NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.3803 8.4244 118.0491 53.3391 39.8634 172.7559 6 D 4.2042 8.1211 117.0763 55.2879 41.3362 177.0405 7 W 4.4305 7.5214 115.0816 58.1445 29.6417 176.4291 8 L 3.8174 6.9725 119.5448 54.9896 41.5774 175.2566 9 D 4.4914 7.4962 117.7297 53.2792 41.0965 175.9981 10 F 5.1136 8.4355 124.8167 57.1105 39.2299 176.1418 11 D 4.7409 7.6338 120.2546 52.1437 39.8534 173.5139 12 Q 4.5096 8.4131 121.8258 57.3183 34.7904 175.6455 *21 A 4.3798 8.1092 120.2861 51.2279 20.2744 176.4217 22 L 4.7937 7.7996 113.7794 52.8053 44.3611 176.1848 23 K 4.6784 8.3721 122.1269 53.5956 35.5258 174.5470 24 P 4.4624 0.0000 0.0000 61.6729 31.9771 174.7863 25 P 4.4546 0.0000 0.0000 62.9469 31.7830 176.5465 26 S 4.6540 8.4494 116.7278 58.2629 64.8129 173.5267 27 M 4.9450 8.4296 120.6608 55.4501 33.7823 174.9994 28 Y 5.1062 9.4938 117.9004 56.2550 42.5775 175.1268 29 K 4.6460 9.3770 123.5130 56.2543 33.9168 175.9506 30 V 4.8764 9.1503 124.5246 61.4351 33.6165 174.4379 31 I 5.0089 9.2964 128.7291 59.4168 40.7299 174.0475 32 L 4.9125 8.7211 128.0251 53.4783 43.9406 175.1131 33 V 4.6218 8.3979 126.4429 61.0566 33.2506 175.0068 34 N 4.8059 8.8248 126.2769 53.9307 39.3189 173.5934 35 D 4.7645 8.3747 121.5761 52.6721 42.2642 175.1307 36 D 4.7387 8.6418 118.4268 54.6269 41.0183 176.6938 37 Y 4.4834 8.0692 117.2935 59.2967 40.2369 176.7360 38 T 3.8995 8.9975 117.2286 62.7470 68.9920 172.6938 39 P 4.4302 0.0000 0.0000 62.4051 32.5786 176.8988 40 M 4.0285 8.9074 121.0006 59.0858 32.0728 178.6490 41 E 4.0770 8.2380 116.9332 59.3134 29.6442 178.6969 42 F 4.2383 8.2122 121.5651 60.9684 39.4277 177.3983 43 V 3.6533 7.8904 117.6226 66.0101 31.4876 177.9418 44 I 3.7378 7.7339 119.3939 64.2757 36.9031 177.6617 45 D 4.3188 8.4561 119.3350 57.5397 40.9526 178.5937 46 V 3.7329 7.7892 118.5888 66.2197 31.0923 178.0146 47 L 4.4951 8.2749 118.6259 57.8638 40.8837 179.5351 48 Q 4.3726 8.2694 119.4711 58.0478 28.6220 178.3504 49 K 3.6715 8.2229 120.0326 58.4459 32.2763 177.9625 50 F 4.4224 8.0069 115.1714 57.0781 39.9104 176.0713 51 F 4.7255 7.4372 114.0743 56.0647 40.7007 174.8441 52 S 3.8269 7.7246 114.3625 59.5952 60.4091 171.6799 53 Y 4.5019 7.3899 117.2732 57.5495 38.5264 175.4573 54 D 4.7090 8.5417 123.0838 52.6150 41.9803 177.5066 55 V 3.5942 8.3227 118.6102 66.3001 31.2837 177.6149 56 E 3.9359 8.1362 117.5065 59.6745 29.4857 179.3180 57 R 3.8579 8.5274 118.3586 59.0971 30.0325 178.3638 58 A 3.9218 8.2538 120.9820 55.3972 18.3793 179.7750 59 T 3.8303 8.2201 114.5515 66.7449 68.4983 177.0408 60 Q 3.9884 8.0525 120.0286 59.0163 28.6835 178.8671 61 L 3.9251 7.8659 119.9819 57.8036 41.5950 179.1551 62 M 4.0191 8.2145 118.3372 58.7699 32.0879 178.3660 63 L 4.0372 7.9873 118.8795 57.5740 41.7727 179.3626 64 A 4.0628 8.1367 120.9604 55.1094 18.3201 179.7566 65 V 3.5575 8.1625 117.2107 66.3106 31.3354 177.7140 66 H 3.9703 7.9261 116.7517 59.6218 29.8233 176.4882 67 Y 4.3331 8.0176 116.9586 60.2937 38.0567 177.1512 68 Q 4.3961 8.7579 117.1146 55.9832 29.6236 176.4910 69 G 4.0415 9.8167 109.3810 45.1930 0.0000 173.0879 70 K 4.7694 7.3720 115.1211 56.5860 34.8621 173.8344 71 A 4.6548 8.1256 119.5170 50.7748 22.9252 175.6959 72 I 4.2616 8.3357 122.4412 61.6354 37.3400 175.8594 73 C 4.3124 9.5229 125.1660 59.7930 29.4203 173.8691 74 G 3.8946 7.0184 105.8486 46.1599 0.0000 171.5835 75 V 4.8596 7.3212 119.1944 60.9704 33.8831 174.4078 76 F 5.2068 9.2039 125.5116 55.6681 44.2747 174.2124 77 T 4.3733 8.7284 109.2607 61.5091 69.4268 175.0884 78 A 3.7129 8.3653 124.3820 55.3775 18.1284 179.7843 79 E 3.7840 8.1100 117.0475 59.6051 29.7491 179.1487 80 V 3.5283 7.9331 117.9751 65.6807 31.5241 177.8097 81 A 3.9870 8.5127 121.1169 55.2068 18.2819 179.1605 82 E 3.8079 8.3217 118.0132 59.6699 29.6014 179.3021 83 T 3.8184 7.5907 115.8590 66.5078 68.5358 176.9053 84 K 3.7393 8.0038 120.4959 59.3082 32.0301 179.5306 85 V 3.5777 7.9452 118.3100 66.0142 31.4492 177.9818 86 A 3.9789 7.9500 120.4756 55.3382 18.1916 179.5535 87 M 3.8906 8.0295 117.2766 58.3346 31.9086 179.1846 88 V 2.7630 7.3465 118.2303 65.9353 31.6907 177.8878 89 N 4.3605 8.1395 116.1862 56.0784 38.2141 177.4252 90 K 3.9558 8.2046 121.2439 59.5839 32.2929 178.3245 91 Y 4.2140 8.1336 119.6946 60.6174 38.7314 177.8242 92 A 4.2074 8.6067 122.1037 55.2959 18.5949 179.5226 93 R 3.7854 8.1917 117.3111 59.7570 29.9406 178.6373 94 E 4.0381 8.3892 117.3482 58.5470 29.4115 178.0294 95 N 4.5370 7.3020 113.7808 51.6880 39.1370 174.4750 96 E 3.6679 7.7396 118.3889 57.9860 27.5921 174.1588 97 H 4.9623 7.8248 114.1257 53.4779 31.7112 172.1270 98 P 4.6079 0.0000 0.0000 62.9143 31.7106 175.9545 99 L 4.3079 8.0241 121.1776 55.5857 42.4065 175.1418 100 L 4.8486 8.5563 128.5468 53.6559 44.0845 174.1611 101 C 5.3724 9.2172 127.1770 57.9534 33.6239 172.6031 102 T 5.0143 9.1510 115.5296 59.8810 72.5373 172.0824 103 L 5.5489 8.3373 120.4495 54.4618 44.0798 175.3744 104 E 4.8526 9.0628 118.9539 54.6926 33.5525 174.4585 105 K 3.3807 8.5806 125.4293 56.4077 32.7929 176.6415 106 A 4.1539 8.3450 125.6456 52.2142 17.8968 177.2359 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 N 8.42 4.38 0.00 1.46 2.08 0.00 0.00 6.86 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 6 D 8.12 4.20 0.00 2.60 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 W 7.52 4.43 0.00 3.56 3.32 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 8 L 6.97 3.82 0.00 0.64 1.22 0.50 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 9 D 7.50 4.49 0.00 2.78 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 10 F 8.44 5.11 0.00 3.13 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 11 D 7.63 4.74 0.00 2.86 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 12 Q 8.41 4.51 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 *21 A 8.11 4.38 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 22 L 7.80 4.79 0.00 1.58 1.56 0.92 0.80 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 23 K 8.37 4.68 0.00 1.70 1.67 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.42 7.81 24 P 0.00 4.46 0.00 2.06 2.00 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 25 P 0.00 4.45 0.00 2.10 2.05 0.00 3.70 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 2.06 2.14 0.00 26 S 8.45 4.65 0.00 3.74 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 27 M 8.43 4.95 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.55 0.00 28 Y 9.49 5.11 0.00 2.90 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 9.38 4.65 0.00 1.71 1.75 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.37 7.81 30 V 9.15 4.88 2.49 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 1.26 0.00 0.00 1.33 0.00 0.00 31 I 9.30 5.01 1.92 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 1.13 0.71 0.99 0.00 0.00 32 L 8.72 4.91 0.00 1.68 1.51 1.00 0.91 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 33 V 8.40 4.62 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 0.81 0.00 0.00 0.97 0.00 0.00 34 N 8.82 4.81 0.00 3.02 2.70 0.00 0.00 6.96 8.14 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 35 D 8.37 4.76 0.00 3.03 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.64 4.74 0.00 2.31 2.38 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 37 Y 8.07 4.48 0.00 3.02 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 38 T 9.00 3.90 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 1.36 0.00 0.00 39 P 0.00 4.43 0.00 2.22 1.98 0.00 3.28 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 40 M 8.91 4.03 0.00 2.09 2.07 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 2.67 2.63 0.00 41 E 8.24 4.08 0.00 2.30 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 0.00 2.43 2.48 0.00 42 F 8.21 4.24 0.00 3.15 3.24 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 43 V 7.89 3.65 2.27 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 1.07 0.00 0.00 1.11 0.00 0.00 44 I 7.73 3.74 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 1.43 0.89 0.94 0.00 0.00 45 D 8.46 4.32 0.00 2.87 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 46 V 7.79 3.73 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 1.30 0.00 0.00 0.83 0.00 0.00 47 L 8.27 4.50 0.00 2.02 1.98 0.98 0.83 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 48 Q 8.27 4.37 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.82 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 49 K 8.22 3.67 0.00 1.33 1.39 0.00 0.61 0.00 0.00 0.72 0.00 0.00 2.70 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.30 0.72 7.81 50 F 8.01 4.42 0.00 2.70 2.30 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 51 F 7.44 4.73 0.00 3.27 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 52 S 7.72 3.83 0.00 3.95 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 53 Y 7.39 4.50 0.00 3.26 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 54 D 8.54 4.71 0.00 2.99 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 55 V 8.32 3.59 2.10 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 1.17 0.00 0.00 1.02 0.00 0.00 56 E 8.14 3.94 0.00 2.25 1.99 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 2.41 2.44 0.00 57 R 8.53 3.86 0.00 1.98 2.02 0.00 3.02 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.14 0.00 58 A 8.25 3.92 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.22 3.83 4.38 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 1.22 0.00 0.00 60 Q 8.05 3.99 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 61 L 7.87 3.93 0.00 1.63 1.57 0.08 0.48 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 62 M 8.21 4.02 0.00 2.20 2.13 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 2.61 2.75 0.00 63 L 7.99 4.04 0.00 2.00 1.88 0.98 0.83 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 64 A 8.14 4.06 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 65 V 8.16 3.56 2.29 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 1.02 0.00 0.00 1.00 0.00 0.00 66 H 7.93 3.97 0.00 3.03 3.23 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 8.02 4.33 0.00 3.13 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 68 Q 8.76 4.40 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.50 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 69 G 9.82 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 0.00 0.00 0.00 70 K 7.37 4.77 0.00 1.92 1.77 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.26 1.37 7.81 71 A 8.13 4.65 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.34 4.26 1.85 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 1.34 0.57 0.89 0.00 0.00 73 C 9.52 4.31 0.00 2.21 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 74 G 7.02 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 75 V 7.32 4.86 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 0.85 0.00 0.00 0.84 0.00 0.00 76 F 9.20 5.21 0.00 3.02 2.93 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 77 T 8.73 4.37 4.31 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 1.29 0.00 0.00 78 A 8.37 3.71 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 79 E 8.11 3.78 0.00 2.03 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 0.00 2.36 2.35 0.00 80 V 7.93 3.53 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 0.71 0.00 0.00 0.94 0.00 0.00 81 A 8.51 3.99 1.53 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 82 E 8.32 3.81 0.00 2.00 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 2.25 2.28 0.00 83 T 7.59 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 1.17 0.00 0.00 84 K 8.00 3.74 0.00 1.76 1.65 0.00 0.61 0.00 0.00 0.92 0.00 0.00 2.36 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.11 1.10 7.81 85 V 7.95 3.58 2.20 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 1.06 0.00 0.00 1.06 0.00 0.00 86 A 7.95 3.98 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 87 M 8.03 3.89 0.00 1.92 1.96 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 2.73 2.55 0.00 88 V 7.35 2.76 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 1.17 0.00 0.00 0.67 0.00 0.00 89 N 8.14 4.36 0.00 2.83 2.86 0.00 0.00 6.73 7.34 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 90 K 8.20 3.96 0.00 1.91 2.01 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.51 1.48 7.81 91 Y 8.13 4.21 0.00 3.30 3.17 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 0.00 0.00 0.00 92 A 8.61 4.21 1.60 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 93 R 8.19 3.79 0.00 1.97 2.16 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 94 E 8.39 4.04 0.00 2.12 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 0.00 2.35 2.48 0.00 95 N 7.30 4.54 0.00 2.28 2.33 0.00 0.00 7.03 8.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 7.74 3.67 0.00 1.91 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 2.14 2.12 0.00 97 H 7.82 4.96 0.00 2.73 2.97 0.00 5.65 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.61 0.00 2.19 2.06 0.00 3.82 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.92 0.00 99 L 8.02 4.31 0.00 1.83 1.89 1.09 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.56 4.85 0.00 1.84 1.55 1.00 0.83 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 0.00 101 C 9.22 5.37 0.00 3.07 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 T 9.15 5.01 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 0.00 103 L 8.34 5.55 0.00 1.92 1.77 0.99 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 104 E 9.06 4.85 0.00 2.11 1.81 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 2.19 2.29 0.00 105 K 8.58 3.38 0.00 1.45 1.47 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.57 1.05 7.81 106 A 8.34 4.15 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 * Residues marked with a * may have inaccurate shift predictions.