NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.3091 8.1429 120.6288 54.4668 43.9370 179.2672 5 D 4.2728 8.2775 117.2859 55.0333 39.8037 180.8049 6 N 4.8551 8.2952 114.7303 52.6118 40.2594 174.3404 7 A 4.0817 7.4067 122.0464 51.4843 19.0756 176.1399 8 P 4.5703 0.0000 0.0000 62.6494 32.8448 175.8080 9 L 4.7438 8.3951 121.5747 54.4132 42.7056 176.4118 10 L 4.2442 8.6713 126.0467 54.9961 42.5632 175.9894 11 E 4.7169 9.4953 127.0971 54.4195 32.5352 174.1824 12 L 4.7689 8.6615 125.6488 53.0796 43.7676 175.4101 13 D 4.8125 8.7925 123.6132 52.6548 41.8216 176.0602 14 V 4.3690 8.0025 123.8302 61.0222 33.6296 174.9078 15 Q 4.2585 8.9032 130.3075 58.8421 29.3269 175.8525 16 E 4.7824 7.7231 114.3651 55.2593 32.9403 174.0197 17 W 4.9913 8.7385 121.5406 55.2614 30.1094 176.7000 18 V 3.8434 8.6705 125.0706 65.2924 31.1013 176.5125 19 N 5.0990 8.1900 112.8278 52.3079 37.8528 172.8511 20 H 4.7634 8.0757 118.5386 55.5930 32.8099 173.5191 21 E 4.1071 8.2416 119.7967 55.4184 30.1756 178.3469 22 G 2.3892 8.0813 110.3030 44.7648 0.0000 173.7556 23 L 4.2052 6.3430 122.4969 54.0148 42.5074 176.6431 24 S 4.8868 7.9714 114.7409 56.2219 67.3287 174.7097 25 N 4.5689 8.7518 121.7203 57.0210 38.1066 178.1743 26 E 4.0248 8.1484 119.4173 61.2248 29.6497 181.4775 27 D 4.5817 7.6293 118.5232 57.3559 41.2651 178.7380 28 L 4.1216 7.6560 119.4672 56.7020 41.7546 177.9749 29 R 4.2786 7.1538 117.3612 57.4117 30.4436 177.2148 30 G 4.0011 9.0747 110.1992 45.0826 0.0000 173.3089 31 K 4.8174 7.6702 118.4455 54.2025 36.1498 175.7238 32 V 4.1069 8.5743 123.5599 62.7918 33.0802 174.7974 33 V 4.7527 8.7657 127.5123 61.0794 34.1011 174.1439 34 V 4.6903 8.5893 127.8755 61.1500 33.8452 174.1253 35 V 4.7041 8.7659 128.8148 61.2058 33.7647 173.7442 36 E 4.7232 9.3758 130.2318 54.8195 31.3450 174.5529 37 V 5.0246 9.0136 128.9013 61.4251 33.4383 174.5460 38 F 5.2907 9.0575 122.2363 55.4018 41.8919 173.3376 39 Q 4.3982 8.4527 118.0536 55.2162 32.5266 177.5256 *41 L 3.9653 8.4529 127.5025 55.3976 43.5021 175.4043 42 C 4.5864 7.7811 120.2378 57.2937 32.6431 172.7723 43 P 4.4283 0.0000 0.0000 65.6423 31.0435 178.9025 44 G 3.6189 8.0872 104.1232 47.9005 0.0000 175.4366 45 C 4.1923 8.0248 118.5786 62.6199 28.0889 176.2377 46 V 3.6203 7.6693 118.3469 66.2449 31.2680 177.6059 47 N 4.6060 8.3720 115.1645 55.7864 38.6519 174.4184 48 H 4.6690 8.0792 116.8416 57.1986 32.3971 175.3876 49 G 3.5751 8.3824 105.5335 47.8075 0.0000 175.6832 50 V 3.5736 8.1223 121.8150 65.0563 31.5878 176.3088 51 P 4.2789 0.0000 0.0000 65.8919 31.1439 178.1091 52 Q 3.9015 8.0548 119.0313 58.9383 28.9837 178.1281 53 A 3.9196 7.9795 121.7790 55.1491 18.3700 179.6239 54 Q 4.2149 8.4417 116.7393 59.0461 28.5802 178.8798 55 K 3.9641 7.9783 119.5713 59.5610 32.2955 178.5744 56 I 3.8373 7.4620 118.8395 64.6631 37.1095 177.5400 57 H 4.3865 8.1024 117.8137 59.2619 29.7400 177.3934 58 R 4.0017 7.7237 114.6923 56.3353 29.7524 176.2607 *60 I 3.8832 7.1842 119.2098 60.7962 38.4177 175.2162 61 D 4.4909 8.3703 124.1863 54.0974 41.7034 176.8577 62 E 4.7817 8.8825 123.3946 58.3097 29.6812 178.5582 63 S 4.2869 8.3253 113.0173 60.3047 63.6264 174.6630 64 Q 4.5167 8.4398 119.4759 56.8260 31.1721 175.8374 65 V 4.8252 7.5850 117.7594 60.9779 35.2213 173.4807 66 Q 4.8193 8.9143 129.0064 54.4649 30.9104 174.0921 67 V 4.5236 8.3554 126.5419 61.6765 33.1951 174.8478 68 I 4.8924 8.6519 128.3446 59.4284 40.6339 174.9214 69 G 4.4783 9.5159 114.8396 45.8913 0.0000 172.3477 70 L 5.0794 9.6492 126.2268 53.2947 45.1684 175.0911 71 H 4.1323 9.0632 128.6554 55.5432 30.5025 174.3833 72 S 4.8345 8.0329 123.4429 56.6230 63.7314 174.0748 73 V 3.7213 8.0063 125.3012 61.9531 31.5779 175.7001 74 F 5.4083 8.4960 121.0122 55.6824 38.8254 174.9260 75 E 4.4635 7.0272 117.7105 55.9439 32.3998 173.9244 76 H 4.0437 8.5039 114.0692 57.2513 26.3825 176.6352 77 H 4.0830 8.2912 116.9821 58.8996 29.2161 177.3533 78 D 4.4932 8.1128 117.7863 56.3628 39.3406 178.3138 79 V 3.7474 7.1597 119.8990 62.4761 30.9200 175.9006 *81 T 4.1636 7.7225 107.9692 60.6069 71.2959 171.5324 82 P 4.2475 0.0000 0.0000 65.5431 30.7632 178.6330 83 E 3.9487 8.1887 117.6300 59.2156 29.6604 178.5661 84 A 4.0479 7.9728 120.6754 55.0629 18.4402 179.3010 85 L 3.9393 8.1106 118.8932 58.2068 42.2162 179.3911 86 K 4.0333 8.0291 118.0736 59.5206 31.9648 179.4839 87 V 3.6688 7.6132 117.7738 65.8355 31.4371 177.8443 88 F 4.2452 8.3864 120.5107 61.3975 39.2705 177.1886 89 I 3.6406 8.1068 119.4690 64.3197 36.8320 177.9702 90 D 4.2712 8.0292 118.5366 57.3226 40.8889 177.8508 91 E 3.8705 8.1535 118.6223 58.9841 29.7758 177.9201 92 F 4.1529 8.1186 114.5164 56.0667 39.6288 175.6398 93 G 3.9001 7.5809 106.4411 46.3579 0.0000 174.4117 94 I 3.8600 7.6571 119.9809 60.6793 37.5121 176.7901 95 K 4.2401 8.2642 124.7034 56.9928 33.0558 177.1375 96 F 4.4403 6.9587 112.9633 55.2471 38.9989 173.2612 97 P 4.7158 0.0000 0.0000 62.8580 32.4974 175.3838 98 V 5.1513 9.5105 123.9553 61.1654 34.2768 174.1093 99 A 4.7025 9.0026 129.2355 49.9439 22.3653 175.0000 100 V 4.2530 7.9551 120.3315 60.1752 33.2436 175.5727 101 D 4.8691 8.5557 128.2208 53.6190 42.5420 177.5464 *103 P 4.2022 0.0000 0.0000 62.2890 32.4014 175.3511 104 R 4.5409 8.1121 120.4156 54.5267 32.5242 176.0983 105 E 4.1327 8.6867 118.9887 57.4376 29.9827 174.9958 106 G 4.0367 8.9974 111.8535 44.4926 0.0000 173.0151 107 Q 4.6870 7.4450 117.9366 53.7559 31.7177 176.1464 108 R 4.0153 8.5715 121.0134 59.0392 30.5004 177.0018 109 I 4.3724 7.5562 118.7553 59.7786 37.7694 174.0885 110 P 4.5479 0.0000 0.0000 61.8873 32.6362 176.4541 111 S 4.1719 8.6174 113.1425 62.0841 62.6076 178.2820 112 T 4.1035 8.6596 116.0394 63.6925 67.7854 176.6012 *114 K 4.1130 8.2620 123.7238 56.3767 33.8435 177.5616 115 K 3.7142 7.9782 118.2523 59.1929 32.0135 176.8420 116 Y 4.7095 7.6433 112.9716 57.0182 37.9812 175.5099 117 R 3.8177 7.6711 117.4478 56.9716 28.2627 176.7888 118 L 4.1602 7.8847 116.3004 54.6026 42.4598 177.7605 119 E 3.7550 8.8336 122.6966 57.4742 29.7846 177.3550 120 G 3.8768 6.4839 103.1002 45.9520 0.0000 170.8336 121 T 5.1120 8.6246 109.4582 59.2500 71.4077 172.4124 122 P 4.9961 0.0000 0.0000 62.9841 33.3553 174.9793 123 S 5.3220 8.9911 116.0362 57.0473 67.8500 172.8905 124 I 5.0364 8.5082 122.1708 59.6408 40.3422 174.6594 125 I 4.9538 8.6777 126.7419 59.4488 40.2530 174.3367 126 L 5.2572 8.7799 126.5841 52.8746 44.2525 175.4466 127 A 5.2803 8.7308 124.7297 50.0346 22.8546 175.9275 128 D 4.8870 8.5238 120.1391 52.2431 41.3263 177.5416 129 R 4.3439 8.3215 116.0207 58.3452 30.0370 178.4812 130 K 4.2100 8.7464 116.0237 56.4128 32.5364 177.6642 131 G 3.9461 8.5463 108.6677 45.1506 0.0000 173.3176 132 R 4.5282 7.8150 119.5334 55.2545 30.8463 175.9040 133 I 4.2479 8.3167 124.6486 61.6380 37.3663 175.9058 134 R 4.6014 8.8332 124.4594 56.7445 32.5208 176.5172 135 Q 4.6526 7.7650 116.0411 54.2337 33.5841 174.0624 136 V 4.8779 8.2870 121.2502 61.2921 34.7192 174.3515 137 Q 4.6353 9.0774 127.7886 54.4744 32.7394 173.0471 138 F 5.1116 9.0876 127.8407 58.0990 41.2186 176.8552 139 G 3.2692 7.8823 113.3892 44.1672 0.0000 172.0468 140 Q 3.8963 8.2835 120.3847 55.9816 29.4058 176.4073 141 V 4.3635 8.1167 124.8000 60.5427 33.9418 175.1397 142 D 4.5432 8.5295 125.9480 54.3214 43.0939 176.7557 143 D 4.4048 8.7652 125.7443 57.4534 40.9201 178.9138 144 F 4.1762 8.4752 121.0212 61.2988 39.4237 177.3612 145 V 3.3526 7.8203 117.4000 65.7992 31.3878 177.5221 146 L 3.9915 8.0677 120.2341 58.0659 41.8282 179.2124 147 G 3.5249 8.0132 105.6685 47.6892 0.0000 175.6379 148 L 3.8101 7.4669 121.4281 57.3808 41.5694 179.6488 149 L 3.9223 7.7116 118.7955 57.8158 41.5320 179.6507 150 L 4.0559 7.9455 119.0275 57.7058 41.4207 179.8077 151 G 3.5800 8.3174 106.0315 47.6819 0.0000 175.6552 152 S 4.0776 8.0355 115.4844 61.2734 62.2384 176.3224 153 L 4.0980 7.6373 120.2404 57.8158 41.3970 179.2825 154 L 4.1315 8.2482 118.7946 56.9602 41.6301 178.6669 155 S 4.5523 7.5322 111.8248 57.4363 64.0436 174.4802 156 E 3.9831 7.2233 121.9286 56.6173 29.8199 177.0906 157 T 4.0282 8.5891 112.0415 62.2078 68.5481 173.7952 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 4 L 8.14 4.31 0.00 1.72 1.78 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 5 D 8.28 4.27 0.00 2.78 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 6 N 8.30 4.86 0.00 2.69 2.86 0.00 0.00 6.86 7.35 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 7 A 7.41 4.08 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 8 P 0.00 4.57 0.00 2.27 2.28 0.00 3.71 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 9 L 8.40 4.74 0.00 1.60 1.67 0.94 1.00 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 10 L 8.67 4.24 0.00 1.58 1.71 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 11 E 9.50 4.72 0.00 1.99 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 12 L 8.66 4.77 0.00 1.74 1.59 1.03 1.15 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 13 D 8.79 4.81 0.00 2.60 2.57 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 14 V 8.00 4.37 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 0.27 0.00 0.00 0.63 0.00 0.00 15 Q 8.90 4.26 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.38 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 16 E 7.72 4.78 0.00 2.08 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 2.24 2.30 0.00 17 W 8.74 4.99 0.00 3.34 3.37 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 18 V 8.67 3.84 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 0.85 0.00 0.00 0.97 0.00 0.00 19 N 8.19 5.10 0.00 2.86 2.89 0.00 0.00 5.73 7.90 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 20 H 8.08 4.76 0.00 3.15 3.18 0.00 5.74 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.24 4.11 0.00 2.03 1.73 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 2.23 1.88 0.00 22 G 8.08 2.39 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 0.00 23 L 6.34 4.21 0.00 1.45 1.48 0.82 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.97 4.89 0.00 3.96 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 25 N 8.75 4.57 0.00 2.79 2.94 0.00 0.00 6.92 7.66 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 26 E 8.15 4.02 0.00 1.97 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 2.31 1.97 0.00 27 D 7.63 4.58 0.00 2.93 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.66 4.12 0.00 1.81 1.73 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.15 4.28 0.00 1.75 1.87 0.00 3.36 0.00 0.00 3.38 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.73 0.00 30 G 9.07 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 31 K 7.67 4.82 0.00 1.97 1.66 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.51 7.81 32 V 8.57 4.11 2.06 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 0.92 0.00 0.00 0.91 0.00 0.00 33 V 8.77 4.75 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 0.89 0.00 0.00 0.94 0.00 0.00 34 V 8.59 4.69 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 0.89 0.00 0.00 0.88 0.00 0.00 35 V 8.77 4.70 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 1.00 0.00 0.00 0.95 0.00 0.00 36 E 9.38 4.72 0.00 1.99 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 37 V 9.01 5.02 2.26 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 1.04 0.00 0.00 1.00 0.00 0.00 38 F 9.06 5.29 0.00 3.16 3.04 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 39 Q 8.45 4.40 0.00 1.88 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 *41 L 8.45 3.97 0.00 1.57 1.67 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 42 C 7.78 4.59 0.00 2.97 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 43 P 0.00 4.43 0.00 2.22 2.11 0.00 3.68 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 44 G 8.09 3.62 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 0.00 0.00 0.00 45 C 8.02 4.19 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 46 V 7.67 3.62 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 1.00 0.00 0.00 0.98 0.00 0.00 47 N 8.37 4.61 0.00 2.88 2.92 0.00 0.00 6.79 8.69 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 48 H 8.08 4.67 0.00 3.18 3.40 0.00 5.87 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.38 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 50 V 8.12 3.57 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 0.98 0.00 0.00 0.69 0.00 0.00 51 P 0.00 4.28 0.00 2.31 2.33 0.00 3.89 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 2.15 0.00 52 Q 8.05 3.90 0.00 2.13 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 53 A 7.98 3.92 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 54 Q 8.44 4.21 0.00 2.35 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.52 2.76 0.00 55 K 7.98 3.96 0.00 1.85 2.03 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.49 7.81 56 I 7.46 3.84 1.98 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 1.38 0.63 0.87 0.00 0.00 57 H 8.10 4.39 0.00 3.26 3.67 0.00 5.95 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 58 R 7.72 4.00 0.00 2.00 1.95 0.00 3.26 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 *60 I 7.18 3.88 1.86 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 1.29 0.47 0.90 0.00 0.00 61 D 8.37 4.49 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 62 E 8.88 4.78 0.00 2.01 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 2.36 2.29 0.00 63 S 8.33 4.29 0.00 3.99 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 64 Q 8.44 4.52 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 65 V 7.58 4.83 2.06 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 1.00 0.00 0.00 0.91 0.00 0.00 66 Q 8.91 4.82 0.00 2.20 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.62 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 67 V 8.36 4.52 1.75 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 -0.12 0.00 0.00 0.80 0.00 0.00 68 I 8.65 4.89 1.96 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.56 1.21 0.00 0.00 69 G 9.52 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.65 5.08 0.00 1.73 1.58 0.82 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 71 H 9.06 4.13 0.00 2.87 2.96 0.00 5.61 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.03 4.83 0.00 3.82 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.01 3.72 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 0.55 0.00 0.00 0.60 0.00 0.00 74 F 8.50 5.41 0.00 3.13 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 75 E 7.03 4.46 0.00 1.75 1.77 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 1.50 2.08 0.00 76 H 8.50 4.04 0.00 3.23 3.30 0.00 5.63 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 77 H 8.29 4.08 0.00 3.11 3.34 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 D 8.11 4.49 0.00 2.78 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 79 V 7.16 3.75 2.17 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 0.77 0.00 0.00 0.92 0.00 0.00 *81 T 7.72 4.16 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 1.23 0.00 0.00 82 P 0.00 4.25 0.00 2.18 2.14 0.00 3.60 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 2.10 2.13 0.00 83 E 8.19 3.95 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 2.39 2.46 0.00 84 A 7.97 4.05 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 85 L 8.11 3.94 0.00 1.63 1.84 0.80 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.03 4.03 0.00 2.10 1.88 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.49 7.81 87 V 7.61 3.67 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 1.06 0.00 0.00 1.06 0.00 0.00 88 F 8.39 4.25 0.00 3.17 3.23 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 89 I 8.11 3.64 2.08 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.02 0.91 0.00 0.00 90 D 8.03 4.27 0.00 2.84 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 91 E 8.15 3.87 0.00 2.26 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 2.34 2.23 0.00 92 F 8.12 4.15 0.00 2.56 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 93 G 7.58 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 94 I 7.66 3.86 1.63 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.39 -0.10 0.00 0.00 95 K 8.26 4.24 0.00 1.80 1.91 0.00 1.74 0.00 0.00 1.85 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.38 7.81 96 F 6.96 4.44 0.00 3.17 2.68 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 97 P 0.00 4.72 0.00 2.21 1.82 0.00 3.91 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 1.97 1.66 0.00 98 V 9.51 5.15 2.34 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 1.17 0.00 0.00 1.10 0.00 0.00 99 A 9.00 4.70 -0.11 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 0.00 0.00 100 V 7.96 4.25 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 0.84 0.00 0.00 0.89 0.00 0.00 101 D 8.56 4.87 0.00 2.76 1.57 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 *103 P 0.00 4.20 0.00 2.21 2.05 0.00 3.73 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 1.86 2.08 0.00 104 R 8.11 4.54 0.00 1.83 1.81 0.00 3.16 0.00 0.00 3.62 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 105 E 8.69 4.13 0.00 1.98 1.76 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 2.23 1.89 0.00 106 G 9.00 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 0.00 107 Q 7.45 4.69 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 108 R 8.57 4.02 0.00 1.92 2.32 0.00 3.19 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 109 I 7.56 4.37 1.84 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 1.44 0.67 0.86 0.00 0.00 110 P 0.00 4.55 0.00 2.49 2.04 0.00 3.84 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 111 S 8.62 4.17 0.00 3.83 3.86 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 0.00 112 T 8.66 4.10 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 1.41 0.00 0.00 *114 K 8.26 4.11 0.00 1.99 1.82 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.33 7.81 115 K 7.98 3.71 0.00 1.65 1.51 0.00 1.55 0.00 0.00 0.97 0.00 0.00 2.43 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.73 1.12 7.81 116 Y 7.64 4.71 0.00 3.06 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 0.00 117 R 7.67 3.82 0.00 1.99 1.97 0.00 3.17 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 118 L 7.88 4.16 0.00 1.61 1.61 0.99 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.83 3.76 0.00 1.16 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 2.09 2.02 0.00 120 G 6.48 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 0.00 0.00 0.00 121 T 8.62 5.11 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 122 P 0.00 5.00 0.00 2.16 2.27 0.00 3.51 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 1.95 1.99 0.00 123 S 8.99 5.32 0.00 3.88 3.83 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 0.00 0.00 0.00 124 I 8.51 5.04 1.88 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 1.33 1.02 0.89 0.00 0.00 125 I 8.68 4.95 1.79 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 1.12 0.84 0.71 0.00 0.00 126 L 8.78 5.26 0.00 1.54 1.51 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.73 5.28 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 0.00 128 D 8.52 4.89 0.00 2.88 2.83 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 0.00 0.00 0.00 129 R 8.32 4.34 0.00 1.89 2.02 0.00 3.38 0.00 0.00 3.48 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 130 K 8.75 4.21 0.00 1.88 1.85 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.37 7.81 131 G 8.55 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 0.00 132 R 7.82 4.53 0.00 2.08 1.86 0.00 3.13 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 133 I 8.32 4.25 1.80 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.53 0.77 0.00 0.00 134 R 8.83 4.60 0.00 1.61 1.92 0.00 3.28 0.00 0.00 3.42 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 135 Q 7.77 4.65 0.00 1.88 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 136 V 8.29 4.88 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 0.79 0.00 0.00 0.86 0.00 0.00 137 Q 9.08 4.64 0.00 2.13 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.56 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 138 F 9.09 5.11 0.00 3.01 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 0.00 139 G 7.88 3.27 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 0.00 140 Q 8.28 3.90 0.00 1.89 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.63 0.00 0.00 0.00 0.00 0.00 2.14 1.79 0.00 141 V 8.12 4.36 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 0.86 0.00 0.00 0.98 0.00 0.00 142 D 8.53 4.54 0.00 2.87 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 0.00 143 D 8.77 4.40 0.00 2.79 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 0.00 144 F 8.48 4.18 0.00 3.15 3.23 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 0.00 145 V 7.82 3.35 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 0.95 0.00 0.00 1.01 0.00 0.00 146 L 8.07 3.99 0.00 1.91 1.79 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 147 G 8.01 3.52 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 0.00 148 L 7.47 3.81 0.00 1.56 1.54 0.51 0.57 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 0.00 149 L 7.71 3.92 0.00 1.80 1.67 0.88 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.95 4.06 0.00 1.66 1.68 0.88 0.81 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 0.00 151 G 8.32 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 0.00 152 S 8.04 4.08 0.00 4.01 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 0.00 153 L 7.64 4.10 0.00 1.79 1.70 0.89 1.07 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 0.00 154 L 8.25 4.13 0.00 1.76 1.72 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 155 S 7.53 4.55 0.00 3.95 3.96 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 0.00 0.00 0.00 156 E 7.22 3.98 0.00 2.18 1.94 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 2.34 2.43 0.00 157 T 8.59 4.03 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.