NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.4556 8.4249 118.1791 52.9756 38.5272 173.4303 2 F 5.0505 8.1093 114.9730 56.3805 39.6186 174.7150 3 N 4.3550 8.4992 118.8902 54.0762 40.0705 174.6133 4 R 4.6320 7.9151 116.5115 55.1730 32.6923 173.9700 5 F 5.2753 8.7456 120.5996 56.7265 40.5326 175.7671 6 T 4.0992 9.0852 112.6898 61.8001 69.6987 175.2074 7 Q 4.0414 8.9516 121.6344 59.6036 28.6697 179.8216 8 R 3.9470 7.9820 118.1018 59.0650 30.2016 178.7600 9 A 4.0113 8.2946 120.7458 55.0817 18.3283 179.8276 10 K 3.7720 8.5456 117.4686 59.3378 32.0253 179.4038 11 K 3.8694 8.2140 119.6818 59.4784 32.1288 178.5879 12 A 4.1092 8.1284 120.9956 55.3227 18.3049 179.7035 13 I 3.6902 7.8141 118.2163 64.6355 37.0969 178.2812 14 D 4.4482 8.4612 120.1300 57.5952 40.6426 179.0347 15 L 4.0280 8.3250 119.3715 57.3136 41.5608 179.3705 16 A 4.1117 8.0862 121.0840 55.2031 18.3560 179.6591 17 F 3.8454 8.4283 116.2738 60.6397 38.9347 177.4424 18 E 3.9926 8.5552 119.0743 59.4444 29.4835 179.1017 19 S 4.0719 8.6210 115.3024 61.5135 62.9432 176.3562 20 A 3.8648 7.8971 123.4452 55.0042 18.0535 179.6021 21 K 3.8478 8.1401 118.1813 59.7414 32.1440 179.2329 22 S 4.5799 8.0285 114.4834 60.2737 62.9459 175.3704 23 L 4.4281 7.6711 120.8190 53.3199 41.3281 176.8817 24 G 4.0656 7.7206 106.6146 46.8531 0.0000 173.4520 25 H 4.9136 8.4571 116.6467 54.1379 30.3077 175.1314 26 N 4.8056 8.5887 119.4873 53.2598 38.7864 174.2186 27 I 4.9430 7.3770 120.1361 59.6174 40.9573 174.8114 28 V 3.6119 8.8005 128.0074 62.0106 32.7378 175.4916 29 G 4.5349 8.8723 115.5008 43.7762 0.0000 173.5267 30 S 4.2675 8.7734 114.0959 61.6695 62.5249 176.4284 31 E 3.8645 7.9976 120.4902 59.4629 29.4160 178.7390 32 H 4.2859 7.9664 116.7291 58.4803 28.6789 177.7476 33 I 3.6622 7.6390 121.2691 64.1604 36.9768 177.8880 34 L 3.8644 8.1352 121.4979 58.0887 41.7985 178.8505 35 L 3.9733 8.0087 120.2542 58.1213 42.0585 179.0399 36 G 3.6563 8.6568 105.9852 47.8139 0.0000 175.5254 37 L 3.9816 7.9889 120.6750 57.4963 42.0600 179.1378 38 L 4.1127 7.8740 120.1672 58.3244 41.8962 179.2793 39 R 4.0187 8.1188 116.8408 58.8918 29.9836 178.3436 40 E 3.9537 7.9450 118.5546 57.1637 29.5867 177.1265 41 E 4.3253 8.0062 122.1816 56.9489 28.8226 175.4801 42 E 4.2051 8.1944 115.3714 58.1893 30.3940 177.8130 43 G 3.8892 8.6389 105.8306 43.8157 0.0000 174.4544 44 I 3.6831 8.3448 121.1713 64.3724 37.0809 178.3659 45 A 3.9610 7.9622 121.0246 55.2948 18.1324 179.5369 46 A 3.9725 7.9568 118.5534 55.3601 18.5319 179.8909 47 K 3.9351 8.0633 117.0493 59.3319 32.0960 179.7876 48 V 3.5923 8.2952 118.9656 66.1901 31.5345 178.2169 49 L 4.2589 8.1154 118.7049 57.8091 41.5168 179.5045 50 S 4.3104 8.4513 113.4978 61.2250 62.1176 176.1156 51 K 3.9584 7.9225 121.4998 59.4699 32.0787 178.7099 52 V 3.8274 7.6894 110.5541 61.6917 31.6417 176.8702 53 G 3.9670 7.3843 106.7298 45.0957 0.0000 174.0147 54 F 4.4454 7.8258 118.9259 57.1573 39.8164 175.5664 55 T 4.7968 8.3479 114.2111 59.4268 72.7446 175.0784 56 E 3.9637 8.7655 120.8825 59.8157 29.5355 179.4487 57 A 4.0054 8.1159 119.9948 55.3914 18.4145 178.8868 58 Y 3.9542 8.2535 117.7936 60.8024 38.9526 178.2949 59 L 3.9188 7.9665 119.3616 57.8326 41.7887 179.0625 60 E 3.9679 8.3847 119.4540 59.1370 29.5459 178.8893 61 G 3.5891 7.9987 105.7018 47.9901 0.0000 175.8235 62 K 3.8076 7.5606 119.7316 58.7600 32.0338 179.3447 63 I 3.7398 7.4846 119.5069 64.3475 37.3358 178.2847 64 V 3.7657 7.8171 119.0487 65.9265 31.0885 177.6439 65 D 4.2714 7.5813 113.6553 55.8899 40.6252 177.1662 *67 E 4.0489 8.0862 118.6762 54.8186 31.3552 176.7733 68 G 3.8940 8.4266 108.0589 44.3527 0.0000 172.3199 69 K 4.6942 8.3171 118.3540 54.6124 35.1630 175.8458 70 G 4.2443 9.0282 113.9284 43.8856 0.0000 172.5114 71 E 4.2357 8.5794 119.4543 55.9595 29.9388 177.3916 72 E 3.9869 8.9386 123.8952 56.7764 29.7989 176.0939 73 I 4.4349 8.1691 124.5297 59.2404 40.1820 175.2477 74 S 4.6404 8.2985 117.9883 57.0887 63.6986 173.2066 75 E 4.6405 8.1664 121.2528 54.8406 31.5952 174.5685 76 D 4.3735 8.7439 119.7854 54.7903 41.5591 175.2558 77 I 4.8464 8.3481 126.9791 59.8313 39.4765 175.2998 78 V 4.8267 8.4408 118.3769 59.3643 36.3741 174.8239 79 L 4.6416 8.5868 122.4074 54.6190 42.4268 177.4031 80 S 4.3789 8.7224 117.7637 57.4131 64.3311 173.5465 81 P 4.2353 0.0000 0.0000 65.8160 30.9691 179.0302 82 R 3.9005 7.9432 117.0639 59.2984 29.9634 178.5449 83 S 4.1344 8.1392 115.1370 61.5424 62.7876 176.7474 84 K 4.1206 8.2481 121.1550 59.6803 31.7361 179.4063 85 Q 4.1516 8.4217 118.4874 58.9897 28.5307 178.8500 86 I 3.7836 8.2180 121.2422 64.5771 37.0592 178.5411 87 L 4.2250 8.2514 119.7725 57.7622 41.2192 179.4336 88 E 4.0149 8.3212 118.0522 59.3746 29.5087 178.7854 89 L 4.0785 8.1927 119.8965 58.0168 42.4102 178.7399 90 S 4.8443 8.6520 114.7784 61.4005 62.7532 177.5064 91 G 3.5736 7.7799 107.9540 44.7056 0.0000 175.3843 *93 F 4.7214 8.1012 120.9551 57.1934 41.1931 177.4793 94 A 3.8792 8.1530 122.1311 55.2081 17.9986 179.4749 95 N 4.2355 8.4637 115.3398 56.2235 38.3820 177.3418 96 K 3.8596 8.0438 119.4957 59.4696 32.3160 177.6646 97 L 4.3512 7.8988 115.5814 53.4795 42.6381 176.7031 98 K 3.7848 7.7251 118.1332 57.9526 30.1870 174.6359 99 T 4.6447 7.9107 113.6187 61.8553 71.1385 175.5091 100 N 4.2003 8.2940 121.1194 55.0734 38.9567 175.1348 101 Y 4.9486 7.3240 114.5224 56.0030 41.5890 175.3141 102 I 4.0464 9.1487 125.8841 60.9651 38.4595 176.0087 103 G 4.4087 9.0058 115.2521 44.6752 0.0000 173.7593 104 T 4.0813 8.6994 109.8327 64.9710 68.2894 176.0576 105 E 3.9226 8.1154 119.7850 59.5517 29.6404 178.7785 106 H 4.1914 8.0237 116.7187 58.4682 28.6835 177.8569 107 I 3.8258 7.7934 121.2834 64.3617 37.0962 178.0278 108 L 3.9181 8.0659 121.2346 57.9668 41.8026 178.6276 109 L 3.7360 7.9469 120.0872 58.1097 41.8838 178.9231 110 A 4.3604 8.1088 120.6293 55.1569 18.4511 179.5812 111 I 3.6740 8.0375 118.5254 64.6652 36.9977 178.7331 112 I 3.7310 7.5496 119.0598 64.4522 37.0480 177.9477 113 Q 4.1878 8.2624 119.4153 59.0888 28.8514 177.3286 114 E 4.1042 8.6202 120.9936 58.8872 29.4752 179.0549 115 G 4.0724 8.2832 104.3089 45.1426 0.0000 171.9569 116 E 4.6487 7.5545 115.0678 54.5150 32.6578 176.0828 117 G 4.0526 8.5366 102.8243 45.8221 0.0000 174.6239 118 I 3.6970 8.1292 118.7882 63.9039 36.9840 178.4449 119 A 3.9245 7.8634 121.6859 55.5459 18.1950 179.5365 120 N 4.3476 8.1136 114.2128 56.2930 38.6548 177.5949 121 K 4.0350 8.1148 120.0186 59.6354 32.1312 179.4599 122 I 3.8997 8.1070 120.2296 64.3490 37.0577 178.4497 123 L 4.3341 8.1626 119.9138 57.9767 41.4408 179.4170 124 N 4.4157 8.7681 116.8867 56.5121 38.3014 176.8364 125 Y 3.9847 8.4996 119.9987 60.6398 39.0197 177.6603 126 A 4.3415 8.4850 120.1181 52.8308 18.5367 178.1642 127 G 3.8381 8.0499 105.0435 46.3347 0.0000 174.4040 128 V 4.4045 7.8504 110.3311 60.4506 32.9366 177.4031 129 N 4.3433 8.4487 120.3599 57.2152 38.7669 176.6186 130 D 4.4071 8.0473 119.7332 57.1424 40.8883 178.5710 131 R 3.8754 7.9434 118.9365 59.6047 30.0778 178.5365 132 T 3.8681 8.2915 115.9277 66.5353 68.4147 176.2311 133 L 3.9084 7.9562 121.9648 58.1935 42.1115 178.8937 134 A 3.9572 8.1681 120.6624 55.1697 18.3352 179.3401 135 Q 3.8923 8.3463 118.3465 59.1881 28.9067 178.2144 136 L 3.9314 8.0146 120.5257 58.5050 42.1988 178.8311 137 T 4.0064 7.9086 114.8110 66.6638 68.5080 176.5428 138 I 3.8834 7.6576 113.6738 63.8023 37.7046 176.2195 139 D 4.6237 8.0508 124.3640 54.4435 40.8201 175.8934 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 1 N 8.42 4.46 0.00 2.73 2.81 0.00 0.00 5.90 6.55 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 2 F 8.11 5.05 0.00 3.08 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 3 N 8.50 4.35 0.00 2.65 2.60 0.00 0.00 6.63 7.68 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 4 R 7.92 4.63 0.00 1.92 2.01 0.00 3.00 0.00 0.00 3.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.84 0.00 5 F 8.75 5.28 0.00 3.04 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 6 T 9.09 4.10 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 1.37 0.00 0.00 7 Q 8.95 4.04 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 8 R 7.98 3.95 0.00 1.88 2.10 0.00 3.14 0.00 0.00 3.49 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 9 A 8.29 4.01 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.55 3.77 0.00 1.94 1.85 0.00 1.85 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.52 1.78 7.81 11 K 8.21 3.87 0.00 1.87 1.98 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.51 7.81 12 A 8.13 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 13 I 7.81 3.69 1.86 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.78 1.01 0.00 0.00 14 D 8.46 4.45 0.00 2.82 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 15 L 8.32 4.03 0.00 1.84 1.72 1.02 1.12 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 16 A 8.09 4.11 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 17 F 8.43 3.85 0.00 3.29 3.14 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 18 E 8.56 3.99 0.00 2.06 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 0.00 2.32 2.37 0.00 19 S 8.62 4.07 0.00 4.01 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 20 A 7.90 3.86 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 21 K 8.14 3.85 0.00 1.88 1.98 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 22 S 8.03 4.58 0.00 4.03 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 23 L 7.67 4.43 0.00 1.39 1.40 0.89 0.79 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 24 G 7.72 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 25 H 8.46 4.91 0.00 3.09 3.15 0.00 5.67 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.59 4.81 0.00 2.76 3.23 0.00 0.00 6.00 7.77 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 27 I 7.38 4.94 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.65 0.87 0.00 0.00 28 V 8.80 3.61 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 0.55 0.00 0.00 -0.18 0.00 0.00 29 G 8.87 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.77 4.27 0.00 4.04 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 31 E 8.00 3.86 0.00 2.05 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 1.98 2.22 0.00 32 H 7.97 4.29 0.00 3.30 3.47 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.64 3.66 2.00 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 1.48 0.83 0.90 0.00 0.00 34 L 8.14 3.86 0.00 1.75 1.74 0.82 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.01 3.97 0.00 1.83 1.77 0.91 0.83 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 36 G 8.66 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 37 L 7.99 3.98 0.00 1.78 1.74 0.91 1.08 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 38 L 7.87 4.11 0.00 1.77 1.79 0.98 1.12 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 39 R 8.12 4.02 0.00 1.87 1.99 0.00 3.22 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.77 0.00 40 E 7.95 3.95 0.00 2.11 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 2.33 2.71 0.00 41 E 8.01 4.33 0.00 2.23 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 2.23 2.51 0.00 42 E 8.19 4.21 0.00 2.18 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 2.30 0.00 43 G 8.64 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 0.00 0.00 0.00 44 I 8.34 3.68 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 1.57 0.49 0.89 0.00 0.00 45 A 7.96 3.96 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 46 A 7.96 3.97 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 47 K 8.06 3.94 0.00 1.93 1.88 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.72 1.59 7.81 48 V 8.30 3.59 2.25 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 1.12 0.00 0.00 1.05 0.00 0.00 49 L 8.12 4.26 0.00 1.83 1.90 0.89 0.76 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 50 S 8.45 4.31 0.00 3.91 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.92 3.96 0.00 1.87 2.01 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.60 1.50 7.81 52 V 7.69 3.83 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 0.79 0.00 0.00 0.91 0.00 0.00 53 G 7.38 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 54 F 7.83 4.45 0.00 3.25 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 55 T 8.35 4.80 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 1.26 0.00 0.00 56 E 8.77 3.96 0.00 2.07 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 0.00 2.43 2.42 0.00 57 A 8.12 4.01 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 58 Y 8.25 3.95 0.00 3.23 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 L 7.97 3.92 0.00 1.88 1.63 0.76 0.55 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 60 E 8.38 3.97 0.00 2.11 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 0.00 2.27 2.30 0.00 61 G 8.00 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 0.00 0.00 0.00 62 K 7.56 3.81 0.00 1.61 1.63 0.00 1.18 0.00 0.00 1.47 0.00 0.00 2.52 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.73 1.17 7.81 63 I 7.48 3.74 1.93 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.47 0.88 0.00 0.00 64 V 7.82 3.77 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 0.97 0.00 0.00 0.93 0.00 0.00 65 D 7.58 4.27 0.00 2.74 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.09 4.05 0.00 2.06 1.90 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 2.11 2.23 0.00 68 G 8.43 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 0.00 0.00 0.00 69 K 8.32 4.69 0.00 1.70 1.61 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.38 7.81 70 G 9.03 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 0.00 0.00 0.00 0.00 71 E 8.58 4.24 0.00 1.86 1.90 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 2.31 2.34 0.00 72 E 8.94 3.99 0.00 2.02 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 2.45 2.32 0.00 73 I 8.17 4.43 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 1.47 0.89 0.91 0.00 0.00 74 S 8.30 4.64 0.00 3.97 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 75 E 8.17 4.64 0.00 2.05 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 0.00 2.15 2.26 0.00 76 D 8.74 4.37 0.00 2.65 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.35 4.85 2.12 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.00 0.91 0.00 0.00 78 V 8.44 4.83 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 0.77 0.00 0.00 0.95 0.00 0.00 79 L 8.59 4.64 0.00 1.59 1.62 1.05 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.72 4.38 0.00 3.90 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 81 P 0.00 4.24 0.00 2.18 2.15 0.00 3.59 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 2.11 2.15 0.00 82 R 7.94 3.90 0.00 1.88 1.92 0.00 3.18 0.00 0.00 3.44 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 83 S 8.14 4.13 0.00 4.15 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 84 K 8.25 4.12 0.00 1.99 1.90 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.65 7.81 85 Q 8.42 4.15 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 86 I 8.22 3.78 2.09 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 1.58 0.75 0.98 0.00 0.00 87 L 8.25 4.23 0.00 1.97 2.04 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.32 4.01 0.00 2.12 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 2.37 2.47 0.00 89 L 8.19 4.08 0.00 1.92 1.99 0.82 1.05 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 90 S 8.65 4.84 0.00 4.22 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 91 G 7.78 3.57 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 0.00 0.00 0.00 *93 F 8.10 4.72 0.00 3.36 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.15 3.88 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 95 N 8.46 4.24 0.00 2.78 2.84 0.00 0.00 6.66 8.10 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 96 K 8.04 3.86 0.00 1.71 2.07 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.63 7.81 97 L 7.90 4.35 0.00 1.73 1.74 1.09 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.73 3.78 0.00 1.83 1.81 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.37 7.81 99 T 7.91 4.64 4.20 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 1.35 0.00 0.00 100 N 8.29 4.20 0.00 1.62 1.42 0.00 0.00 6.74 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 7.32 4.95 0.00 2.87 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 9.15 4.05 1.66 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.64 1.07 0.00 0.00 103 G 9.01 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 0.00 0.00 0.00 0.00 104 T 8.70 4.08 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 105 E 8.12 3.92 0.00 2.08 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 0.00 1.99 2.18 0.00 106 H 8.02 4.19 0.00 3.51 3.67 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.79 3.83 2.06 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 1.74 0.95 0.95 0.00 0.00 108 L 8.07 3.92 0.00 1.75 1.63 0.91 0.42 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 0.00 109 L 7.95 3.74 0.00 1.70 1.16 0.68 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.11 4.36 1.66 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 0.00 111 I 8.04 3.67 2.03 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 1.53 1.17 0.91 0.00 0.00 112 I 7.55 3.73 1.99 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 1.43 0.55 0.93 0.00 0.00 113 Q 8.26 4.19 0.00 2.43 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.87 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 114 E 8.62 4.10 0.00 2.12 2.28 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 2.34 2.51 0.00 115 G 8.28 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 0.00 116 E 7.55 4.65 0.00 2.09 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 2.20 2.40 0.00 117 G 8.54 4.05 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 0.00 0.00 0.00 118 I 8.13 3.70 2.01 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 1.53 0.61 0.83 0.00 0.00 119 A 7.86 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 0.00 120 N 8.11 4.35 0.00 2.84 2.91 0.00 0.00 7.06 7.68 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 0.00 121 K 8.11 4.03 0.00 1.97 1.90 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.51 7.81 122 I 8.11 3.90 1.98 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.74 1.01 0.00 0.00 123 L 8.16 4.33 0.00 1.93 1.85 0.95 0.65 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 0.00 124 N 8.77 4.42 0.00 3.02 2.93 0.00 0.00 6.66 7.18 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 0.00 125 Y 8.50 3.98 0.00 3.09 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 A 8.49 4.34 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 0.00 127 G 8.05 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 0.00 128 V 7.85 4.40 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 0.64 0.00 0.00 0.93 0.00 0.00 129 N 8.45 4.34 0.00 2.81 2.85 0.00 0.00 7.12 8.49 0.00 0.00 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 D 8.05 4.41 0.00 2.73 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 0.00 131 R 7.94 3.88 0.00 1.90 2.07 0.00 3.20 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 132 T 8.29 3.87 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 133 L 7.96 3.91 0.00 1.78 1.86 0.90 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.17 3.96 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 0.00 135 Q 8.35 3.89 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 136 L 8.01 3.93 0.00 1.71 1.86 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 137 T 7.91 4.01 4.37 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 1.21 0.00 0.00 138 I 7.66 3.88 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 1.74 0.52 0.95 0.00 0.00 139 D 8.05 4.62 0.00 2.85 2.62 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 * Residues marked with a * may have inaccurate shift predictions.