NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1603 8.2644 123.5847 51.4599 20.3767 174.4582 2 K 3.5281 7.1632 124.5694 57.5116 29.4802 175.8547 3 Q 3.5528 7.9813 123.1237 58.2010 29.9925 179.1458 4 S 3.9661 7.7744 110.4280 62.5546 62.2984 175.6065 5 M 4.2564 8.2617 122.2160 56.7990 32.0091 177.9192 6 K 4.1965 8.6285 120.9942 58.7140 32.7785 178.2301 7 A 4.0319 7.9112 120.2745 54.8344 18.2311 179.6977 8 R 3.8456 7.7384 117.2763 59.5031 30.1903 178.7834 9 E 3.9458 7.8619 119.1962 59.0879 29.4607 179.0735 10 V 3.5919 7.6872 118.0716 65.7402 31.6362 177.7598 11 K 3.9373 7.8671 119.2503 59.6706 31.9329 179.0487 12 R 4.0257 8.0054 118.3559 58.9965 29.6572 179.3707 13 V 3.5713 7.6026 117.2528 65.9459 31.6392 177.6100 14 A 4.2748 8.2616 120.8506 55.3074 18.0670 179.6509 15 L 4.0932 8.3016 117.4330 57.6776 41.5271 178.9408 16 A 4.3529 7.7123 118.4923 53.4278 18.2776 177.3070 17 D 4.9795 7.6682 115.3890 53.4972 41.3120 177.6871 18 K 4.0046 7.5217 117.8983 59.7294 32.1972 177.9641 19 Y 4.1328 8.1273 116.5171 60.8135 38.6898 176.8571 20 F 4.0447 8.3619 116.9918 57.4892 39.8447 176.1384 21 A 3.9624 8.6418 121.1385 53.2324 18.2881 177.8824 22 K 4.5454 7.6172 114.3610 55.6939 31.5361 179.8716 23 R 4.0299 8.8122 117.4686 58.1534 29.7160 177.1665 24 A 3.9492 7.3152 119.9123 52.6654 18.8019 178.3411 25 E 4.0736 8.5259 116.0051 59.0348 30.1077 177.3905 26 L 4.5232 7.4328 120.1268 52.5061 39.3057 175.1178 27 K 4.2796 7.4687 119.7977 56.0343 36.9668 177.2429 28 A 4.1550 7.1643 123.2169 53.9847 18.2139 179.1841 29 I 3.6690 7.6400 115.4140 64.2264 37.4911 178.5433 30 I 3.9555 7.8802 118.7141 63.7071 36.8862 176.7371 31 S 4.7173 7.6100 113.5216 57.9753 63.8947 172.7634 32 D 4.8206 7.8551 118.5559 52.0445 44.2749 173.1051 33 V 3.8281 7.8587 123.2192 62.9633 30.5153 175.2621 34 N 5.1545 8.7090 123.4370 52.5723 41.1430 174.8253 35 A 4.6551 7.7076 122.9615 51.3379 20.2831 174.5614 *40 R 3.7837 8.3128 115.2443 56.5598 30.7776 175.8905 41 W 4.6917 6.7184 114.9663 54.8691 27.3998 176.1064 42 N 4.0987 8.5815 125.1910 56.4628 38.8998 176.4594 43 A 4.1825 7.6340 119.8153 54.4409 18.0387 179.2103 44 V 3.6245 7.4674 110.3601 64.4479 31.8185 177.3697 45 L 4.3723 7.5337 117.0694 55.6191 42.6539 177.9432 46 K 4.1860 7.6930 118.1629 59.6425 32.1173 178.2103 47 L 4.0957 7.9835 119.4383 56.8441 42.3442 177.4502 48 Q 4.3912 7.2826 120.0818 55.3572 27.2410 176.0911 49 T 4.6479 7.3018 116.4413 59.6061 68.9855 174.8140 50 L 4.2066 8.3005 120.7108 55.1176 43.8544 177.6400 51 P 3.1069 0.0000 0.0000 61.6229 32.6060 177.5292 52 R 5.0494 8.5204 133.4904 58.7154 30.6950 174.9343 53 D 4.4675 7.9131 112.6304 55.4822 40.6193 177.4492 54 S 4.4089 7.3642 116.4851 55.0280 60.8637 171.8627 55 S 3.3434 7.2066 112.9376 55.9262 65.4633 175.3694 56 P 4.9888 0.0000 0.0000 65.3387 30.9475 178.1798 57 S 4.1460 7.7482 111.0829 59.6496 62.9479 174.3972 58 R 4.1272 7.8036 120.9270 56.7838 30.3390 175.9337 59 Q 4.2743 7.8691 117.1734 56.5003 29.6707 176.0759 60 R 3.9762 8.8275 116.3852 58.1513 31.7514 174.9575 61 N 3.9386 8.3177 115.1679 53.6710 34.4471 173.3514 62 R 4.5948 7.4768 119.1663 53.7348 32.7049 175.6257 63 C 4.0468 8.8400 120.6665 59.8309 31.3351 174.0751 64 R 3.9283 8.0580 128.2592 59.2043 29.7657 177.1229 65 Q 4.4435 8.0778 114.7625 56.4954 30.1169 176.1178 66 T 4.2849 8.0699 106.0778 62.5726 70.4024 175.2989 67 G 4.0114 8.3436 109.0619 44.8541 0.0000 173.3176 68 R 4.0224 8.0730 120.4699 55.4595 29.3962 175.1163 69 P 4.7706 0.0000 0.0000 63.1218 30.9334 175.8275 70 H 4.8828 8.0197 114.8113 56.0266 32.7017 173.3987 71 G 3.8680 9.0217 110.0941 46.4706 0.0000 173.5085 72 F 4.5638 8.2391 120.6899 58.1180 40.1330 174.7531 73 L 4.4325 7.0265 123.2919 53.6333 43.9223 176.8527 74 R 4.1226 9.1755 124.3444 59.3522 30.2252 179.0552 75 K 3.3383 7.9291 116.6859 58.6326 31.8877 176.8039 76 F 4.7336 7.0410 113.0782 55.8806 40.4288 174.7880 77 G 3.7617 8.1176 110.2165 45.8067 0.0000 171.9303 78 L 4.4187 6.5409 115.9467 52.6147 46.5810 175.2698 79 S 5.6928 8.4022 116.3470 56.3536 65.8556 175.8475 80 R 3.7944 8.1595 123.2104 60.3333 29.4473 177.9148 81 I 3.5180 8.1574 119.7139 64.8426 36.8476 177.8815 82 K 3.8172 7.9312 119.3042 60.3062 32.2153 178.2757 83 V 3.3542 8.4349 118.2129 65.1514 30.9729 178.1575 84 R 3.9037 8.2538 117.2551 59.5665 30.4340 178.2587 85 E 3.8814 8.6698 117.8658 59.6478 29.7559 179.1877 86 A 4.1049 8.2812 120.4537 54.5837 18.5011 179.3551 87 A 3.8878 8.5731 120.6312 55.6728 18.1686 179.5335 88 M 4.3388 7.7882 113.7648 55.7307 31.8588 177.1284 89 R 4.4910 7.4464 115.4480 55.5194 32.3504 176.8522 90 G 4.1316 8.5001 105.8581 46.0748 0.0000 175.5927 91 E 4.1968 7.6564 118.0960 57.4446 29.5150 176.8097 92 I 4.4238 7.0500 118.7883 58.3477 39.0948 173.6458 93 P 4.1442 0.0000 0.0000 63.8827 31.5047 176.6736 94 G 3.9743 8.8053 113.1724 46.6988 0.0000 172.9649 95 L 4.7710 7.8560 119.4630 52.5546 44.7293 175.1602 96 K 4.5148 8.4374 123.2307 55.0210 35.1459 175.1706 97 K 3.6847 8.7389 119.7862 57.3136 32.0365 176.3730 98 A 4.6946 8.2129 128.7465 52.5567 21.2819 175.7511 99 S 4.4193 8.4411 109.1028 58.4407 64.6219 176.9697 100 W 4.7394 7.7189 117.8861 57.1159 27.5718 174.3962 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 A 8.26 4.16 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 2 K 7.16 3.53 0.00 2.07 1.86 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.53 7.81 3 Q 7.98 3.55 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.46 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 4 S 7.77 3.97 0.00 3.89 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 5 M 8.26 4.26 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.69 0.00 6 K 8.63 4.20 0.00 1.78 1.98 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.45 7.81 7 A 7.91 4.03 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 8 R 7.74 3.85 0.00 1.93 1.98 0.00 3.13 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 9 E 7.86 3.95 0.00 2.02 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 2.29 2.34 0.00 10 V 7.69 3.59 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 1.03 0.00 0.00 11 K 7.87 3.94 0.00 1.83 1.95 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.50 7.81 12 R 8.01 4.03 0.00 2.05 1.92 0.00 3.18 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.83 0.00 13 V 7.60 3.57 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 0.82 0.00 0.00 0.92 0.00 0.00 14 A 8.26 4.27 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 15 L 8.30 4.09 0.00 1.88 1.80 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.71 4.35 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 17 D 7.67 4.98 0.00 2.78 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 18 K 7.52 4.00 0.00 1.90 1.78 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.68 7.81 19 Y 8.13 4.13 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 20 F 8.36 4.04 0.00 3.23 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 21 A 8.64 3.96 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 22 K 7.62 4.55 0.00 1.79 1.24 0.00 1.51 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.37 7.81 23 R 8.81 4.03 0.00 1.91 1.96 0.00 3.16 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 24 A 7.32 3.95 0.07 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 25 E 8.53 4.07 0.00 2.09 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 0.00 2.46 2.25 0.00 26 L 7.43 4.52 0.00 1.83 1.67 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.47 4.28 0.00 1.76 1.79 0.00 1.46 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 1.38 7.81 28 A 7.16 4.16 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 29 I 7.64 3.67 1.90 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 1.66 0.96 0.99 0.00 0.00 30 I 7.88 3.96 1.84 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.41 0.97 0.00 0.00 31 S 7.61 4.72 0.00 3.93 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 32 D 7.86 4.82 0.00 2.80 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 33 V 7.86 3.83 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 0.86 0.00 0.00 0.93 0.00 0.00 34 N 8.71 5.15 0.00 2.87 2.91 0.00 0.00 6.63 7.99 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 35 A 7.71 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *40 R 8.31 3.78 0.00 1.33 1.41 0.00 2.21 0.00 0.00 2.56 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 41 W 6.72 4.69 0.00 3.58 3.33 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 42 N 8.58 4.10 0.00 2.80 2.87 0.00 0.00 6.96 8.74 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 43 A 7.63 4.18 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 44 V 7.47 3.62 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 1.06 0.00 0.00 0.94 0.00 0.00 45 L 7.53 4.37 0.00 1.61 1.66 0.93 0.59 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 46 K 7.69 4.19 0.00 1.91 1.85 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.78 1.45 7.81 47 L 7.98 4.10 0.00 1.74 1.71 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 7.28 4.39 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.15 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 49 T 7.30 4.65 4.23 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 1.21 0.00 0.00 50 L 8.30 4.21 0.00 1.49 0.95 1.09 1.17 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 51 P 0.00 3.11 0.00 1.84 1.73 0.00 2.73 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.94 0.00 52 R 8.52 5.05 0.00 1.89 1.87 0.00 3.19 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.40 0.00 53 D 7.91 4.47 0.00 2.68 2.66 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 54 S 7.36 4.41 0.00 3.77 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 55 S 7.21 3.34 0.00 3.38 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 56 P 0.00 4.99 0.00 2.18 2.25 0.00 3.05 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 57 S 7.75 4.15 0.00 3.93 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 58 R 7.80 4.13 0.00 1.70 1.88 0.00 3.22 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 59 Q 7.87 4.27 0.00 2.35 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.36 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 60 R 8.83 3.98 0.00 1.62 1.97 0.00 3.19 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 61 N 8.32 3.94 0.00 2.35 1.97 0.00 0.00 6.80 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 62 R 7.48 4.59 0.00 1.83 1.91 0.00 3.23 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 63 C 8.84 4.05 0.00 3.02 3.10 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 0.00 0.00 0.00 0.00 64 R 8.06 3.93 0.00 2.09 2.02 0.00 3.40 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 65 Q 8.08 4.44 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.61 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 66 T 8.07 4.28 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 1.22 0.00 0.00 67 G 8.34 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.07 4.02 0.00 1.90 1.92 0.00 3.21 0.00 0.00 3.43 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 69 P 0.00 4.77 0.00 2.14 2.10 0.00 3.79 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 1.98 1.98 0.00 70 H 8.02 4.88 0.00 3.15 3.18 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 9.02 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 0.00 0.00 0.00 72 F 8.24 4.56 0.00 3.01 3.01 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 0.00 0.00 0.00 73 L 7.03 4.43 0.00 1.86 1.66 1.07 1.05 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 74 R 9.18 4.12 0.00 1.86 2.05 0.00 3.37 0.00 0.00 3.43 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.68 0.00 75 K 7.93 3.34 0.00 1.24 0.74 0.00 1.20 0.00 0.00 1.40 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.70 0.21 7.81 76 F 7.04 4.73 0.00 2.73 2.93 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 0.00 0.00 0.00 0.00 77 G 8.12 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 0.00 0.00 0.00 78 L 6.54 4.42 0.00 1.58 1.46 0.89 0.73 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 79 S 8.40 5.69 0.00 3.86 3.77 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 80 R 8.16 3.79 0.00 2.03 2.19 0.00 3.00 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 81 I 8.16 3.52 1.86 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 1.63 0.81 0.90 0.00 0.00 82 K 7.93 3.82 0.00 1.73 1.84 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.44 7.81 83 V 8.43 3.35 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 0.54 0.00 0.00 0.81 0.00 0.00 84 R 8.25 3.90 0.00 1.85 2.22 0.00 3.14 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 85 E 8.67 3.88 0.00 2.03 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 2.48 2.47 0.00 86 A 8.28 4.10 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 87 A 8.57 3.89 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 88 M 7.79 4.34 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.87 0.00 89 R 7.45 4.49 0.00 1.75 1.83 0.00 3.20 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 90 G 8.50 4.13 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 0.00 0.00 0.00 91 E 7.66 4.20 0.00 1.90 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 2.25 2.44 0.00 92 I 7.05 4.42 1.80 0.00 0.00 0.42 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 0.52 0.94 0.00 0.00 93 P 0.00 4.14 0.00 2.07 2.05 0.00 3.91 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 94 G 8.81 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 95 L 7.86 4.77 0.00 1.59 1.66 0.98 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.44 4.51 0.00 1.85 1.72 0.00 1.59 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.54 7.81 97 K 8.74 3.68 0.00 1.77 1.87 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.47 7.81 98 A 8.21 4.69 1.49 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 0.00 0.00 99 S 8.44 4.42 0.00 3.76 3.73 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 0.00 100 W 7.72 4.74 0.00 3.38 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 * Residues marked with a * may have inaccurate shift predictions.