NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3282 8.2644 123.5821 51.9524 19.9329 175.7841 3 K 4.3034 8.1729 119.7482 54.1205 34.9598 174.0169 4 L 4.3960 8.4871 127.1045 54.2549 42.9991 175.8746 5 T 4.3439 8.2302 114.1978 62.7498 70.2265 174.4205 6 S 4.5278 7.3523 112.9160 57.7446 65.0531 174.2553 7 A 4.6220 8.3150 122.5339 50.3726 21.9040 175.8518 8 V 4.1712 7.9657 119.3687 60.1833 33.6386 173.7189 9 P 4.3850 0.0000 0.0000 62.6966 32.8026 175.9603 10 V 4.7220 8.1356 122.3581 61.0615 32.9172 175.2830 11 L 4.4130 8.8061 129.1666 54.8747 42.9108 176.4365 12 T 5.2287 8.7826 110.4982 60.3981 72.4324 172.6454 13 A 4.5374 8.4230 121.8326 51.2670 22.4794 178.1270 14 R 4.3114 8.8302 119.9694 57.8168 30.6340 176.7070 15 D 4.7208 7.6955 116.4703 51.7261 42.6159 175.9202 16 V 3.5785 8.1649 126.5678 65.5574 31.7882 177.1336 17 A 3.9802 8.0641 120.1529 55.2869 18.3197 179.0194 18 E 3.8736 8.6205 117.4109 59.3720 29.6485 178.9067 19 A 4.1101 7.8815 120.4397 55.1754 18.4858 179.7334 20 V 3.5776 8.1800 117.1532 66.1657 31.6217 177.8242 21 E 3.9593 8.2913 119.0770 59.1337 29.4319 178.6162 22 F 3.9606 8.1791 120.3392 61.2490 39.5619 177.2791 23 W 3.6668 8.5205 118.9107 59.4511 28.7222 178.2852 24 T 4.7870 8.0154 111.1389 63.9590 68.5735 176.9617 25 D 4.3152 8.0351 122.2738 56.2812 41.3646 178.2629 26 R 3.8019 7.7189 118.4643 58.7491 29.9987 177.0933 27 L 3.9343 7.3006 113.6079 54.1783 42.2248 177.2317 28 G 4.0024 8.4145 107.0973 45.5872 0.0000 173.7239 29 F 4.6940 8.6611 118.6806 57.1978 40.6287 174.6346 30 S 5.2153 9.1805 116.2103 56.6286 66.2972 173.9537 31 R 4.3546 8.4853 120.8809 56.8112 29.9379 176.8142 32 V 4.1729 8.8008 125.4834 65.0410 32.2041 175.7889 33 F 5.0306 7.2082 112.9887 55.9747 41.2043 173.0030 34 V 4.5419 8.4129 119.3110 61.7662 34.3374 173.8286 35 E 4.8607 9.4096 129.1642 54.6909 33.1544 177.4013 *36 D 4.4799 8.8601 118.6029 55.8889 39.9476 175.7714 37 D 4.8994 7.9329 116.9345 53.3816 40.8384 175.3733 38 F 5.2545 7.7905 120.1614 57.4514 43.3535 172.5547 39 A 4.6173 8.2304 126.4507 50.3835 23.4372 174.8716 40 G 4.0725 7.5940 105.2701 44.4811 0.0000 172.3929 41 V 5.3276 8.9093 116.4295 59.3752 36.2297 175.0583 42 V 5.1897 9.1197 121.9927 60.3649 35.3962 174.2731 43 R 4.5492 8.6390 122.7820 54.7149 33.3346 174.1141 44 D 4.1236 8.8647 126.2453 56.2097 39.8556 174.5545 45 D 4.6600 8.9226 127.6937 55.1573 41.0945 175.5558 46 V 4.3676 7.9530 120.9239 61.2492 33.1417 174.0460 47 T 5.1248 8.4212 123.6529 61.9577 70.4924 173.8621 48 L 4.6955 8.8207 125.4977 52.9630 44.7583 176.0222 49 F 5.2725 8.6218 121.9416 56.5338 41.6912 175.0005 50 I 4.8028 7.9956 121.0236 59.7561 40.8730 174.3060 51 S 5.3028 9.1013 122.2582 56.0573 65.0654 173.1233 52 A 4.8112 9.0191 129.2527 52.3628 19.0836 177.0251 53 V 4.6094 8.8272 113.6423 60.1000 36.1908 176.3119 54 Q 4.4038 8.8645 118.9846 56.0079 30.2227 175.5671 55 D 4.8492 7.7422 118.7450 52.3354 42.3424 177.0263 56 Q 4.0502 8.7028 125.7274 58.8390 28.7967 178.2798 57 V 3.6666 7.8448 119.2748 64.8958 31.2846 178.1134 58 V 3.7095 7.8993 119.2130 65.3180 31.5019 176.1673 59 P 4.3990 0.0000 0.0000 65.3953 30.8930 177.4868 60 D 4.6407 8.0244 116.6027 55.6789 40.6935 176.4559 61 N 5.0243 8.0757 115.7217 52.9276 40.0246 173.6970 62 T 4.6892 7.9395 116.4128 62.3500 70.4250 173.9611 63 Q 5.5132 8.8010 122.7598 53.8458 33.4349 173.7516 64 A 4.8219 8.1212 120.1680 50.8457 22.8032 175.0963 65 W 4.7876 8.7487 118.7578 54.7086 32.4668 175.3947 66 V 4.4151 8.2561 123.1198 60.9070 34.2259 174.3302 67 W 5.2446 8.9867 127.4140 56.0930 30.5729 175.9409 68 V 4.5495 9.0838 123.0169 61.2932 34.6786 173.8670 69 R 4.4143 8.9241 128.6039 55.9159 31.0177 176.3935 70 G 3.7887 8.6324 116.2034 46.3192 0.0000 174.2745 71 L 4.0590 7.9388 121.7558 58.1802 42.4782 177.2934 72 D 4.3969 8.1238 118.3791 57.3634 40.8142 178.2140 73 E 3.8783 8.1223 119.3104 59.0957 29.7211 178.4532 74 L 3.5167 7.7747 120.2354 58.1422 42.0397 178.2437 75 Y 3.4678 8.3178 119.6022 60.5158 38.4404 177.9516 76 A 3.9284 8.0502 120.8544 54.9212 18.2556 179.0661 77 E 3.9428 7.9273 117.7557 59.4717 29.8498 179.2285 78 W 4.3822 7.9863 119.0937 59.3467 28.9065 178.5433 79 S 3.9525 7.7558 113.3642 60.4771 62.3792 175.8156 80 E 4.1277 7.6407 121.2058 58.0752 29.3882 177.4972 81 V 4.3098 7.5807 109.1725 60.6269 33.3217 175.5857 82 V 4.4243 7.2290 118.5260 60.2942 34.6181 174.8591 83 S 4.1915 8.0581 120.3049 58.9858 62.7167 174.5005 84 T 4.8966 8.3203 114.8004 60.8905 69.0070 175.1696 85 N 4.8453 7.8574 122.5781 51.5634 37.6451 175.0504 86 F 4.0064 8.7571 126.4764 61.7097 40.1158 177.4409 87 R 4.1617 8.2264 117.4303 58.7936 29.4827 178.7980 88 D 4.6213 7.9168 116.1719 55.1206 41.8735 177.0805 89 A 4.1188 7.8007 122.3133 52.1471 18.8469 177.7586 90 S 4.1776 8.5926 118.3930 60.8422 63.4524 175.1255 91 G 3.8446 7.5445 107.7875 43.6609 0.0000 170.9225 92 P 4.3665 0.0000 0.0000 63.3869 32.5372 175.5645 93 A 5.1238 8.4285 122.5712 51.4231 22.8953 174.9166 94 M 5.6499 9.2161 116.1361 53.9410 35.0393 175.2826 95 T 4.3192 8.8313 111.7835 61.0705 70.5134 173.8046 96 E 4.2506 8.5387 121.6978 55.7030 30.7963 176.8386 97 I 4.3112 7.6099 122.3770 61.4569 37.7578 176.2569 98 V 4.3689 9.0416 126.7488 59.8755 34.6458 175.0967 99 E 4.5672 8.7000 123.2279 55.5543 29.0823 176.2906 100 Q 3.9053 8.4230 124.2693 53.7779 29.8216 175.7802 101 P 4.1590 0.0000 0.0000 65.3132 31.3434 177.7906 102 W 4.5292 7.7080 112.4181 56.2634 28.9927 175.9750 103 G 4.2054 6.2061 108.9582 44.7466 0.0000 170.8590 104 R 4.9151 7.8443 120.5037 55.0966 31.4550 174.8356 105 E 5.3198 9.1161 123.3585 55.3262 33.5995 173.8157 106 F 5.5347 8.7996 115.1190 55.1149 41.6701 173.6073 107 A 5.1544 8.9472 121.2395 50.0805 22.0225 175.1124 108 L 5.3533 9.3173 123.2061 53.3317 45.6840 174.9929 109 R 5.2058 9.3736 127.4010 54.8013 31.9567 175.8932 110 D 4.2435 8.6050 126.6001 51.2721 40.9269 175.5447 111 P 3.9966 0.0000 0.0000 64.8195 31.2666 177.8684 112 A 4.0221 7.8060 119.7363 53.0360 18.6654 178.1105 113 G 4.0178 7.8478 103.3393 44.7566 0.0000 173.9170 114 N 4.7953 8.5092 118.0065 53.4781 40.2156 173.8333 115 C 5.0143 8.9075 122.9827 57.9491 33.8489 172.4762 116 V 4.5781 9.0515 127.7380 61.4112 33.5411 173.8885 117 H 4.8522 8.2237 125.5666 54.1396 30.8582 173.9646 118 F 4.9354 8.8367 122.2164 55.4629 41.3877 174.6973 119 V 4.9574 8.6191 123.9734 59.3179 34.0237 175.1185 120 A 4.7537 9.2023 127.4592 52.0944 19.0491 177.2077 121 E 4.5338 9.1633 119.9136 56.5037 29.6079 176.0198 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 2 A 8.26 4.33 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 3 K 8.17 4.30 0.00 1.74 1.63 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.52 7.81 4 L 8.49 4.40 0.00 1.65 1.61 0.92 0.89 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 5 T 8.23 4.34 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 1.25 0.00 0.00 6 S 7.35 4.53 0.00 3.95 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 7 A 8.31 4.62 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 8 V 7.97 4.17 1.65 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 -0.31 0.00 0.00 0.66 0.00 0.00 9 P 0.00 4.39 0.00 2.00 1.91 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 10 V 8.14 4.72 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 1.00 0.00 0.00 1.19 0.00 0.00 11 L 8.81 4.41 0.00 1.55 1.50 0.43 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.78 5.23 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 1.25 0.00 0.00 13 A 8.42 4.54 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 14 R 8.83 4.31 0.00 1.80 2.00 0.00 3.20 0.00 0.00 4.01 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.57 0.00 15 D 7.70 4.72 0.00 2.64 2.50 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 16 V 8.16 3.58 2.24 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 1.04 0.00 0.00 0.94 0.00 0.00 17 A 8.06 3.98 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 18 E 8.62 3.87 0.00 2.26 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 2.28 2.31 0.00 19 A 7.88 4.11 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 20 V 8.18 3.58 2.23 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 0.99 0.00 0.00 0.93 0.00 0.00 21 E 8.29 3.96 0.00 2.18 2.12 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 2.32 2.48 0.00 22 F 8.18 3.96 0.00 3.07 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 23 W 8.52 3.67 0.00 3.31 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 24 T 8.02 4.79 4.34 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 1.35 0.00 0.00 25 D 8.04 4.32 0.00 2.98 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.72 3.80 0.00 1.29 0.89 0.00 3.30 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.29 0.00 27 L 7.30 3.93 0.00 1.43 1.09 -0.96 -0.56 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 28 G 8.41 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 0.00 0.00 0.00 29 F 8.66 4.69 0.00 3.27 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 30 S 9.18 5.22 0.00 3.76 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 31 R 8.49 4.35 0.00 1.73 1.88 0.00 3.23 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 32 V 8.80 4.17 2.23 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 1.08 0.00 0.00 1.02 0.00 0.00 33 F 7.21 5.03 0.00 3.19 3.11 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 0.00 0.00 0.00 34 V 8.41 4.54 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 0.88 0.00 0.00 35 E 9.41 4.86 0.00 2.30 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 2.29 2.39 0.00 *36 D 8.86 4.48 0.00 2.69 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 37 D 7.93 4.90 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 38 F 7.79 5.25 0.00 3.24 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 39 A 8.23 4.62 0.95 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 40 G 7.59 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 41 V 8.91 5.33 2.23 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 0.72 0.00 0.00 0.67 0.00 0.00 42 V 9.12 5.19 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 0.93 0.00 0.00 1.03 0.00 0.00 43 R 8.64 4.55 0.00 0.67 0.66 0.00 3.26 0.00 0.00 2.97 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.37 0.00 44 D 8.86 4.12 0.00 2.83 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 0.00 0.00 0.00 0.00 45 D 8.92 4.66 0.00 2.70 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 7.95 4.37 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 1.24 0.00 0.00 1.04 0.00 0.00 47 T 8.42 5.12 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 1.22 0.00 0.00 48 L 8.82 4.70 0.00 1.07 1.09 0.00 1.06 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 49 F 8.62 5.27 0.00 2.86 2.33 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 50 I 8.00 4.80 1.65 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.44 0.84 0.00 0.00 51 S 9.10 5.30 0.00 4.14 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 52 A 9.02 4.81 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 53 V 8.83 4.61 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 0.86 0.00 0.00 1.03 0.00 0.00 54 Q 8.86 4.40 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 55 D 7.74 4.85 0.00 2.69 2.58 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 56 Q 8.70 4.05 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 57 V 7.84 3.67 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 0.83 0.00 0.00 0.94 0.00 0.00 58 V 7.90 3.71 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 1.15 0.00 0.00 0.98 0.00 0.00 59 P 0.00 4.40 0.00 2.49 2.51 0.00 4.11 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 2.22 1.92 0.00 60 D 8.02 4.64 0.00 2.87 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 61 N 8.08 5.02 0.00 2.78 2.80 0.00 0.00 6.88 8.18 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 62 T 7.94 4.69 4.51 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 1.28 0.00 0.00 63 Q 8.80 5.51 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 64 A 8.12 4.82 1.12 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 65 W 8.75 4.79 0.00 2.99 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 66 V 8.26 4.42 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 1.25 0.00 0.00 0.77 0.00 0.00 67 W 8.99 5.24 0.00 3.25 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 68 V 9.08 4.55 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 1.08 0.00 0.00 1.15 0.00 0.00 69 R 8.92 4.41 0.00 2.09 1.86 0.00 3.31 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 70 G 8.63 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 71 L 7.94 4.06 0.00 1.87 1.77 1.05 1.39 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 72 D 8.12 4.40 0.00 2.74 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 73 E 8.12 3.88 0.00 2.01 2.04 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 2.31 2.33 0.00 74 L 7.77 3.52 0.00 1.61 1.73 -0.29 0.32 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 75 Y 8.32 3.47 0.00 2.91 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 76 A 8.05 3.93 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 77 E 7.93 3.94 0.00 1.94 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 2.43 2.35 0.00 78 W 7.99 4.38 0.00 3.12 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 79 S 7.76 3.95 0.00 3.61 2.76 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 80 E 7.64 4.13 0.00 2.09 2.01 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 2.46 2.45 0.00 81 V 7.58 4.31 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 0.63 0.00 0.00 0.91 0.00 0.00 82 V 7.23 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 0.83 0.00 0.00 0.88 0.00 0.00 83 S 8.06 4.19 0.00 3.81 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.32 4.90 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 1.16 0.00 0.00 85 N 7.86 4.85 0.00 2.78 2.80 0.00 0.00 6.65 7.57 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 86 F 8.76 4.01 0.00 3.02 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 87 R 8.23 4.16 0.00 1.87 1.83 0.00 3.30 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 88 D 7.92 4.62 0.00 2.65 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 4.12 1.23 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 0.00 0.00 0.00 90 S 8.59 4.18 0.00 3.81 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 91 G 7.54 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 92 P 0.00 4.37 0.00 1.98 1.45 0.00 3.49 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.50 0.00 93 A 8.43 5.12 1.14 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 94 M 9.22 5.65 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.62 0.00 95 T 8.83 4.32 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 0.51 0.00 0.00 96 E 8.54 4.25 0.00 1.83 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 2.32 2.39 0.00 97 I 7.61 4.31 1.67 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.14 0.91 0.00 0.00 98 V 9.04 4.37 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 0.77 0.00 0.00 0.88 0.00 0.00 99 E 8.70 4.57 0.00 1.80 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 2.23 2.28 0.00 100 Q 8.42 3.91 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.49 6.75 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 101 P 0.00 4.16 0.00 2.15 2.15 0.00 3.02 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 102 W 7.71 4.53 0.00 3.43 3.41 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 0.00 103 G 6.21 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 0.00 0.00 0.00 0.00 104 R 7.84 4.92 0.00 1.90 1.85 0.00 3.19 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 105 E 9.12 5.32 0.00 2.19 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 2.31 2.37 0.00 106 F 8.80 5.53 0.00 3.36 3.19 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 0.00 107 A 8.95 5.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 9.32 5.35 0.00 2.15 1.94 0.68 0.69 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 0.00 109 R 9.37 5.21 0.00 1.96 1.63 0.00 2.97 0.00 0.00 2.92 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.50 0.00 110 D 8.61 4.24 0.00 2.38 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 0.00 111 P 0.00 4.00 0.00 2.02 1.87 0.00 2.96 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.40 0.00 112 A 7.81 4.02 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 0.00 113 G 7.85 4.02 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 0.00 0.00 0.00 114 N 8.51 4.80 0.00 3.01 2.80 0.00 0.00 6.37 7.64 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 0.00 115 C 8.91 5.01 0.00 3.06 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 0.00 116 V 9.05 4.58 2.47 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 0.62 0.00 0.00 1.13 0.00 0.00 117 H 8.22 4.85 0.00 1.40 2.45 0.00 5.62 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.84 4.94 0.00 1.51 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 0.00 119 V 8.62 4.96 2.04 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 -0.29 0.00 0.00 0.83 0.00 0.00 120 A 9.20 4.75 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 0.00 121 E 9.16 4.53 0.00 1.93 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 0.00 2.47 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.