NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4282 0.0000 0.0000 62.4974 31.4531 174.7803 3 R 4.4288 8.2561 123.2165 53.7016 33.0091 173.6145 4 S 4.8203 9.0599 116.6638 56.2489 66.5140 172.5692 5 L 4.7111 8.4671 129.8969 56.2020 44.9328 174.5405 6 K 4.1709 8.9190 118.1764 55.1540 28.2279 177.2767 7 K 4.1202 8.9873 124.2008 60.3274 34.3436 176.0177 8 G 3.4833 8.9937 117.0558 44.7926 0.0000 172.7447 9 V 3.4982 7.4928 117.2244 63.3460 32.8111 176.4135 10 F 4.3538 8.9119 127.6361 57.4621 40.0221 174.9364 11 V 4.7717 8.2062 123.1091 61.2887 34.3176 174.2961 12 D 4.5083 8.9090 127.9396 54.4401 41.5191 176.8663 13 D 4.4830 8.4513 121.7468 55.3073 39.4770 178.2364 14 H 4.1389 7.8615 118.5942 58.9126 28.5975 176.3918 15 L 4.2542 7.8171 119.5782 57.2143 41.5821 177.8763 16 L 3.4651 7.5611 121.3766 57.8273 41.7260 178.6228 17 E 4.2578 7.9880 116.4940 58.4871 30.1619 178.0722 18 K 4.1583 7.4029 118.4059 57.5214 32.3162 178.3800 19 V 3.9284 8.6609 120.7455 64.7370 32.0502 178.2401 20 L 4.0095 7.4376 119.9866 58.2898 40.1169 178.8430 21 E 3.5399 8.6629 119.8614 58.8837 29.1656 178.4925 22 L 4.2405 7.3292 116.3775 55.5080 42.0061 178.1295 23 N 4.5418 8.7282 117.9756 55.8265 38.8762 176.5105 24 A 4.1723 8.0176 120.5170 53.9787 18.8325 178.2577 25 K 4.8408 7.9613 119.9738 56.1486 32.2584 180.0699 26 G 3.9629 8.8479 116.1751 46.3223 0.0000 176.4455 27 E 4.6116 8.8324 122.7349 54.5446 31.1555 173.9840 28 K 4.1409 8.7280 124.4255 56.9626 29.7263 178.6682 29 R 2.7718 6.6612 115.8986 53.3050 33.2202 175.9902 30 L 4.5685 7.6744 117.0196 53.9577 44.1370 177.5729 31 I 4.3636 7.9544 121.3406 59.6373 40.3077 174.0273 32 K 4.1191 8.5207 126.5498 56.7553 32.1292 176.6140 33 T 4.8447 8.5601 121.4613 61.5893 72.6398 174.9654 34 W 4.4709 9.0480 120.6308 56.4929 30.9677 176.5334 35 S 4.5907 8.0562 113.4444 57.2285 60.7293 173.7688 36 R 4.1633 8.6247 126.1657 58.9633 30.2950 179.4106 37 R 3.9193 8.2611 112.8001 58.9364 28.9654 176.6489 38 S 4.2949 7.9135 114.8459 58.6193 63.8229 174.0714 39 T 4.3268 8.3801 122.4917 63.1775 68.8778 174.5830 40 I 3.9087 8.2716 127.9474 61.4697 37.4491 176.1515 41 V 4.5022 8.0522 119.5389 58.7746 35.1149 174.2143 42 P 4.3108 0.0000 0.0000 65.9840 31.2180 178.9117 43 E 4.1812 8.2215 109.9234 57.3891 28.9598 177.0115 44 M 4.7864 8.4772 119.9084 55.4542 34.4192 176.0839 45 V 3.5433 7.7588 117.6322 64.6348 31.7677 176.2202 46 G 4.0776 8.4576 113.7837 45.9458 0.0000 173.0507 47 H 4.8762 8.1176 117.6352 55.1556 30.3647 174.4826 48 T 4.8145 7.9465 115.3688 62.6633 70.2939 172.1524 49 I 4.3401 8.1290 126.2492 60.0458 39.4407 174.5482 50 A 4.7259 8.9715 129.9006 51.0282 19.6383 176.0621 51 V 4.3966 8.8787 123.1433 62.4823 33.4029 174.6018 52 Y 4.8053 8.0439 129.1129 57.3503 39.1742 174.8346 53 N 4.6465 8.4197 122.4778 51.7851 38.3210 174.8890 54 G 3.6909 6.1300 106.2630 45.4883 0.0000 174.7130 55 K 4.3837 7.9395 118.0962 56.5401 34.4655 175.3821 56 Q 4.6887 7.3936 115.2400 54.9221 33.9307 173.7270 57 H 5.0527 8.8039 117.8890 54.6485 29.5955 174.7721 58 V 4.2871 9.2515 119.3687 59.3095 33.0369 174.6505 59 P 4.5622 0.0000 0.0000 63.4710 32.1757 177.0823 60 V 4.5214 7.9701 120.1254 61.4563 32.6674 171.0206 61 Y 4.4849 8.3746 123.8057 57.7369 39.6377 174.9283 62 I 3.7776 8.2754 128.1309 60.4839 39.2521 175.5309 63 T 4.2893 7.7942 119.4538 59.3901 71.0837 174.7753 64 E 3.7809 8.5650 121.8331 59.5930 29.4131 178.5656 65 N 4.5121 8.0040 114.3925 55.2105 37.7888 175.7829 66 M 4.3030 8.4190 119.2871 58.1979 32.5123 179.4603 67 V 2.6094 7.3973 110.7751 63.0961 33.2656 176.3539 68 G 3.9340 8.6958 110.7175 49.0360 0.0000 173.8962 69 H 4.6387 7.7725 115.7917 55.4299 29.5475 175.2369 70 K 4.6369 8.6462 120.8789 55.9164 32.9532 178.6036 71 L 4.2510 8.3992 121.1500 58.0419 41.2878 180.2217 72 G 3.7885 8.3134 105.0748 47.6575 0.0000 174.9013 73 E 4.0465 8.1037 118.8686 57.9763 29.4990 177.3290 74 F 4.5289 8.4986 116.0481 57.0033 40.4187 175.8488 75 A 4.6611 7.5169 123.8854 48.3947 18.5521 173.3665 76 P 4.3317 0.0000 0.0000 63.1173 31.9804 177.7557 77 T 4.0441 8.4153 110.3985 63.2478 69.4600 174.8348 78 R 4.5387 7.6520 119.6066 54.6076 32.4288 175.1022 79 T 4.5910 8.2321 114.6878 62.0957 71.1023 173.1914 80 Y 4.8076 7.9637 126.5083 55.7952 42.1764 174.7413 81 R 3.0908 5.9022 126.5299 56.2617 29.4510 176.2472 *82 G 3.7389 7.7722 111.0929 45.7139 0.0000 170.8213 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 P 0.00 4.43 0.00 2.20 2.18 0.00 3.67 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 1.88 2.00 0.00 3 R 8.26 4.43 0.00 1.87 1.86 0.00 3.17 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 4 S 9.06 4.82 0.00 3.79 3.74 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 5 L 8.47 4.71 0.00 1.73 1.78 0.99 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.92 4.17 0.00 1.86 2.03 0.00 1.88 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.31 7.81 7 K 8.99 4.12 0.00 1.84 1.78 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.34 1.43 7.81 8 G 8.99 3.48 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 9 V 7.49 3.50 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 0.82 0.00 0.00 0.90 0.00 0.00 10 F 8.91 4.35 0.00 3.04 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 11 V 8.21 4.77 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 1.07 0.00 0.00 12 D 8.91 4.51 0.00 2.79 2.33 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 13 D 8.45 4.48 0.00 2.90 2.90 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 14 H 7.86 4.14 0.00 3.25 3.45 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 15 L 7.82 4.25 0.00 1.91 1.93 1.02 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.56 3.47 0.00 1.92 1.74 0.92 0.79 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 17 E 7.99 4.26 0.00 2.22 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 2.62 2.31 0.00 18 K 7.40 4.16 0.00 1.70 2.04 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.33 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.45 7.81 19 V 8.66 3.93 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 0.89 0.00 0.00 0.93 0.00 0.00 20 L 7.44 4.01 0.00 2.01 1.97 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.66 3.54 0.00 2.06 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 0.00 2.34 2.56 0.00 22 L 7.33 4.24 0.00 1.78 1.74 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.73 4.54 0.00 2.87 2.88 0.00 0.00 6.86 5.12 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 24 A 8.02 4.17 1.31 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 0.00 0.00 0.00 0.00 0.00 25 K 7.96 4.84 0.00 1.80 0.84 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.56 7.81 26 G 8.85 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 0.00 0.00 0.00 27 E 8.83 4.61 0.00 1.92 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 2.22 2.23 0.00 28 K 8.73 4.14 0.00 1.72 1.76 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.43 7.81 29 R 6.66 2.77 0.00 1.84 1.77 0.00 3.26 0.00 0.00 3.21 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 30 L 7.67 4.57 0.00 1.55 1.54 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.95 4.36 1.83 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 1.47 0.78 0.88 0.00 0.00 32 K 8.52 4.12 0.00 1.49 1.30 0.00 1.15 0.00 0.00 1.38 0.00 0.00 2.64 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.29 7.81 33 T 8.56 4.84 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 1.33 0.00 0.00 34 W 9.05 4.47 0.00 3.39 3.09 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 35 S 8.06 4.59 0.00 4.03 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 36 R 8.62 4.16 0.00 2.00 2.02 0.00 3.31 0.00 0.00 3.45 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.73 0.00 37 R 8.26 3.92 0.00 1.95 2.15 0.00 3.08 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 38 S 7.91 4.29 0.00 3.91 4.12 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 39 T 8.38 4.33 4.28 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 1.29 0.00 0.00 40 I 8.27 3.91 2.21 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.67 0.82 0.00 0.00 41 V 8.05 4.50 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 0.77 0.00 0.00 0.92 0.00 0.00 42 P 0.00 4.31 0.00 2.16 2.09 0.00 3.58 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 2.10 2.11 0.00 43 E 8.22 4.18 0.00 2.08 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 0.00 2.27 2.28 0.00 44 M 8.48 4.79 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.43 0.00 45 V 7.76 3.54 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 0.71 0.00 0.00 0.91 0.00 0.00 46 G 8.46 4.08 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 0.00 0.00 0.00 47 H 8.12 4.88 0.00 3.46 3.25 0.00 5.58 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.95 4.81 4.55 0.00 0.00 0.00 0.00 0.00 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 49 I 8.13 4.34 1.85 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 1.24 1.03 0.95 0.00 0.00 50 A 8.97 4.73 1.17 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 0.00 0.00 0.00 0.00 0.00 51 V 8.88 4.40 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 0.96 0.00 0.00 0.97 0.00 0.00 52 Y 8.04 4.81 0.00 2.58 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.42 4.65 0.00 2.79 2.79 0.00 0.00 7.12 7.50 0.00 0.00 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 G 6.13 3.69 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 0.00 0.00 0.00 55 K 7.94 4.38 0.00 1.52 1.74 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.37 7.81 56 Q 7.39 4.69 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 57 H 8.80 5.05 0.00 3.00 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 9.25 4.29 2.10 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 0.69 0.00 0.00 0.99 0.00 0.00 59 P 0.00 4.56 0.00 2.10 2.07 0.00 3.79 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 60 V 7.97 4.52 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 0.67 0.00 0.00 1.05 0.00 0.00 61 Y 8.37 4.48 0.00 2.91 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 62 I 8.28 3.78 1.68 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.94 0.94 0.00 0.00 63 T 7.79 4.29 4.10 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 0.89 0.00 0.00 64 E 8.56 3.78 0.00 2.02 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 2.37 2.37 0.00 65 N 8.00 4.51 0.00 2.89 2.95 0.00 0.00 6.05 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 66 M 8.42 4.30 0.00 1.70 2.11 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.28 0.00 67 V 7.40 2.61 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 0.75 0.00 0.00 0.98 0.00 0.00 68 G 8.70 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 69 H 7.77 4.64 0.00 3.68 3.78 0.00 5.62 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.65 4.64 0.00 1.98 1.81 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.52 1.67 7.81 71 L 8.40 4.25 0.00 1.95 1.79 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.31 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 0.00 0.00 0.00 73 E 8.10 4.05 0.00 2.15 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 2.28 2.39 0.00 74 F 8.50 4.53 0.00 3.08 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 A 7.52 4.66 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 76 P 0.00 4.33 0.00 2.16 2.04 0.00 3.82 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 1.98 1.95 0.00 77 T 8.42 4.04 4.21 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 1.19 0.00 0.00 78 R 7.65 4.54 0.00 1.80 1.92 0.00 3.14 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 79 T 8.23 4.59 4.25 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 1.21 0.00 0.00 80 Y 7.96 4.81 0.00 2.83 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 81 R 5.90 3.09 0.00 0.67 0.66 0.00 3.23 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.41 0.00 *82 G 7.77 3.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.