NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3335 8.3301 115.4066 58.2802 64.2119 172.9436 4 A 4.0900 8.2949 121.3501 51.1013 18.8040 175.4257 5 Q 4.4079 8.3137 113.6895 54.5412 32.7371 172.2970 6 F 5.1007 8.3515 117.3937 56.1357 40.6368 175.2931 7 D 4.9416 8.5984 123.9876 53.7510 43.5616 175.2473 8 H 4.0637 8.4883 115.8221 57.6546 26.0142 174.7033 9 V 4.3969 7.5480 109.7709 59.8625 35.2467 175.9477 10 T 4.5231 8.3618 118.7887 62.0787 70.5891 174.1733 11 V 4.7419 8.0824 124.8573 61.0010 34.1682 174.7805 12 I 4.0078 8.3112 129.3437 60.9514 37.1099 176.5110 13 K 4.0515 8.8449 127.0045 59.1678 32.2661 177.8053 14 K 4.0489 7.8859 120.1197 56.0459 32.4279 176.4841 15 S 4.3245 8.4373 121.0619 58.2957 64.6071 172.8900 16 N 4.7854 8.9623 118.5194 51.4193 40.7123 174.0586 17 V 4.7593 7.7453 123.1545 61.2358 34.4101 173.8924 18 Y 4.7068 8.5600 124.0751 55.7812 42.9267 174.7372 19 F 3.7432 8.9412 115.2155 58.9764 36.4088 176.4258 20 G 3.7453 9.2057 103.7790 46.8947 0.0000 175.1663 21 G 4.0454 8.3711 106.1480 45.0815 0.0000 175.3124 22 L 4.3576 8.0253 120.1583 55.6166 42.3542 175.7531 23 C 5.6025 8.3229 119.2943 57.6270 34.8162 172.5209 24 I 5.1836 9.1432 126.8281 59.6488 40.4446 174.7213 25 S 5.2006 9.0933 120.4803 57.2751 67.1069 172.4867 26 H 5.2447 9.0512 116.5028 54.2629 33.1577 172.9388 27 T 4.6886 8.4334 117.4951 63.0962 70.1472 173.7773 28 V 4.7494 8.8716 125.9914 61.0693 34.5216 174.0555 29 Q 5.0865 8.8989 126.6687 54.2172 31.8725 175.1432 30 F 4.6701 9.1875 122.5107 55.6781 41.1467 176.9527 31 E 3.9274 9.0439 119.9993 59.5036 29.3202 178.0172 32 D 4.5689 8.1890 115.6108 53.2589 39.7571 177.2123 33 G 3.9705 8.3592 109.1277 45.5377 0.0000 174.0784 34 T 4.3779 8.1662 110.3841 61.4097 69.1064 173.8486 35 K 5.3229 8.4997 120.4347 54.8945 36.6231 175.3224 36 K 4.9944 9.2623 121.0683 55.2879 37.3122 175.0836 37 T 4.9853 8.6817 118.2327 61.8642 71.2692 173.3429 38 L 4.8390 8.9573 128.9993 53.5214 43.8885 175.3852 39 G 4.2230 8.1275 112.6163 43.5578 0.0000 170.6282 40 V 5.0761 8.8682 118.9683 61.0165 35.1034 174.0462 41 I 5.1259 9.1889 128.3037 59.7304 39.6788 175.3020 42 L 4.8465 8.9018 127.3516 52.6669 43.4549 174.8248 43 P 4.6043 0.0000 0.0000 63.8459 31.5729 176.0191 44 T 4.6030 8.7257 114.3607 60.3138 70.6816 174.1170 45 E 4.3771 8.8023 121.6141 57.4765 30.7679 176.4528 46 Q 4.6800 7.5001 114.6033 52.7980 32.6365 173.0638 47 P 4.5300 0.0000 0.0000 63.0572 32.2544 175.7441 48 L 4.0045 8.8145 123.7358 53.5464 43.4093 175.5605 49 T 4.6765 8.0794 120.4119 62.1230 69.9268 174.0826 50 F 4.7240 8.5474 125.0168 55.4863 42.3113 174.1347 51 E 5.2062 8.7822 121.3640 54.7560 31.8448 175.3090 52 T 4.3314 8.9807 114.2799 60.7871 71.1832 173.6783 53 H 4.7790 8.9286 120.6884 57.7909 29.3209 175.4346 54 V 4.2841 7.5353 113.3699 60.1892 33.0290 174.0176 55 P 4.5758 0.0000 0.0000 63.1825 32.7296 175.1681 56 E 4.9548 8.6350 119.9731 55.1022 34.4025 175.1253 57 R 4.7889 8.4485 123.5115 53.6769 33.8788 173.2140 *59 E 4.4210 8.4188 117.3128 56.4230 31.2458 175.5987 60 I 4.3944 8.6572 128.4009 61.1465 37.9829 176.5792 61 I 4.0471 8.7974 128.6057 63.3057 38.3672 176.5751 62 S 4.4443 8.0683 115.1926 58.4121 65.9675 173.6884 63 G 4.2553 9.7168 111.5189 44.0626 0.0000 170.9769 64 E 5.2140 8.3700 118.5962 54.9199 32.7256 175.2355 65 C 5.1613 9.6101 120.6728 56.8572 34.1979 172.6512 66 R 5.1603 8.8367 118.1018 54.4714 32.9072 175.2419 67 V 4.8697 9.0144 123.0024 61.0520 35.4621 174.0477 68 K 4.7944 9.0781 126.9852 54.8968 34.2464 175.0834 69 I 4.5975 8.3770 125.9630 59.4972 39.1533 175.1214 70 A 3.7454 9.0503 129.2902 53.3399 17.4844 177.7455 71 D 4.9177 8.6520 115.7296 56.3763 41.1513 176.4874 72 S 4.3265 8.1492 114.1198 58.6710 62.7960 173.9098 73 T 4.5021 8.3682 113.6899 61.3519 70.0610 173.8415 74 E 4.8413 7.4106 119.9960 54.3087 32.6274 176.2153 75 S 4.5364 8.6678 118.2655 58.7854 63.9184 173.4012 76 E 4.6035 9.1292 122.4982 54.4184 32.6500 174.6098 77 L 4.8603 7.9024 124.7985 53.7123 43.7068 175.5467 78 F 5.1403 9.0451 123.8478 55.8884 43.3749 174.0770 79 R 5.2674 9.5178 120.5181 53.5690 34.7128 174.7161 80 A 4.3123 8.1208 122.8402 54.5225 18.4772 178.1718 81 G 4.0444 9.2883 112.0699 45.1417 0.0000 173.6971 82 Q 4.6607 8.1319 118.6059 54.6384 30.7554 174.7616 83 S 4.9309 8.3373 115.0526 56.6133 66.7503 173.2135 84 F 4.9837 7.2882 115.3281 55.1201 40.6785 172.6355 85 Y 4.7914 8.5756 122.9568 56.0024 40.7151 174.7167 86 V 4.3629 7.7947 126.4905 59.9588 34.0309 173.2784 87 P 4.5147 0.0000 0.0000 62.5908 31.9018 176.3139 88 G 3.7116 8.6146 107.6546 46.5283 0.0000 172.4001 89 N 4.5107 8.6491 115.1130 52.9861 36.9949 174.0197 90 S 4.6962 8.0599 114.4904 58.0258 66.4069 171.9325 91 L 4.7935 8.4156 116.2881 55.5165 43.5704 173.8468 92 F 5.4741 9.0462 113.8510 55.4696 41.9248 173.3939 93 K 4.9987 9.2587 119.3946 54.7294 35.3643 175.0471 94 I 5.2059 8.9088 125.5759 59.0758 41.4241 173.8880 95 E 5.0736 9.1973 125.8136 55.1310 33.2268 174.3127 96 T 5.0115 8.7975 114.4767 61.3821 71.0918 173.7732 97 D 4.8089 8.8961 124.8116 54.4385 41.9473 175.5628 98 E 4.8564 7.6755 117.6583 53.8592 34.1877 175.3819 99 V 3.7875 8.5237 120.4018 63.8996 32.1962 174.7587 100 L 4.9719 9.2169 129.7222 53.5724 44.5762 174.5106 101 D 5.5095 9.0553 127.0463 53.2049 42.9611 175.3495 102 Y 5.3637 8.5482 119.7536 55.5171 42.2062 173.7572 103 V 4.6196 8.7406 120.4079 61.3200 34.2194 174.1615 104 C 4.7202 9.2238 128.7998 58.3632 33.2548 171.7210 105 H 5.1028 9.1956 124.6040 54.1303 30.2156 174.5963 106 L 4.4102 7.9427 122.9083 54.6789 42.2255 177.1612 107 E 4.3756 8.9051 122.7540 56.4909 29.7481 175.8564 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 S 8.33 4.33 0.00 3.97 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 4 A 8.29 4.09 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 5 Q 8.31 4.41 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.57 0.00 0.00 0.00 0.00 0.00 2.22 2.43 0.00 6 F 8.35 5.10 0.00 3.03 2.85 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 7 D 8.60 4.94 0.00 2.68 2.35 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 8 H 8.49 4.06 0.00 3.36 3.56 0.00 5.65 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.55 4.40 1.62 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 -0.09 0.00 0.00 0.80 0.00 0.00 10 T 8.36 4.52 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 1.22 0.00 0.00 11 V 8.08 4.74 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 0.81 0.00 0.00 0.86 0.00 0.00 12 I 8.31 4.01 1.88 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 0.92 0.91 0.00 0.00 13 K 8.84 4.05 0.00 1.75 1.87 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.42 7.81 14 K 7.89 4.05 0.00 1.69 1.72 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.45 7.81 15 S 8.44 4.32 0.00 3.79 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 16 N 8.96 4.79 0.00 2.62 2.66 0.00 0.00 6.78 7.27 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 17 V 7.75 4.76 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 0.77 0.00 0.00 0.84 0.00 0.00 18 Y 8.56 4.71 0.00 2.64 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 0.00 0.00 0.00 19 F 8.94 3.74 0.00 3.28 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 20 G 9.21 3.75 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 0.00 21 G 8.37 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 22 L 8.03 4.36 0.00 1.86 1.80 0.94 0.79 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 23 C 8.32 5.60 0.00 3.51 3.34 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 24 I 9.14 5.18 1.92 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 1.31 0.57 0.91 0.00 0.00 25 S 9.09 5.20 0.00 3.99 4.03 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 26 H 9.05 5.24 0.00 3.09 3.17 0.00 5.80 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 27 T 8.43 4.69 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 1.21 0.00 0.00 28 V 8.87 4.75 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 0.34 0.00 0.00 0.90 0.00 0.00 29 Q 8.90 5.09 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.47 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 30 F 9.19 4.67 0.00 3.00 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 31 E 9.04 3.93 0.00 2.01 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 0.00 2.33 2.52 0.00 32 D 8.19 4.57 0.00 2.80 2.79 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 33 G 8.36 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 34 T 8.17 4.38 4.21 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 0.00 0.00 0.00 1.24 0.00 0.00 35 K 8.50 5.32 0.00 1.75 1.71 0.00 1.52 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.53 7.81 36 K 9.26 4.99 0.00 1.61 1.68 0.00 1.37 0.00 0.00 1.52 0.00 0.00 2.13 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 1.33 7.81 37 T 8.68 4.99 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 1.39 0.00 0.00 38 L 8.96 4.84 0.00 1.88 1.57 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.13 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 40 V 8.87 5.08 2.13 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 1.12 0.00 0.00 0.97 0.00 0.00 41 I 9.19 5.13 2.05 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 1.51 1.03 1.06 0.00 0.00 42 L 8.90 4.85 0.00 1.56 1.64 1.02 0.97 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 43 P 0.00 4.60 0.00 1.95 2.17 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 44 T 8.73 4.60 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 1.21 0.00 0.00 45 E 8.80 4.38 0.00 1.97 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 2.24 2.31 0.00 46 Q 7.50 4.68 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.94 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 47 P 0.00 4.53 0.00 1.87 1.95 0.00 3.62 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.42 0.00 48 L 8.81 4.00 0.00 1.08 0.13 0.58 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.08 4.68 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 1.11 0.00 0.00 50 F 8.55 4.72 0.00 1.68 2.61 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 51 E 8.78 5.21 0.00 1.78 1.83 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 2.17 2.19 0.00 52 T 8.98 4.33 4.47 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 1.35 0.00 0.00 53 H 8.93 4.78 0.00 3.12 3.25 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.54 4.28 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 0.71 0.00 0.00 0.94 0.00 0.00 55 P 0.00 4.58 0.00 2.13 1.91 0.00 3.57 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 56 E 8.63 4.95 0.00 1.71 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 2.18 2.38 0.00 57 R 8.45 4.79 0.00 1.88 1.76 0.00 3.09 0.00 0.00 3.16 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.40 0.00 *59 E 8.42 4.42 0.00 2.16 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 2.30 2.21 0.00 60 I 8.66 4.39 2.14 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 1.35 1.02 1.08 0.00 0.00 61 I 8.80 4.05 1.96 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 1.12 0.72 0.87 0.00 0.00 62 S 8.07 4.44 0.00 3.86 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 63 G 9.72 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 0.00 0.00 0.00 0.00 64 E 8.37 5.21 0.00 1.97 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 2.21 2.33 0.00 65 C 9.61 5.16 0.00 3.19 3.07 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 66 R 8.84 5.16 0.00 1.77 1.82 0.00 3.06 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 67 V 9.01 4.87 1.79 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 0.72 0.00 0.00 0.68 0.00 0.00 68 K 9.08 4.79 0.00 1.73 1.71 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.39 7.81 69 I 8.38 4.60 1.90 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 1.07 0.55 1.03 0.00 0.00 70 A 9.05 3.75 1.15 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 71 D 8.65 4.92 0.00 2.67 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 72 S 8.15 4.33 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 73 T 8.37 4.50 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 1.22 0.00 0.00 74 E 7.41 4.84 0.00 1.90 1.84 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 2.21 2.23 0.00 75 S 8.67 4.54 0.00 3.73 3.76 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 0.00 0.00 0.00 0.00 76 E 9.13 4.60 0.00 1.86 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 2.16 2.19 0.00 77 L 7.90 4.86 0.00 1.48 1.32 0.89 0.59 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 78 F 9.05 5.14 0.00 3.10 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 79 R 9.52 5.27 0.00 1.73 1.84 0.00 3.16 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 80 A 8.12 4.31 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 81 G 9.29 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 82 Q 8.13 4.66 0.00 2.50 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.61 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 83 S 8.34 4.93 0.00 3.79 3.56 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 84 F 7.29 4.98 0.00 2.86 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 0.00 0.00 0.00 85 Y 8.58 4.79 0.00 2.93 2.91 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 86 V 7.79 4.36 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 1.08 0.00 0.00 0.73 0.00 0.00 87 P 0.00 4.51 0.00 2.14 2.16 0.00 3.81 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 2.08 0.00 88 G 8.61 3.71 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 0.00 0.00 0.00 89 N 8.65 4.51 0.00 2.85 2.90 0.00 0.00 6.63 8.09 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 90 S 8.06 4.70 0.00 3.98 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 91 L 8.42 4.79 0.00 1.97 1.73 0.95 0.57 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 92 F 9.05 5.47 0.00 3.06 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 0.00 0.00 0.00 0.00 0.00 0.00 93 K 9.26 5.00 0.00 1.69 1.68 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.34 7.81 94 I 8.91 5.21 2.26 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 1.41 1.35 1.23 0.00 0.00 95 E 9.20 5.07 0.00 2.02 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 2.27 2.23 0.00 96 T 8.80 5.01 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 1.30 0.00 0.00 97 D 8.90 4.81 0.00 2.71 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 98 E 7.68 4.86 0.00 1.79 1.83 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 2.25 2.40 0.00 99 V 8.52 3.79 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 0.81 0.00 0.00 0.96 0.00 0.00 100 L 9.22 4.97 0.00 1.85 1.75 1.05 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 101 D 9.06 5.51 0.00 2.74 2.52 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 0.00 102 Y 8.55 5.36 0.00 3.09 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 0.00 103 V 8.74 4.62 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 0.82 0.00 0.00 1.04 0.00 0.00 104 C 9.22 4.72 0.00 3.17 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 0.00 105 H 9.20 5.10 0.00 3.18 3.18 0.00 5.86 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.94 4.41 0.00 1.52 1.62 0.94 0.85 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 0.00 107 E 8.91 4.38 0.00 2.00 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 2.44 2.51 0.00 * Residues marked with a * may have inaccurate shift predictions.