T 8.12 4.42 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 17 A 8.20 4.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.78 4.63 0.00 1.75 1.90 0.00 2.70 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 19 M 8.13 4.73 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 20 Q 8.55 4.36 0.00 1.90 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.79 0.00 0.00 0.00 0.00 0.00 2.11 2.29 0.00 21 A 8.57 3.99 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 22 G 9.09 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.51 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 0.00 0.00 0.00 24 R 8.10 4.60 0.00 1.48 1.73 0.00 2.88 0.00 0.00 2.81 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.12 0.00 25 R 8.82 4.65 0.00 1.77 1.71 0.00 3.05 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 26 F 8.77 5.19 0.00 2.57 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 27 R 7.52 4.41 0.00 1.87 1.61 0.00 2.99 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 28 F 8.60 5.24 0.00 3.09 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 29 G 9.06 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.72 5.43 1.29 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 0.00 0.00 31 L 9.40 5.29 0.00 1.71 1.57 0.85 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 32 V 9.42 4.78 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 1.01 0.00 0.00 1.00 0.00 0.00 33 V 8.75 4.79 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 0.82 0.00 0.00 0.89 0.00 0.00 34 V 8.84 4.63 1.92 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 0.79 0.00 0.00 0.95 0.00 0.00 35 G 8.49 4.89 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 0.00 0.00 0.00 36 D 9.01 4.67 0.00 2.94 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 37 R 7.96 4.74 0.00 1.93 2.35 0.00 3.23 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 1.47 1.49 0.00 38 Q 9.09 4.50 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 39 G 7.77 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.73 5.39 0.00 2.08 1.76 0.00 3.15 0.00 0.00 3.41 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.45 0.00 41 V 8.31 4.79 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 0.79 0.00 0.00 0.85 0.00 0.00 42 G 8.87 4.58 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 43 L 8.50 5.02 0.00 1.38 1.22 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.07 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 45 F 9.11 5.55 0.00 3.05 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 10.15 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 0.00 0.00 0.00 47 K 8.10 5.68 0.00 1.39 1.54 0.00 0.61 0.00 0.00 1.81 0.00 0.00 2.78 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.96 0.61 7.81 48 A 8.56 4.40 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 49 P 0.00 4.35 0.00 2.12 2.26 0.00 3.75 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 2.09 2.16 0.00 50 E 8.67 4.53 0.00 2.07 1.72 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 2.15 2.15 0.00 51 V 6.93 3.10 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 0.89 0.00 0.00 0.29 0.00 0.00 52 P 0.00 4.15 0.00 2.16 2.05 0.00 3.60 0.00 0.00 3.61 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 53 L 7.96 3.94 0.00 1.91 1.79 0.95 0.77 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 54 A 8.62 3.97 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.84 3.23 2.31 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 1.01 0.00 0.00 1.01 0.00 0.00 56 Q 8.78 3.86 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.46 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 57 K 8.47 3.98 0.00 2.21 2.39 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.33 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.64 1.70 7.81 58 A 8.32 4.31 1.61 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 59 G 8.07 3.68 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 0.00 0.00 0.00 60 Y 8.43 4.27 0.00 2.94 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 61 Y 8.69 3.86 0.00 3.20 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.54 4.02 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 63 R 8.18 3.76 0.00 1.74 2.11 0.00 3.30 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.90 0.00 64 R 7.46 4.24 0.00 1.39 1.89 0.00 2.98 0.00 0.00 3.04 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 65 N 9.82 4.78 0.00 2.80 2.76 0.00 0.00 6.83 7.53 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 66 M 8.24 5.54 0.00 1.77 1.82 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.29 0.00 67 V 8.23 4.48 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 0.80 0.00 0.00 0.90 0.00 0.00 68 E 8.76 4.59 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 69 V 9.38 3.76 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 0.76 0.00 0.00 1.00 0.00 0.00 70 P 0.00 4.59 0.00 2.22 2.08 0.00 3.82 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 71 L 7.63 4.12 0.00 1.66 1.69 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.59 4.26 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.42 5.91 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 73 N 9.78 4.18 0.00 2.85 2.93 0.00 0.00 7.43 7.98 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 74 G 8.06 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 7.93 5.26 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 1.29 0.00 0.00 76 I 8.03 3.99 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.92 1.00 0.00 0.00 77 P 0.00 4.53 0.00 2.49 2.20 0.00 3.87 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.01 0.00 78 H 7.51 4.73 0.00 3.14 3.24 0.00 5.53 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 79 E 8.77 4.63 0.00 1.85 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 0.00 2.32 2.38 0.00 80 I 8.80 4.61 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.51 0.75 0.00 0.00 81 E 8.81 5.15 0.00 1.84 1.89 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 2.20 2.26 0.00 82 V 8.84 4.35 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 1.02 0.00 0.00 0.93 0.00 0.00 83 E 8.92 4.80 0.00 1.92 1.89 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 2.28 2.31 0.00 84 F 9.13 4.68 0.00 2.87 2.97 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 85 G 8.01 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.42 4.15 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 87 S 8.01 4.51 0.00 4.04 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 88 K 8.88 5.13 0.00 1.78 1.65 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.39 7.81 89 I 8.05 4.82 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 1.11 1.38 0.95 0.00 0.00 90 V 8.48 4.84 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.96 0.00 0.00 91 L 8.89 4.96 0.00 1.72 1.48 0.91 0.84 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 92 K 9.57 4.89 0.00 1.57 1.67 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.33 7.81 93 P 0.00 4.71 0.00 2.08 2.19 0.00 3.33 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.83 0.00 94 A 8.48 4.88 1.22 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 95 A 8.65 4.02 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 96 P 0.00 5.00 0.00 2.05 2.03 0.00 3.88 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 97 G 8.63 3.95 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 0.00 0.00 0.00 98 T 9.53 4.20 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 99 G 6.69 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 0.00 100 V 7.82 4.56 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.94 0.00 0.00 101 I 8.45 4.25 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 1.24 0.80 0.91 0.00 0.00 102 A 7.41 5.24 1.19 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 0.00 103 G 9.14 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 0.00 104 A 7.90 3.78 1.31 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 0.00 0.00 105 V 8.00 3.61 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 1.06 0.00 0.00 0.92 0.00 0.00 106 P 0.00 4.25 0.00 2.28 2.31 0.00 3.84 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.05 0.00 107 R 8.46 4.04 0.00 1.93 2.12 0.00 3.13 0.00 0.00 3.17 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 108 A 8.09 4.09 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 0.00 109 I 7.84 3.54 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.95 0.85 0.00 0.00 110 L 8.22 4.07 0.00 1.80 1.70 0.90 0.94 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 0.00 111 E 9.07 3.98 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 2.33 2.41 0.00 112 L 7.57 4.17 0.00 1.52 1.72 0.95 0.85 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 0.00 113 A 7.73 3.99 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 0.00 114 G 7.79 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 0.00 115 V 7.13 3.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.94 0.00 0.00 116 T 9.54 4.63 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 0.00 117 D 7.76 5.07 0.00 2.60 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 0.00 118 I 8.71 4.43 1.86 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 1.21 0.96 0.90 0.00 0.00 119 L 10.05 4.97 0.00 1.81 1.55 0.92 0.45 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 0.00 120 T 8.14 5.25 4.33 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 1.20 0.00 0.00 121 K 8.02 4.60 0.00 1.88 1.66 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.25 1.33 7.81 122 E 8.98 4.78 0.00 1.89 1.87 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 2.28 2.34 0.00 123 L 8.55 4.66 0.00 1.58 1.51 0.92 0.59 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 0.00 124 G 8.74 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 0.00 0.00 0.00 125 S 7.98 4.10 0.00 3.82 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.48 4.39 0.00 1.84 1.93 0.00 3.29 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 127 N 7.82 4.24 0.00 2.75 2.72 0.00 0.00 7.19 8.29 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 0.00 128 P 0.00 4.21 0.00 2.15 1.90 0.00 3.66 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 129 I 7.28 3.60 1.92 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.59 0.68 0.00 0.00 130 N 10.44 4.57 0.00 2.94 3.01 0.00 0.00 7.17 7.31 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 0.00 131 I 8.12 3.79 2.04 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 1.73 1.44 0.97 0.00 0.00 132 A 9.10 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 0.00 133 Y 8.54 3.74 0.00 2.66 2.37 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 0.00 134 A 7.95 3.79 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 0.00 0.00 0.00 0.00 0.00 135 T 8.42 3.75 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 1.16 0.00 0.00 136 M 7.79 3.72 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.68 0.00 137 E 8.02 3.83 0.00 1.86 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 2.28 2.49 0.00 138 A 7.66 4.05 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 0.00 139 L 8.05 3.86 0.00 1.77 1.71 0.86 0.65 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 0.00 140 R 7.91 3.98 0.00 1.81 1.95 0.00 3.37 0.00 0.00 3.20 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 141 Q 7.61 4.59 0.00 2.30 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 142 L 8.37 4.47 0.00 1.67 1.65 0.94 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 0.00 143 R 8.45 4.77 0.00 1.60 1.72 0.00 3.31 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 144 T 9.47 4.67 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 1.24 0.00 0.00 145 K 8.69 3.79 0.00 1.82 1.86 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.51 7.81 146 A 8.14 4.26 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 0.00 147 D 8.07 4.46 0.00 2.87 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 0.00 148 V 7.49 3.86 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 1.03 0.00 0.00 0.88 0.00 0.00 149 E 8.09 4.14 0.00 2.18 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 0.00 2.65 2.30 0.00 150 R 8.55 3.94 0.00 1.87 2.06 0.00 3.25 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 151 L 7.55 4.37 0.00 1.77 1.70 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.47 4.48 0.00 1.80 1.94 0.00 3.17 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 153 K 7.55 3.76 0.00 1.74 1.74 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.63 1.39 7.81 154 G 7.77 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 *155 E 7.84 4.13 0.00 1.75 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 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.