NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 D 4.6238 8.2227 120.5356 54.4773 43.3281 177.2499 11 L 3.6896 7.8576 119.7943 57.6013 41.9888 176.8621 12 H 4.0298 9.0552 119.0009 59.4027 30.1400 176.3141 13 E 3.9546 8.0927 119.5353 59.6169 29.2074 179.0432 14 I 3.6769 7.4415 118.2901 64.4213 37.4167 178.3209 15 L 3.9535 7.6768 119.4764 58.1233 41.3764 178.8842 16 H 4.1310 7.3969 114.8496 59.1571 28.7567 176.5715 17 E 4.1200 8.0886 119.0535 58.5917 29.4983 177.3792 18 A 4.7084 7.5875 117.3457 51.5227 19.7507 175.8309 19 V 4.5507 7.4647 109.7815 59.0171 34.8625 174.0166 20 P 4.4656 0.0000 0.0000 62.7073 31.9022 175.6490 21 L 4.8522 8.0623 119.4484 52.3685 44.8018 177.0495 22 D 4.6289 8.9859 123.4612 52.7348 41.5944 177.3778 23 A 4.0329 8.4392 121.1853 55.5166 18.2618 179.6661 24 N 4.6278 8.0679 115.7963 55.7718 38.6117 177.4909 25 E 3.9391 8.9184 120.5616 59.3337 29.6236 179.1671 26 R 3.8916 8.5627 119.3360 59.4282 29.7165 178.3084 27 E 3.9913 8.2028 117.3713 59.6108 29.4773 179.2904 28 I 3.8352 7.6623 120.4042 63.9711 37.1291 178.3116 29 L 4.0189 8.2651 120.1882 57.8984 41.3953 179.4457 30 E 3.9997 8.3784 118.5498 59.3564 29.2051 179.4239 31 L 4.0784 7.6227 118.3909 57.6499 41.6824 179.6116 32 K 4.0883 8.3583 118.6653 59.2833 31.9246 179.0008 33 E 4.0815 8.6481 120.0633 59.2383 29.6081 178.1517 34 D 4.3349 8.2079 117.9038 57.5590 41.3268 178.2431 35 A 4.0150 7.8293 121.0287 55.1176 18.3064 179.4389 36 F 4.0376 8.5262 118.9907 61.3277 39.4113 176.9862 37 A 3.7428 8.3935 120.8544 55.4747 18.0830 179.7474 38 Q 3.8364 7.9461 116.1747 58.9006 28.8330 178.7847 39 R 3.7728 7.6145 119.2316 59.4634 30.1639 178.5434 40 R 3.6252 7.9393 118.8147 59.2127 29.8389 178.4744 41 R 3.8395 8.0046 118.7042 59.2477 29.9408 178.1981 42 E 3.9110 8.0999 118.4104 59.5386 29.4769 179.5369 43 I 3.6913 7.5926 119.4826 64.5682 37.1627 178.4661 44 E 4.0060 8.5777 119.7242 59.6342 29.1828 179.6229 45 T 3.8601 8.1570 116.1540 66.5568 68.4351 176.9884 46 R 3.9014 7.7869 120.2084 58.9494 29.9952 178.8023 47 L 3.9193 7.8872 120.1214 58.2919 42.1418 179.1935 48 R 3.8775 8.1767 117.8648 59.2648 30.0118 178.9584 49 A 3.9599 8.0185 120.2735 55.0778 18.3694 179.5867 50 A 4.0199 8.0860 119.3553 55.4319 18.3866 179.6683 51 N 4.3835 8.5909 115.5096 56.2799 38.4704 177.9253 52 G 3.5595 8.0339 107.3408 47.5432 0.0000 176.1122 53 K 3.9811 8.1143 120.7942 59.0333 31.9162 179.5588 54 L 3.8533 8.0734 119.3026 57.5672 41.5678 179.2187 55 A 3.9543 8.1417 120.9047 55.2994 18.3295 179.4702 56 D 4.2477 8.3135 117.2390 57.3900 40.9117 178.8770 57 A 3.9428 8.0015 121.2086 55.3756 18.1909 179.8575 58 I 3.6755 7.8801 117.1991 64.2373 37.1850 178.2638 59 A 4.1146 7.8648 121.2084 54.8064 18.2306 179.3226 60 K 4.2735 7.8561 117.6187 58.4055 32.4274 176.7684 61 N 4.4038 7.8042 116.6948 52.4697 41.2090 173.2638 62 P 4.5947 0.0000 0.0000 61.8886 30.3842 175.2956 63 A 4.8301 7.1922 120.1329 50.7164 22.8550 176.9011 64 W 4.3034 8.6056 130.7882 56.5778 29.2222 176.5823 65 S 4.6338 7.7209 119.3552 56.2491 65.6763 173.1210 66 P 4.5122 0.0000 0.0000 65.6148 30.8754 178.8603 67 E 3.9365 8.0125 117.2885 59.1118 29.4465 179.1927 68 V 3.2487 7.3567 118.2773 65.5983 31.4834 177.7133 69 E 3.9717 8.4988 119.1142 59.3725 29.5949 178.6396 70 A 3.9881 8.1492 120.6459 55.1497 18.3727 179.5142 71 A 3.9251 7.9953 119.3040 55.4551 18.3519 179.8229 72 T 3.7793 8.1041 114.7138 67.0544 68.4256 176.7613 73 Q 4.5385 8.1206 121.1609 58.5202 28.7103 178.6015 74 E 3.9473 8.2587 119.7173 59.2845 29.3854 179.5981 75 V 3.5699 7.9754 118.3250 66.0516 31.6090 177.9358 76 E 3.9735 8.4697 118.6281 59.4392 29.3321 179.3345 77 R 3.8897 8.3082 118.7073 59.4286 30.0676 178.4808 78 A 4.0843 8.0349 120.4094 54.8519 17.8749 179.4813 79 A 4.0325 8.4522 119.9051 55.1768 18.4247 180.0798 80 G 3.5923 8.1740 104.1789 48.1543 0.0000 175.4452 81 D 4.4041 8.5744 122.2513 57.0748 40.8500 178.8583 82 L 4.0027 8.2334 120.8153 58.2106 42.0528 179.1283 83 Q 4.0272 7.8612 117.2192 58.8159 28.6715 178.5314 84 R 3.8574 8.2478 119.5710 59.5361 30.1982 178.2921 85 A 4.1743 8.3719 120.7907 55.5670 18.3553 179.6901 86 T 3.7173 8.2424 114.0991 66.8306 68.4524 176.8910 87 L 4.0598 7.9808 120.8369 57.7697 41.6173 179.6080 88 V 3.7006 8.3517 118.6713 66.3832 31.2041 177.5262 89 H 4.2610 8.1492 116.7484 59.2580 29.6982 176.7802 90 V 3.6757 7.5464 118.8929 66.3692 31.5135 177.7535 91 F 4.1920 8.1919 117.0724 60.1428 38.2998 177.9879 92 E 3.7893 8.3791 115.3188 57.2646 29.1235 178.7025 *94 R 3.4176 7.9829 121.3470 56.0652 31.6450 177.3633 95 A 4.0481 7.7610 119.2190 54.3227 18.4070 178.2366 96 G 3.8067 7.3845 102.0364 46.0505 0.0000 174.0202 97 L 4.4938 7.3269 120.3244 53.0876 42.9537 176.9012 98 K 3.9420 8.8698 121.8438 56.3247 32.9195 176.2133 99 P 4.2201 0.0000 0.0000 65.9473 31.0296 178.7989 100 E 4.0460 8.0956 114.2652 58.9267 29.6817 177.6697 101 H 4.8276 8.0184 115.7188 56.1110 29.2429 177.1289 102 R 4.0516 7.8064 121.4161 58.7098 29.9394 176.8181 103 P 4.2454 0.0000 0.0000 65.6442 31.1368 178.4437 104 A 4.0392 8.0205 119.0761 55.0992 18.3464 178.9521 105 Y 4.0341 7.6703 116.6806 61.0756 38.8830 177.8710 106 D 4.3494 8.5351 120.1097 57.4585 40.8951 178.9780 107 R 3.8689 8.0284 118.5570 59.3105 30.0049 179.3252 108 V 3.4908 7.3407 116.5915 65.6302 31.4268 177.8355 109 L 3.6873 7.5612 120.0779 58.1041 41.9024 179.1223 110 I 3.6490 7.8757 119.8960 64.5475 36.9493 178.1797 111 D 4.3135 8.0093 119.4835 57.1003 40.3613 178.5920 112 A 3.9376 8.0337 120.7523 55.3902 18.5037 179.3183 113 L 4.0506 7.7833 115.9209 58.0853 41.7785 179.7695 114 R 4.1014 7.8048 116.3699 57.0433 30.1147 176.9018 115 R 4.1527 7.1648 122.3892 56.2973 32.3811 173.9102 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 10 D 8.22 4.62 0.00 2.81 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 11 L 7.86 3.69 0.00 1.81 1.64 0.84 0.56 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 12 H 9.06 4.03 0.00 3.13 3.29 0.00 5.75 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 13 E 8.09 3.95 0.00 2.13 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 2.43 2.37 0.00 14 I 7.44 3.68 1.94 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 1.48 0.43 0.82 0.00 0.00 15 L 7.68 3.95 0.00 1.50 1.59 0.70 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 16 H 7.40 4.13 0.00 3.35 3.36 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.09 4.12 0.00 2.08 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 0.00 2.31 2.38 0.00 18 A 7.59 4.71 1.24 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 0.00 0.00 19 V 7.46 4.55 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 0.87 0.00 0.00 1.05 0.00 0.00 20 P 0.00 4.47 0.00 2.14 2.03 0.00 3.70 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 1.94 1.96 0.00 21 L 8.06 4.85 0.00 1.60 1.57 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.99 4.63 0.00 2.96 2.82 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 23 A 8.44 4.03 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 24 N 8.07 4.63 0.00 2.98 2.88 0.00 0.00 7.63 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 25 E 8.92 3.94 0.00 2.14 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 2.50 2.46 0.00 26 R 8.56 3.89 0.00 1.88 2.06 0.00 3.10 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 27 E 8.20 3.99 0.00 2.26 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 0.00 2.51 2.34 0.00 28 I 7.66 3.84 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.82 0.91 0.00 0.00 29 L 8.27 4.02 0.00 1.83 1.76 0.92 1.09 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 30 E 8.38 4.00 0.00 2.20 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 2.34 2.63 0.00 31 L 7.62 4.08 0.00 1.92 1.73 0.93 0.68 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 32 K 8.36 4.09 0.00 2.01 1.98 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.61 7.81 33 E 8.65 4.08 0.00 2.34 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 0.00 2.41 2.51 0.00 34 D 8.21 4.33 0.00 2.87 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 35 A 7.83 4.01 1.40 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 0.00 0.00 36 F 8.53 4.04 0.00 2.95 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 37 A 8.39 3.74 1.40 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 0.00 0.00 38 Q 7.95 3.84 0.00 2.18 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 39 R 7.61 3.77 0.00 1.89 1.90 0.00 3.11 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 40 R 7.94 3.63 0.00 0.92 1.59 0.00 3.01 0.00 0.00 2.91 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.46 0.00 41 R 8.00 3.84 0.00 1.84 2.02 0.00 3.13 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 42 E 8.10 3.91 0.00 2.26 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 2.30 2.38 0.00 43 I 7.59 3.69 1.94 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 1.51 0.63 0.92 0.00 0.00 44 E 8.58 4.01 0.00 1.95 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 0.00 2.30 2.47 0.00 45 T 8.16 3.86 4.35 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 1.19 0.00 0.00 46 R 7.79 3.90 0.00 1.98 1.96 0.00 3.12 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 47 L 7.89 3.92 0.00 1.76 1.84 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.18 3.88 0.00 2.03 1.95 0.00 3.17 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 49 A 8.02 3.96 1.35 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 0.00 0.00 50 A 8.09 4.02 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 51 N 8.59 4.38 0.00 2.86 2.86 0.00 0.00 6.93 7.87 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 52 G 8.03 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 0.00 0.00 0.00 53 K 8.11 3.98 0.00 1.93 1.81 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.60 7.81 54 L 8.07 3.85 0.00 1.81 1.61 0.84 0.57 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 55 A 8.14 3.95 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 56 D 8.31 4.25 0.00 2.82 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 57 A 8.00 3.94 1.28 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 0.00 0.00 58 I 7.88 3.68 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 1.38 0.57 0.89 0.00 0.00 59 A 7.86 4.11 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 60 K 7.86 4.27 0.00 1.82 2.06 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.43 7.81 61 N 7.80 4.40 0.00 2.65 2.65 0.00 0.00 7.30 7.30 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 62 P 0.00 4.59 0.00 2.24 2.09 0.00 3.77 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 2.00 1.96 0.00 63 A 7.19 4.83 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 64 W 8.61 4.30 0.00 3.46 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 65 S 7.72 4.63 0.00 4.25 3.99 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 66 P 0.00 4.51 0.00 2.18 2.17 0.00 3.60 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 67 E 8.01 3.94 0.00 1.98 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 0.00 2.36 2.39 0.00 68 V 7.36 3.25 1.69 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 -0.37 0.00 0.00 0.73 0.00 0.00 69 E 8.50 3.97 0.00 2.34 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 0.00 2.47 2.49 0.00 70 A 8.15 3.99 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 71 A 8.00 3.93 1.28 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 0.00 0.00 72 T 8.10 3.78 4.46 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 1.41 0.00 0.00 73 Q 8.12 4.54 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 74 E 8.26 3.95 0.00 2.20 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 2.32 2.46 0.00 75 V 7.98 3.57 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 1.13 0.00 0.00 0.97 0.00 0.00 76 E 8.47 3.97 0.00 2.24 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 2.38 2.53 0.00 77 R 8.31 3.89 0.00 1.99 2.08 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.66 0.00 78 A 8.03 4.08 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 79 A 8.45 4.03 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 80 G 8.17 3.59 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 0.00 0.00 0.00 81 D 8.57 4.40 0.00 2.81 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 82 L 8.23 4.00 0.00 1.77 1.85 0.97 1.10 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 83 Q 7.86 4.03 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 84 R 8.25 3.86 0.00 1.90 2.12 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 85 A 8.37 4.17 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.24 3.72 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 1.19 0.00 0.00 87 L 7.98 4.06 0.00 1.91 1.85 0.97 0.96 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 88 V 8.35 3.70 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 1.15 0.00 0.00 1.03 0.00 0.00 89 H 8.15 4.26 0.00 2.92 2.92 0.00 6.02 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.55 3.68 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 0.69 0.00 0.00 0.85 0.00 0.00 91 F 8.19 4.19 0.00 3.24 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 92 E 8.38 3.79 0.00 2.18 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 2.39 2.58 0.00 *94 R 7.98 3.42 0.00 1.54 1.98 0.00 3.14 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.40 0.00 95 A 7.76 4.05 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 96 G 7.38 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 0.00 0.00 0.00 97 L 7.33 4.49 0.00 1.64 1.55 0.59 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 98 K 8.87 3.94 0.00 1.77 1.81 0.00 1.87 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.42 7.81 99 P 0.00 4.22 0.00 2.12 2.10 0.00 3.55 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 100 E 8.10 4.05 0.00 2.08 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 1.91 2.21 0.00 101 H 8.02 4.83 0.00 3.32 3.35 0.00 5.63 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.81 4.05 0.00 1.97 1.97 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.83 0.00 103 P 0.00 4.25 0.00 2.17 2.12 0.00 3.77 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 104 A 8.02 4.04 1.40 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 0.00 0.00 105 Y 7.67 4.03 0.00 3.09 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 0.00 106 D 8.54 4.35 0.00 2.93 2.71 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 0.00 107 R 8.03 3.87 0.00 2.00 1.96 0.00 3.12 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 108 V 7.34 3.49 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 0.90 0.00 0.00 0.87 0.00 0.00 109 L 7.56 3.69 0.00 1.33 1.61 0.74 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 110 I 7.88 3.65 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 1.51 0.56 0.89 0.00 0.00 111 D 8.01 4.31 0.00 2.78 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 0.00 112 A 8.03 3.94 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 0.00 113 L 7.78 4.05 0.00 1.75 1.74 0.90 1.01 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 0.00 114 R 7.80 4.10 0.00 1.91 1.98 0.00 3.25 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 115 R 7.16 4.15 0.00 1.82 1.94 0.00 3.24 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.33 0.00 * Residues marked with a * may have inaccurate shift predictions.