NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.5302 8.1801 120.5915 54.6549 44.1102 176.4146 3 A 4.5878 7.6900 117.8400 50.7076 22.8960 172.5847 4 E 5.3424 8.5508 116.5754 54.9942 34.5332 174.2185 5 F 5.0545 8.5676 118.3590 55.6823 41.8814 174.0213 6 E 4.5718 8.8482 118.9092 57.0910 30.4166 176.5131 7 D 4.6104 8.6255 123.6660 52.9380 44.8026 174.0047 8 R 5.0656 8.5345 114.2393 54.6846 34.4047 174.4438 9 V 4.2929 8.5518 119.8299 61.9544 33.1978 175.7226 10 A 3.8468 10.0242 132.3833 53.1733 16.5165 177.5282 11 G 3.9669 8.5125 108.1049 46.1585 0.0000 173.8365 12 I 4.3299 7.6186 121.7851 58.9103 38.3133 173.4028 13 P 4.8800 0.0000 0.0000 63.4688 32.1229 175.1675 14 C 4.6760 8.9380 117.1910 57.5696 33.9261 171.7420 15 L 4.9930 8.7221 120.7926 53.3893 44.2002 174.9106 16 I 4.6146 8.1260 127.1431 59.6184 39.1824 174.5689 17 V 4.7112 8.6049 127.3306 61.0584 33.9876 174.3059 18 V 4.7812 9.0399 129.1515 62.3596 32.1326 176.0589 19 T 4.4946 9.0856 118.4323 62.5396 70.4736 174.3161 20 Y 5.1100 7.8831 122.8873 56.0947 42.5695 173.1762 21 W 4.9046 8.3540 135.0000 55.5861 34.0202 173.4839 22 E 4.0932 7.4813 129.1939 53.7960 29.8827 173.4103 23 P 4.8611 0.0000 0.0000 62.7912 32.7761 175.3427 24 Y 4.5574 9.1701 125.6483 57.9069 39.5856 175.2091 25 V 4.2844 8.2086 126.9090 60.1965 33.9206 173.1836 26 P 4.5536 0.0000 0.0000 62.1961 31.9842 176.3268 27 A 4.2274 8.5131 124.0531 52.0978 19.6974 176.7696 28 K 4.0547 7.7337 121.7128 55.2397 32.7549 177.5555 29 V 4.2301 8.3067 119.7651 61.4711 34.2934 176.4664 30 S 4.2386 7.8451 113.3406 58.7417 63.8531 174.7825 31 G 3.8480 8.4952 109.5564 43.9384 0.0000 171.1664 32 P 4.4827 0.0000 0.0000 61.6317 32.0660 176.1302 33 P 4.3418 0.0000 0.0000 65.7841 31.3441 178.4318 34 E 3.9024 8.1846 117.4512 58.6751 29.3565 176.9603 35 Y 4.6701 7.6477 113.9965 58.0074 38.9564 175.7105 36 C 4.6017 7.7493 118.0290 60.0921 29.2853 172.4703 37 Y 4.9951 7.7572 116.7730 55.4113 41.0845 172.3802 38 P 4.8702 0.0000 0.0000 62.1930 32.6637 175.6674 39 A 4.3728 8.5450 121.9256 52.4140 19.2020 176.5988 40 E 4.4770 8.4675 118.3271 55.4085 33.7440 177.6099 41 G 3.4851 8.5467 108.3453 47.1891 0.0000 174.1106 42 G 4.0899 9.6336 107.0857 46.2363 0.0000 172.5798 43 C 4.4751 5.7800 111.9874 56.7436 32.8232 172.5708 44 G 4.0521 7.6111 106.3698 46.0434 0.0000 171.6798 45 E 4.9661 8.9327 122.3041 54.3151 33.2383 175.7553 46 W 5.9013 8.2176 121.7454 55.2394 31.9129 173.6869 47 E 4.7817 9.5010 119.1432 54.5774 33.7001 175.0111 48 V 4.3412 8.4513 122.5640 62.8079 32.4864 175.2718 49 R 4.8558 9.0804 126.0240 54.0652 35.0599 174.7078 50 D 5.1067 8.6553 121.0612 52.4693 40.5303 177.4471 51 R 3.9580 8.4725 114.8152 58.5635 29.4010 177.4487 52 R 4.2020 8.2254 116.1410 56.1064 30.4077 177.1036 53 G 3.9260 8.4341 106.9456 45.4560 0.0000 174.2576 54 R 4.2964 8.2056 118.9957 54.4520 30.9989 174.4317 55 P 4.4303 0.0000 0.0000 63.2369 32.3857 176.7647 56 A 2.7936 7.6692 122.1336 48.3455 18.7784 174.9366 57 P 4.1335 0.0000 0.0000 64.8814 31.4674 178.7569 58 W 4.2922 8.2146 115.3469 59.4586 28.1825 177.7091 59 L 4.1599 6.6866 118.9924 56.9538 41.3796 178.3550 60 E 3.8684 8.0409 119.4564 59.4944 29.2896 179.2596 61 R 4.0301 7.9455 116.2831 58.5394 30.2291 177.5802 62 K 4.3276 7.8368 115.5491 56.5674 32.6027 177.1696 63 L 4.1309 7.6209 120.5976 54.9483 42.1126 177.2389 64 T 4.6431 8.1688 113.0558 59.8631 72.6015 175.3236 65 E 3.9707 8.6879 120.4434 59.5716 29.4128 179.5498 66 A 4.0239 7.9804 120.2672 55.3167 18.4927 179.4186 67 E 4.0015 8.3061 117.1269 59.5263 29.4531 179.7791 68 R 4.3705 8.3927 118.3890 59.3354 30.1264 178.7240 69 E 4.0288 8.5173 119.2218 59.1861 29.6492 178.8011 70 R 3.8664 8.0993 118.7148 59.6914 30.1540 178.6644 71 I 3.5557 8.1437 119.9369 64.0573 36.8523 177.8997 72 D 4.6064 8.5676 120.4426 57.8572 40.6690 178.9654 73 Q 3.9861 8.0474 119.0763 58.9337 28.9541 177.9048 74 A 3.8216 7.8874 122.0796 54.9477 18.1454 179.8322 75 V 3.3091 7.8373 116.2753 65.8769 31.7025 177.5334 76 F 3.7758 8.0500 119.2461 61.5584 39.2835 176.5829 77 D 4.5525 8.1685 117.1689 57.1418 40.3014 178.8499 78 R 3.6415 7.4442 115.0394 57.2934 29.3433 177.2180 *80 E 4.1097 7.9597 114.2429 55.3491 31.0704 176.2246 81 G 3.8611 7.3400 110.4428 45.1064 0.0000 175.2341 82 R 4.1877 8.1857 116.9473 56.2833 30.4632 171.0703 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 L 8.18 4.53 0.00 1.67 1.85 1.08 0.51 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 3 A 7.69 4.59 1.22 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 0.00 0.00 0.00 4 E 8.55 5.34 0.00 1.70 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 0.00 2.11 1.85 0.00 5 F 8.57 5.05 0.00 3.06 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 6 E 8.85 4.57 0.00 1.78 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 2.23 1.88 0.00 7 D 8.63 4.61 0.00 2.70 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 8 R 8.53 5.07 0.00 1.77 1.75 0.00 3.20 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 9 V 8.55 4.29 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 1.14 0.00 0.00 0.94 0.00 0.00 10 A 10.02 3.85 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 11 G 8.51 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 12 I 7.62 4.33 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.70 1.01 0.00 0.00 13 P 0.00 4.88 0.00 1.96 2.01 0.00 3.73 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 2.05 2.11 0.00 14 C 8.94 4.68 0.00 3.08 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 15 L 8.72 4.99 0.00 1.80 1.46 0.88 1.52 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 16 I 8.13 4.61 0.56 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.24 0.48 0.00 0.00 17 V 8.60 4.71 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 1.06 0.00 0.00 0.90 0.00 0.00 18 V 9.04 4.78 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 1.14 0.00 0.00 1.06 0.00 0.00 19 T 9.09 4.49 4.33 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 1.33 0.00 0.00 20 Y 7.88 5.11 0.00 3.07 2.89 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 0.00 0.00 0.00 21 W 8.35 4.90 0.00 3.30 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 22 E 7.48 4.09 0.00 1.70 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 2.15 2.14 0.00 23 P 0.00 4.86 0.00 2.12 2.05 0.00 3.58 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 24 Y 9.17 4.56 0.00 3.05 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 25 V 8.21 4.28 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 0.91 0.00 0.00 0.86 0.00 0.00 26 P 0.00 4.55 0.00 2.00 2.06 0.00 3.74 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 2.10 2.28 0.00 27 A 8.51 4.23 1.25 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 0.00 0.00 0.00 28 K 7.73 4.05 0.00 0.90 0.74 0.00 1.32 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.26 1.20 7.81 29 V 8.31 4.23 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 0.79 0.00 0.00 0.90 0.00 0.00 30 S 7.85 4.24 0.00 3.96 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 31 G 8.50 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 0.00 0.00 0.00 32 P 0.00 4.48 0.00 2.41 2.12 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.16 0.00 33 P 0.00 4.34 0.00 2.21 2.31 0.00 3.72 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 2.06 1.99 0.00 34 E 8.18 3.90 0.00 1.59 1.66 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 2.17 2.29 0.00 35 Y 7.65 4.67 0.00 3.00 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 36 C 7.75 4.60 0.00 3.03 2.87 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 37 Y 7.76 5.00 0.00 3.02 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 38 P 0.00 4.87 0.00 2.14 2.14 0.00 3.93 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 2.04 2.02 0.00 39 A 8.54 4.37 1.18 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 0.00 0.00 0.00 0.00 0.00 40 E 8.47 4.48 0.00 1.78 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 2.17 2.19 0.00 41 G 8.55 3.49 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 0.00 42 G 9.63 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 C 5.78 4.48 0.00 3.06 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 44 G 7.61 4.05 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 0.00 0.00 0.00 45 E 8.93 4.97 0.00 2.23 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 2.22 2.29 0.00 46 W 8.22 5.90 0.00 3.48 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 47 E 9.50 4.78 0.00 1.90 1.80 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 2.14 2.22 0.00 48 V 8.45 4.34 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 0.68 0.00 0.00 1.16 0.00 0.00 49 R 9.08 4.86 0.00 1.61 1.74 0.00 3.59 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 50 D 8.66 5.11 0.00 3.12 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 51 R 8.47 3.96 0.00 1.96 2.14 0.00 3.05 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 52 R 8.23 4.20 0.00 1.98 2.03 0.00 3.26 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 53 G 8.43 3.93 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 0.00 0.00 0.00 54 R 8.21 4.30 0.00 2.30 1.93 0.00 3.21 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 55 P 0.00 4.43 0.00 2.05 1.95 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 56 A 7.67 2.79 0.19 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 0.00 0.00 57 P 0.00 4.13 0.00 2.35 2.34 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.08 0.00 58 W 8.21 4.29 0.00 3.42 3.36 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 59 L 6.69 4.16 0.00 1.36 1.58 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.04 3.87 0.00 1.86 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 2.23 2.42 0.00 61 R 7.95 4.03 0.00 1.90 2.02 0.00 3.26 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 62 K 7.84 4.33 0.00 1.93 1.89 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.70 7.81 63 L 7.62 4.13 0.00 1.82 1.69 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 64 T 8.17 4.64 4.27 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 1.24 0.00 0.00 65 E 8.69 3.97 0.00 2.02 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 0.00 2.42 2.35 0.00 66 A 7.98 4.02 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 67 E 8.31 4.00 0.00 2.22 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 2.36 2.53 0.00 68 R 8.39 4.37 0.00 2.12 2.22 0.00 3.34 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.96 0.00 69 E 8.52 4.03 0.00 2.10 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 2.33 2.35 0.00 70 R 8.10 3.87 0.00 1.94 2.05 0.00 3.13 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 1.60 1.66 0.00 71 I 8.14 3.56 1.38 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.46 -0.58 0.00 0.00 72 D 8.57 4.61 0.00 3.03 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 73 Q 8.05 3.99 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 74 A 7.89 3.82 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 75 V 7.84 3.31 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 0.74 0.00 0.00 0.78 0.00 0.00 76 F 8.05 3.78 0.00 3.26 3.21 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 77 D 8.17 4.55 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.44 3.64 0.00 1.09 1.51 0.00 2.92 0.00 0.00 2.86 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.43 0.00 *80 E 7.96 4.11 0.00 1.65 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 0.00 1.62 1.47 0.00 81 G 7.34 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 0.00 0.00 0.00 82 R 8.19 4.19 0.00 1.79 1.64 0.00 3.30 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 1.43 1.14 0.00 * Residues marked with a * may have inaccurate shift predictions.