NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 A 4.3221 8.2649 123.5815 51.4719 20.7238 177.2200 14 R 3.9371 7.7770 114.8927 54.5276 30.7005 174.0376 15 P 4.2545 0.0000 0.0000 62.8654 32.8195 175.3596 16 L 4.3998 8.2340 123.8808 52.6936 42.8244 174.6357 17 P 4.3740 0.0000 0.0000 63.4941 31.4816 175.9755 18 Q 4.5457 8.5400 117.3933 55.6340 30.8334 175.9683 19 D 4.8307 7.7190 118.8424 51.8482 42.2207 176.5753 20 F 3.9900 8.8825 124.2137 61.7909 39.3250 177.3815 21 E 3.9134 8.3075 117.2331 59.8966 29.3147 179.4475 22 T 3.8175 8.2583 115.3695 66.3989 68.3952 176.6906 23 A 3.8766 7.8674 122.7238 54.9215 18.3265 179.3888 24 L 3.5862 7.6501 118.7243 58.2645 42.2294 179.0079 25 A 4.0748 7.7331 120.6569 55.1524 18.2606 179.2812 26 E 3.8296 8.5012 118.2429 59.2091 29.6800 178.5243 27 L 3.9056 8.1278 120.7982 58.2508 41.9502 179.0046 28 E 3.8762 8.4421 118.6045 59.5954 29.5041 179.0202 29 S 4.0610 7.8799 112.9546 61.4085 62.0405 175.9038 30 L 4.0755 7.4357 121.3928 57.4756 42.0542 178.5620 31 V 3.7258 7.7830 117.6940 66.0521 31.5987 177.6302 32 S 4.2675 8.4827 113.0922 61.1507 61.5627 175.8884 33 A 4.3727 7.7422 120.6824 52.8332 17.6330 178.7166 *35 E 4.3489 8.1126 119.8123 57.5356 31.5415 176.7305 36 N 4.2624 7.6785 118.0541 54.6308 39.2848 176.6582 37 G 4.0376 7.9285 106.1506 45.6342 0.0000 175.0802 38 T 4.0551 7.3913 109.3289 63.4551 68.8600 174.6449 39 L 4.1773 7.2346 122.1993 53.6314 42.3158 175.8271 40 P 4.4349 0.0000 0.0000 62.1025 33.2951 177.2548 41 L 3.9059 8.4053 121.0758 58.5609 42.0535 178.9432 42 E 3.9308 8.1464 118.5364 59.4182 29.5271 178.5847 43 Q 4.0146 8.0332 117.5083 59.0837 28.7825 178.6172 44 S 4.1489 8.2709 116.2633 61.7137 62.8186 176.9887 45 L 4.0187 8.1183 121.4445 57.7967 41.4384 179.2157 46 S 4.0851 8.1707 112.8748 61.5941 62.1950 176.0252 47 A 4.0051 8.2566 123.3865 55.3683 18.0041 178.9750 48 Y 3.9671 8.2417 118.0347 60.9867 38.7804 178.5409 49 R 3.7777 8.3240 119.1450 59.1379 30.0682 179.0976 50 R 3.9404 8.1960 118.7053 59.3604 30.0271 178.8664 51 G 3.4583 8.2572 105.8931 47.6695 0.0000 175.8045 52 V 3.4020 7.6003 120.6486 65.7998 31.5225 178.0596 53 E 3.9781 7.7857 118.3906 59.2053 29.3464 179.2258 54 L 3.9600 8.1418 119.1050 57.6875 41.5636 179.4360 55 A 3.9950 8.2850 121.1378 54.9449 18.2651 179.6402 56 R 3.8030 8.0234 117.4317 59.4513 30.0847 178.9354 57 V 3.5820 7.6482 117.5415 66.1413 31.5704 177.6350 58 C 4.3430 8.0803 116.3335 63.2555 28.1605 175.9815 59 Q 4.0812 8.3770 119.6377 59.3649 28.3978 179.2238 60 D 4.3646 8.2237 119.6025 57.4784 40.9373 179.0292 61 R 3.9815 8.2768 118.6795 59.2927 30.0669 179.1841 62 L 3.8895 8.1375 118.5998 57.3811 41.4451 179.4666 63 A 3.9725 7.9647 120.7386 55.0859 18.3005 179.4728 64 Q 3.9052 7.9601 116.1893 59.2761 28.8542 179.2256 65 A 3.9279 7.9666 121.4924 55.0233 18.3533 179.2455 66 E 3.7974 8.2334 117.7863 59.3806 29.8533 178.7610 67 Q 3.9094 8.2942 119.7883 59.3916 29.1089 178.2677 68 Q 3.9869 8.1989 119.0653 59.0678 28.7563 179.1385 69 V 3.5725 7.7352 119.1080 65.9783 31.4993 178.2473 70 K 4.3259 8.0058 119.6153 58.7341 31.8466 179.5949 71 V 3.5422 7.6721 118.0774 66.1305 31.4879 178.1189 72 L 4.1117 8.0497 118.7389 57.7157 41.0579 179.5163 73 E 4.0208 8.7538 119.1273 59.2613 29.2301 179.3078 74 G 3.8345 8.5185 108.6003 48.9007 0.0000 176.1013 75 D 4.4101 8.3654 123.0121 57.4475 39.8218 180.0643 76 L 4.2661 7.9310 120.2498 58.4622 42.3304 178.9074 77 L 4.0981 8.0734 117.7114 55.8977 41.8623 177.6335 78 R 4.6439 6.6240 116.9703 53.9906 32.8686 173.8991 79 P 4.3971 0.0000 0.0000 62.0718 30.8479 175.6788 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 13 A 8.26 4.32 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 14 R 7.78 3.94 0.00 1.89 1.87 0.00 3.22 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 15 P 0.00 4.25 0.00 2.03 1.99 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 16 L 8.23 4.40 0.00 1.56 1.56 0.89 0.93 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 17 P 0.00 4.37 0.00 2.18 2.03 0.00 3.74 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 1.95 2.12 0.00 18 Q 8.54 4.55 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.25 0.00 19 D 7.72 4.83 0.00 2.91 2.81 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 20 F 8.88 3.99 0.00 3.16 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 21 E 8.31 3.91 0.00 2.19 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 2.40 1.98 0.00 22 T 8.26 3.82 4.30 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 1.18 0.00 0.00 23 A 7.87 3.88 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 24 L 7.65 3.59 0.00 0.92 1.26 0.74 1.42 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 25 A 7.73 4.07 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 26 E 8.50 3.83 0.00 1.98 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 0.00 2.26 2.28 0.00 27 L 8.13 3.91 0.00 1.78 1.83 0.91 0.89 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 28 E 8.44 3.88 0.00 2.14 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 0.00 2.30 2.40 0.00 29 S 7.88 4.06 0.00 3.97 4.03 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 0.00 0.00 0.00 30 L 7.44 4.08 0.00 1.77 1.89 0.90 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.78 3.73 2.15 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 0.86 0.00 0.00 0.96 0.00 0.00 32 S 8.48 4.27 0.00 3.90 4.04 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 0.00 0.00 0.00 33 A 7.74 4.37 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 *35 E 8.11 4.35 0.00 2.12 2.15 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 2.36 2.31 0.00 36 N 7.68 4.26 0.00 2.92 3.15 0.00 0.00 7.00 8.02 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 37 G 7.93 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.39 4.06 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 39 L 7.23 4.18 0.00 1.72 1.65 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.43 0.00 2.15 1.97 0.00 3.79 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 41 L 8.41 3.91 0.00 1.74 1.66 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.15 3.93 0.00 2.17 1.93 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 2.38 1.98 0.00 43 Q 8.03 4.01 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.64 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 44 S 8.27 4.15 0.00 4.05 3.94 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 45 L 8.12 4.02 0.00 1.86 1.75 0.91 0.57 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 46 S 8.17 4.09 0.00 3.92 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 47 A 8.26 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.24 3.97 0.00 3.10 3.18 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 49 R 8.32 3.78 0.00 2.09 1.96 0.00 3.21 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.93 0.00 50 R 8.20 3.94 0.00 1.98 2.11 0.00 3.11 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 51 G 8.26 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 52 V 7.60 3.40 1.93 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 0.91 0.00 0.00 0.25 0.00 0.00 53 E 7.79 3.98 0.00 2.11 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 0.00 2.45 2.46 0.00 54 L 8.14 3.96 0.00 1.74 1.64 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.28 3.99 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 R 8.02 3.80 0.00 2.02 2.09 0.00 3.09 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 1.62 1.63 0.00 57 V 7.65 3.58 2.22 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 1.05 0.00 0.00 1.07 0.00 0.00 58 C 8.08 4.34 0.00 3.19 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 59 Q 8.38 4.08 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 60 D 8.22 4.36 0.00 2.93 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 61 R 8.28 3.98 0.00 1.97 2.02 0.00 3.52 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.05 0.00 62 L 8.14 3.89 0.00 1.69 1.64 1.01 -0.05 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 63 A 7.96 3.97 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 64 Q 7.96 3.91 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 65 A 7.97 3.93 1.30 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 0.00 0.00 66 E 8.23 3.80 0.00 2.27 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 0.00 2.31 2.19 0.00 67 Q 8.29 3.91 0.00 2.17 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 68 Q 8.20 3.99 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 69 V 7.74 3.57 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 1.00 0.00 0.00 0.93 0.00 0.00 70 K 8.01 4.33 0.00 2.00 1.83 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.40 7.81 71 V 7.67 3.54 2.22 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 0.94 0.00 0.00 0.96 0.00 0.00 72 L 8.05 4.11 0.00 1.85 1.70 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.75 4.02 0.00 2.21 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 2.32 0.00 74 G 8.52 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 0.00 0.00 0.00 75 D 8.37 4.41 0.00 2.74 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 76 L 7.93 4.27 0.00 1.72 1.91 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.07 4.10 0.00 1.77 1.73 0.92 0.83 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 78 R 6.62 4.64 0.00 1.73 1.79 0.00 3.19 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 79 P 0.00 4.40 0.00 2.05 1.92 0.00 3.70 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 2.02 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.