NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.6379 8.3549 109.7206 44.8728 0.0000 172.8775 2 F 3.8444 8.4513 121.4406 55.3403 38.9966 172.8132 3 P 4.2505 0.0000 0.0000 62.8789 32.3263 175.8273 4 I 4.2693 8.3968 124.5278 59.3421 36.6015 173.8614 5 P 4.3666 0.0000 0.0000 63.4865 31.3950 175.4884 6 D 4.7165 8.4901 119.5779 52.5835 43.0090 173.1654 7 P 4.5006 0.0000 0.0000 63.2781 31.7205 176.4843 8 Y 4.6558 8.7439 120.5833 57.0327 36.9296 174.4939 9 V 4.7218 7.6415 123.4241 59.8513 35.2273 174.5696 10 W 2.6397 8.1610 133.8993 56.1000 31.3577 175.1663 11 D 4.8555 7.5290 123.6776 50.3465 41.9585 174.8646 12 P 3.8023 0.0000 0.0000 65.1991 31.4245 178.5968 13 S 4.0204 7.1626 111.4420 60.1870 62.8413 175.0363 14 F 4.2294 7.2673 118.9556 57.5790 39.1192 176.1943 15 R 4.1199 7.1671 120.3245 57.3277 30.0614 176.4209 16 T 3.8950 9.0400 112.1137 61.0715 69.9349 175.6285 17 F 3.9655 7.5290 118.8166 58.1542 36.7664 174.8379 18 Y 4.6407 7.5471 120.8368 55.4434 37.9141 176.0062 19 S 4.0520 8.6691 119.5517 61.4426 62.6284 175.7064 20 I 3.6778 7.7650 120.5181 64.2848 38.0101 177.7326 21 I 3.7946 7.8599 120.1658 64.3813 36.9408 177.9692 22 D 4.4683 8.4904 119.9790 57.7259 40.7450 178.7004 23 D 4.1017 7.7811 118.6236 57.2041 40.2317 178.8234 24 E 3.9812 8.0267 118.8513 59.5076 29.3736 178.9046 25 H 4.6056 8.0741 117.6279 58.3139 28.9338 177.7976 26 K 3.7863 7.6905 120.4114 59.7967 31.9008 179.4993 27 T 3.9226 7.6931 109.4362 64.5947 68.7247 176.3856 28 L 3.8680 8.0987 123.2684 57.8361 42.0177 178.7672 29 F 4.2108 8.8150 118.1503 60.8353 39.0470 177.1057 30 N 4.4541 8.3963 116.1953 56.5398 38.7922 176.9341 31 G 3.6752 8.0217 107.0314 48.1635 0.0000 175.7749 32 I 3.7103 7.7710 122.7944 63.8128 36.8177 177.6222 33 F 4.0567 8.5329 120.3787 62.6935 39.3482 176.7915 34 H 4.3867 8.8688 114.9572 58.5303 28.5971 177.6762 35 L 3.8980 7.8164 121.8119 58.3146 41.7439 179.0912 36 A 4.1100 8.1078 119.2074 54.7872 18.3468 178.9300 37 I 4.1279 7.1864 116.2214 61.5500 38.3072 175.6371 38 D 4.6399 7.5849 115.7310 53.6186 43.4890 175.8056 39 D 4.5889 8.1530 121.2670 54.7590 41.3985 175.9120 40 N 4.7392 8.7093 116.1938 52.4686 37.9993 175.7426 41 A 3.9259 8.5641 120.3757 55.4369 18.1906 179.8277 42 D 4.2342 7.9612 116.9096 57.5233 40.9431 178.5731 43 N 4.2716 7.9789 116.4989 56.2244 38.5956 177.0707 44 L 3.7379 8.0889 122.0558 57.8709 42.1050 179.2779 45 G 3.4642 8.0758 105.8103 47.6270 0.0000 175.2528 46 E 3.8549 8.3188 122.4283 58.7549 29.6840 178.6080 47 L 3.7779 7.9534 120.4751 58.2598 41.9897 178.7331 48 R 3.7136 8.3310 119.2366 59.3288 29.8238 178.4652 49 R 3.8112 7.9440 118.3376 59.5441 30.2372 177.7961 50 C 3.9721 7.9370 118.4215 63.0058 31.3700 175.6142 51 T 3.5092 8.1943 117.6191 66.4036 68.0104 176.7284 52 G 3.6642 7.7227 109.7339 48.4100 0.0000 176.2802 53 K 3.9709 8.0339 125.7706 59.8862 31.8330 180.7408 54 H 4.6293 8.1039 121.1684 58.6866 29.7057 177.2992 55 F 4.3123 9.0101 120.0290 60.4985 38.5549 177.4135 56 L 4.2960 8.0317 120.0301 58.0812 41.8874 178.6347 57 N 4.3340 8.3269 116.5495 56.2338 38.4408 177.0270 58 E 3.8379 8.3157 120.8181 59.1293 29.6834 178.8575 59 Q 4.2477 7.9949 118.4997 58.7034 28.8086 178.5681 60 V 3.6067 8.1991 122.1169 66.8291 31.4192 178.8012 61 L 3.9737 7.8876 120.8089 59.4898 40.8170 181.0730 62 M 4.2911 7.9579 118.4273 58.7921 32.1641 178.9039 63 Q 3.7394 8.4237 118.1229 58.6194 28.5451 178.6223 64 A 4.2220 7.7562 120.5342 53.8671 18.3566 177.9738 65 S 4.5385 7.4845 111.7905 57.9133 64.9095 174.3828 66 Q 3.0883 7.7552 116.0296 56.5297 26.4872 174.4829 67 Y 4.2125 8.2610 119.2079 58.0242 39.6703 176.1673 68 Q 3.4610 8.3528 128.8640 58.7469 28.9542 177.9032 69 F 4.7827 5.4600 115.1983 57.2096 40.0144 177.5152 70 Y 4.3869 7.9904 123.3055 61.0787 38.6798 176.6089 71 D 4.3003 8.2886 119.4233 57.4873 41.0445 178.5670 72 E 4.0708 8.2251 117.4507 59.8842 29.6757 178.4498 73 H 4.2576 8.1734 119.1606 58.4908 29.8821 177.1536 74 K 3.7965 7.9313 121.8982 58.9809 31.9830 178.9624 75 K 4.0172 8.5703 119.2669 59.3415 31.8521 179.0195 76 E 4.2088 8.2748 118.8137 60.1082 29.6335 179.1248 77 H 3.9498 8.1203 115.7302 58.9650 28.6641 177.7523 78 E 4.1904 8.5191 122.8578 60.3379 29.1841 179.8251 *79 T 3.8447 8.0267 114.5294 66.2719 68.4881 178.1316 80 F 4.0993 8.0278 123.0602 60.9836 39.2000 177.5492 81 I 3.5400 7.8775 119.2021 64.4080 36.6931 177.7374 82 H 4.1104 8.5620 118.2681 59.0884 29.9678 176.7115 83 A 4.0918 8.2762 122.7945 55.4467 18.0767 179.6715 84 L 3.6177 7.5049 115.8476 57.7541 41.6364 179.0551 85 D 4.5244 7.8227 117.1924 55.3813 42.1654 176.1774 86 N 5.0166 7.6759 115.7256 51.2767 39.1543 174.5697 87 W 4.5835 8.2016 130.2775 58.4587 31.8215 175.9489 88 K 4.1834 7.5478 124.4312 53.8515 32.4147 175.5037 89 G 3.7768 6.0035 106.2996 46.3255 0.0000 175.3518 90 D 4.4875 6.2086 121.9740 54.1570 39.1353 177.0432 91 V 4.0669 7.9443 125.4483 65.3431 32.0986 177.3041 92 K 4.1472 8.1656 118.9024 59.3274 31.9283 178.9484 93 W 4.2821 8.6152 127.6877 60.4476 30.6150 177.6799 94 A 3.9510 8.4154 120.5330 55.0454 17.9429 179.4582 95 K 3.8397 8.6647 119.0581 59.1332 32.2131 179.7508 96 S 4.2609 8.3486 114.2226 60.8577 62.8996 176.3190 97 W 3.5353 8.1426 132.5014 60.2319 29.8479 177.2220 98 Y 4.2133 8.5268 119.8136 60.7200 38.3309 178.2031 99 V 3.3726 7.6394 118.8641 66.2276 31.8746 177.7953 100 N 3.8542 7.9314 115.7847 55.9599 38.1414 177.0500 101 H 3.4098 7.4620 119.9553 58.9248 29.8414 177.1788 102 I 3.7281 6.7118 122.3177 63.8554 36.7539 178.7302 103 K 2.0000 6.7543 117.3890 57.9563 31.6331 178.5142 104 T 4.3186 6.9692 107.3079 61.5109 70.2818 175.5751 105 I 3.9978 7.1503 121.6350 63.0577 38.2347 177.6324 106 D 3.8989 7.3221 119.0023 57.2222 40.6194 178.5758 107 F 4.1225 8.2220 118.3299 60.4706 38.5990 177.7804 108 K 4.1079 7.4619 117.2521 58.5667 32.0461 177.7537 109 Y 4.6214 7.5973 117.0232 55.8338 38.3128 175.4916 110 K 4.5808 7.2737 121.6911 58.6664 32.4129 177.2272 111 G 4.1146 9.7347 112.2859 45.6785 0.0000 173.6882 112 K 4.7305 8.7703 117.3477 55.7098 33.8281 176.2860 113 I 4.1225 7.7156 117.5398 60.8747 37.5954 175.1407 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 G 8.35 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 0.00 0.00 0.00 2 F 8.45 3.84 0.00 3.28 2.96 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 3 P 0.00 4.25 0.00 2.21 2.09 0.00 3.85 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 2.01 1.99 0.00 4 I 8.40 4.27 2.03 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.96 1.25 0.00 0.00 5 P 0.00 4.37 0.00 2.40 2.29 0.00 3.94 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.13 0.00 6 D 8.49 4.72 0.00 2.74 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 P 0.00 4.50 0.00 2.55 2.34 0.00 3.91 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 2.09 0.00 8 Y 8.74 4.66 0.00 3.14 3.28 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 9 V 7.64 4.72 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 0.83 0.00 0.00 0.98 0.00 0.00 10 W 8.16 2.64 0.00 2.42 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 11 D 7.53 4.86 0.00 2.70 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 12 P 0.00 3.80 0.00 2.07 2.13 0.00 3.44 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 13 S 7.16 4.02 0.00 3.69 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 14 F 7.27 4.23 0.00 2.05 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 15 R 7.17 4.12 0.00 1.46 0.98 0.00 3.21 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.74 0.00 16 T 9.04 3.90 4.71 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 1.56 0.00 0.00 17 F 7.53 3.97 0.00 3.05 3.08 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 0.00 0.00 0.00 18 Y 7.55 4.64 0.00 3.08 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 19 S 8.67 4.05 0.00 3.93 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 20 I 7.77 3.68 1.90 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 1.65 1.08 0.95 0.00 0.00 21 I 7.86 3.79 2.19 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.69 1.14 0.00 0.00 22 D 8.49 4.47 0.00 2.82 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 23 D 7.78 4.10 0.00 2.76 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 24 E 8.03 3.98 0.00 2.14 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 2.34 2.66 0.00 25 H 8.07 4.61 0.00 3.53 3.74 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.69 3.79 0.00 1.68 1.58 0.00 1.20 0.00 0.00 1.10 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.30 0.66 7.81 27 T 7.69 3.92 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 1.25 0.00 0.00 28 L 8.10 3.87 0.00 1.97 1.73 0.80 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.82 4.21 0.00 3.39 3.15 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 30 N 8.40 4.45 0.00 2.87 3.07 0.00 0.00 7.14 7.58 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 31 G 8.02 3.68 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 0.00 0.00 0.00 32 I 7.77 3.71 1.81 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 1.32 0.81 0.68 0.00 0.00 33 F 8.53 4.06 0.00 3.44 3.30 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 34 H 8.87 4.39 0.00 3.44 3.42 0.00 5.88 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.82 3.90 0.00 1.85 1.81 1.10 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.11 4.11 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 37 I 7.19 4.13 1.95 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.36 0.91 0.00 0.00 38 D 7.58 4.64 0.00 2.67 2.53 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 39 D 8.15 4.59 0.00 2.89 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 40 N 8.71 4.74 0.00 2.89 3.14 0.00 0.00 6.86 7.19 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 41 A 8.56 3.93 1.32 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 0.00 0.00 42 D 7.96 4.23 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 43 N 7.98 4.27 0.00 2.84 2.84 0.00 0.00 6.74 6.74 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 44 L 8.09 3.74 0.00 1.61 1.66 0.12 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.08 3.46 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 0.00 46 E 8.32 3.85 0.00 2.09 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 2.27 2.32 0.00 47 L 7.95 3.78 0.00 1.64 1.65 0.75 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.33 3.71 0.00 1.75 1.96 0.00 3.01 0.00 0.00 2.85 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 49 R 7.94 3.81 0.00 1.86 1.99 0.00 3.13 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 50 C 7.94 3.97 0.00 3.12 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 51 T 8.19 3.51 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 0.28 0.00 0.00 52 G 7.72 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 53 K 8.03 3.97 0.00 1.79 1.83 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.32 7.81 54 H 8.10 4.63 0.00 3.32 3.59 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 9.01 4.31 0.00 3.27 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 56 L 8.03 4.30 0.00 1.93 1.94 0.99 0.71 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 57 N 8.33 4.33 0.00 2.96 2.86 0.00 0.00 6.66 6.96 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 58 E 8.32 3.84 0.00 2.17 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 0.00 2.10 2.31 0.00 59 Q 7.99 4.25 0.00 2.44 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 60 V 8.20 3.61 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 0.96 0.00 0.00 1.02 0.00 0.00 61 L 7.89 3.97 0.00 1.77 1.58 0.92 1.25 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 62 M 7.96 4.29 0.00 2.39 2.51 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.12 0.00 63 Q 8.42 3.74 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 1.48 1.95 0.00 64 A 7.76 4.22 1.32 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 0.00 0.00 65 S 7.48 4.54 0.00 3.83 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 66 Q 7.76 3.09 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 67 Y 8.26 4.21 0.00 3.01 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 68 Q 8.35 3.46 0.00 1.51 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.33 0.00 0.00 0.00 0.00 0.00 1.16 1.91 0.00 69 F 5.46 4.78 0.00 3.18 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 70 Y 7.99 4.39 0.00 3.25 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 71 D 8.29 4.30 0.00 2.78 2.75 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 72 E 8.23 4.07 0.00 2.24 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 0.00 2.69 2.42 0.00 73 H 8.17 4.26 0.00 3.49 3.43 0.00 5.60 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.93 3.80 0.00 1.11 1.66 0.00 1.60 0.00 0.00 1.59 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.37 7.81 75 K 8.57 4.02 0.00 1.96 1.91 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.70 1.66 7.81 76 E 8.27 4.21 0.00 2.30 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 0.00 2.63 2.49 0.00 77 H 8.12 3.95 0.00 3.30 3.20 0.00 5.64 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 78 E 8.52 4.19 0.00 2.35 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 2.40 2.55 0.00 *79 T 8.03 3.84 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 80 F 8.03 4.10 0.00 1.51 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 81 I 7.88 3.54 2.22 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.12 0.92 0.00 0.00 82 H 8.56 4.11 0.00 3.14 3.59 0.00 5.96 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.28 4.09 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 84 L 7.50 3.62 0.00 1.41 1.35 0.35 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.82 4.52 0.00 2.79 2.67 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 86 N 7.68 5.02 0.00 2.51 2.62 0.00 0.00 6.91 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 87 W 8.20 4.58 0.00 3.12 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 88 K 7.55 4.18 0.00 1.77 1.62 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.23 0.96 7.81 89 G 6.00 3.78 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 0.00 0.00 0.00 90 D 6.21 4.49 0.00 2.34 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 0.00 0.00 0.00 0.00 91 V 7.94 4.07 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 0.80 0.00 0.00 0.93 0.00 0.00 92 K 8.17 4.15 0.00 1.89 2.00 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.55 7.81 93 W 8.62 4.28 0.00 3.54 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 8.42 3.95 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 0.00 0.00 0.00 0.00 0.00 95 K 8.66 3.84 0.00 1.95 1.86 0.00 1.56 0.00 0.00 1.66 0.00 0.00 2.46 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.30 1.13 7.81 96 S 8.35 4.26 0.00 4.09 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 0.00 97 W 8.14 3.54 0.00 2.31 2.60 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 98 Y 8.53 4.21 0.00 2.89 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 99 V 7.64 3.37 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 1.05 0.00 0.00 1.04 0.00 0.00 100 N 7.93 3.85 0.00 2.57 2.62 0.00 0.00 6.76 7.53 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 0.00 101 H 7.46 3.41 0.00 2.10 3.02 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 6.71 3.73 1.59 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.78 0.88 0.00 0.00 103 K 6.75 2.00 0.00 0.79 0.74 0.00 0.84 0.00 0.00 0.99 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.31 0.59 7.81 104 T 6.97 4.32 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 1.27 0.00 0.00 105 I 7.15 4.00 1.38 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.69 0.44 0.00 0.00 106 D 7.32 3.90 0.00 2.73 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 0.00 0.00 0.00 0.00 107 F 8.22 4.12 0.00 2.89 2.99 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 0.00 0.00 0.00 108 K 7.46 4.11 0.00 1.94 1.98 0.00 1.53 0.00 0.00 1.74 0.00 0.00 2.51 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.40 1.56 7.81 109 Y 7.60 4.62 0.00 2.56 2.40 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 0.00 110 K 7.27 4.58 0.00 1.80 1.95 0.00 1.68 0.00 0.00 0.87 0.00 0.00 2.73 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.70 1.42 7.81 111 G 9.73 4.11 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 0.00 112 K 8.77 4.73 0.00 2.15 2.17 0.00 1.95 0.00 0.00 2.24 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.55 1.53 7.81 113 I 7.72 4.12 1.80 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 -0.08 0.62 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.