NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *20 M 4.4225 8.3044 118.7933 53.8827 33.4375 175.6919 21 K 3.6670 8.3094 122.1736 55.0744 32.5681 174.8548 22 T 4.3461 8.8102 115.3365 60.9515 71.0243 172.6278 23 E 5.0724 6.9065 120.1763 54.8605 34.0939 175.2478 24 W 5.2021 9.3427 119.6789 53.1937 29.6195 174.6848 25 P 4.3206 0.0000 0.0000 65.5058 31.6630 178.9798 26 E 4.2129 8.2639 115.8360 57.9103 30.0438 177.8288 27 L 4.4317 8.1392 119.6597 55.3364 42.3408 176.8495 28 V 3.9023 7.3386 119.5306 64.2087 31.7414 176.1724 29 G 3.9894 9.1253 116.3105 45.2566 0.0000 173.7723 30 K 4.3536 7.8222 119.5517 55.1386 33.3842 176.5645 31 S 4.7692 8.5085 116.8331 57.8435 64.8656 175.6861 32 V 3.6293 8.4057 123.6405 64.9208 31.0119 178.6713 33 E 3.8786 8.0411 118.8613 59.2781 29.3583 178.6820 34 E 3.8744 8.2907 119.1057 59.0741 29.6077 178.5117 35 A 3.8700 8.0074 120.8166 55.2039 18.4170 179.7325 36 K 3.7240 8.0999 116.9492 59.2965 32.2161 179.4786 37 K 3.8466 7.8695 119.7814 59.4740 32.2465 179.0633 38 V 3.5614 7.8441 118.5290 66.1272 31.4204 177.9785 39 I 3.1144 7.6038 119.7620 64.2179 36.7571 178.3969 40 L 4.1964 7.9819 119.2919 57.2397 41.1430 179.5656 41 Q 4.0171 7.6007 117.5684 59.0235 28.7719 177.8193 42 D 4.7704 8.0077 118.5933 55.7683 42.5751 177.0311 43 K 4.6901 8.4262 120.4073 53.8921 32.4689 174.4559 44 P 4.5814 0.0000 0.0000 63.9633 31.8395 177.2318 45 A 4.4485 7.8565 118.5560 51.5931 19.1309 176.7171 46 A 4.2422 7.8053 119.3958 53.0043 19.3449 178.3610 47 Q 4.3405 9.2926 121.5943 54.7048 29.7076 174.4531 48 I 4.6735 8.0613 125.1369 59.8832 38.7958 175.2610 49 I 4.4209 8.2569 126.8306 59.0614 40.9047 173.9673 50 V 4.5562 8.2998 129.1472 61.6744 32.5596 174.7952 51 L 4.8999 8.5402 126.8905 52.1118 46.6407 174.0640 52 P 4.9527 0.0000 0.0000 62.0854 32.4587 176.8167 53 V 3.9544 8.6974 124.6467 63.2009 31.8169 176.4911 54 G 3.8183 8.7685 109.5843 46.0498 0.0000 173.2187 55 T 4.5140 7.2000 108.5239 59.9435 70.8683 173.7047 56 I 4.4988 7.9756 121.9187 59.7684 39.0824 175.6588 57 V 4.6561 7.9101 115.8325 59.2209 35.6793 175.5008 58 T 4.0824 8.4277 111.2566 62.5487 69.0391 174.2200 59 M 4.6981 8.3330 122.4370 54.9460 32.7965 176.0299 60 E 4.3348 8.1060 115.2466 55.3080 31.4540 175.1154 61 A 4.7192 8.3584 122.9810 50.5732 20.6029 176.6589 62 R 4.5459 8.8124 123.0529 54.3505 31.9926 176.6337 63 I 4.0400 8.4302 116.9213 62.2404 38.2799 176.3531 64 D 4.5921 8.0149 120.2964 53.9443 40.3409 175.3686 65 R 4.9804 7.8396 121.7634 54.8348 32.6776 175.0603 66 V 4.7583 8.5004 124.9246 61.1454 34.2102 174.6523 67 R 4.4621 8.6971 127.3637 55.7843 31.2721 176.1315 68 L 4.5527 8.6533 123.4650 53.0632 44.3089 175.4412 69 F 5.0222 8.7403 123.5873 56.3455 40.5953 175.4671 70 V 5.0412 8.7239 117.6462 59.4750 35.0996 176.1020 71 D 4.8012 8.7989 123.9297 52.3088 40.8981 177.0563 72 R 4.1040 8.4487 114.3431 58.1994 29.4773 176.9489 73 L 4.3846 8.0498 117.7589 54.2544 42.1823 176.1001 74 D 4.5052 8.1576 118.2232 55.4486 38.5259 173.1068 75 N 5.3106 7.9955 115.1673 51.3142 40.7946 174.6788 76 I 4.0488 8.7307 122.7603 61.6350 37.5318 176.7236 77 A 4.7195 8.9826 126.9579 51.9281 20.1147 175.7561 78 Q 4.5365 7.6772 115.1950 53.8481 32.1527 173.9813 79 V 3.8088 8.3796 123.6467 62.6139 32.0787 173.9532 80 P 4.6970 0.0000 0.0000 63.0571 32.3915 175.6716 81 R 5.3864 8.5465 121.1256 54.3921 34.4176 175.1152 82 V 4.0072 9.0306 123.0034 62.5260 32.5772 176.4000 83 G 3.5192 8.6036 115.0425 45.5761 0.0000 172.5838 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 *20 M 8.30 4.42 0.00 1.77 1.91 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 21 K 8.31 3.67 0.00 1.63 1.59 0.00 1.50 0.00 0.00 1.79 0.00 0.00 2.33 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.30 0.87 7.81 22 T 8.81 4.35 4.17 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 1.20 0.00 0.00 23 E 6.91 5.07 0.00 1.75 1.79 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 2.14 2.17 0.00 24 W 9.34 5.20 0.00 3.35 2.97 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 25 P 0.00 4.32 0.00 2.24 2.34 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.95 0.00 26 E 8.26 4.21 0.00 2.19 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 0.00 2.47 2.36 0.00 27 L 8.14 4.43 0.00 1.96 1.76 0.76 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.34 3.90 2.12 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 0.82 0.00 0.00 1.01 0.00 0.00 29 G 9.13 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 0.00 0.00 0.00 30 K 7.82 4.35 0.00 1.90 1.74 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.53 7.81 31 S 8.51 4.77 0.00 4.26 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 32 V 8.41 3.63 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 0.78 0.00 0.00 0.87 0.00 0.00 33 E 8.04 3.88 0.00 2.05 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 2.38 2.40 0.00 34 E 8.29 3.87 0.00 2.03 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 2.29 2.31 0.00 35 A 8.01 3.87 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 36 K 8.10 3.72 0.00 1.88 1.79 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.50 7.81 37 K 7.87 3.85 0.00 1.81 1.90 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.42 7.81 38 V 7.84 3.56 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 1.04 0.00 0.00 0.96 0.00 0.00 39 I 7.60 3.11 1.51 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.39 0.00 0.00 40 L 7.98 4.20 0.00 1.69 1.68 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.60 4.02 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 42 D 8.01 4.77 0.00 3.23 3.04 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 43 K 8.43 4.69 0.00 1.95 1.83 0.00 1.87 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.49 7.81 44 P 0.00 4.58 0.00 2.09 2.11 0.00 3.80 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 2.04 2.19 0.00 45 A 7.86 4.45 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 46 A 7.81 4.24 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 47 Q 9.29 4.34 0.00 1.92 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.54 0.00 48 I 8.06 4.67 1.78 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.42 0.83 0.00 0.00 49 I 8.26 4.42 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.39 0.80 0.00 0.00 50 V 8.30 4.56 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 0.79 0.00 0.00 0.85 0.00 0.00 51 L 8.54 4.90 0.00 1.05 1.44 0.71 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.95 0.00 2.13 2.00 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 53 V 8.70 3.95 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 0.75 0.00 0.00 0.92 0.00 0.00 54 G 8.77 3.82 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 0.00 0.00 0.00 55 T 7.20 4.51 4.32 0.00 0.00 0.00 0.00 0.00 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 56 I 7.98 4.50 1.89 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 1.41 0.62 0.92 0.00 0.00 57 V 7.91 4.66 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 1.01 0.00 0.00 1.08 0.00 0.00 58 T 8.43 4.08 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 1.23 0.00 0.00 59 M 8.33 4.70 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.61 0.00 60 E 8.11 4.33 0.00 2.08 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 2.25 2.25 0.00 61 A 8.36 4.72 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 62 R 8.81 4.55 0.00 1.80 2.03 0.00 3.30 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 63 I 8.43 4.04 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.54 0.93 0.00 0.00 64 D 8.01 4.59 0.00 2.85 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 65 R 7.84 4.98 0.00 1.93 1.96 0.00 3.01 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 66 V 8.50 4.76 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 0.86 0.00 0.00 0.95 0.00 0.00 67 R 8.70 4.46 0.00 1.66 1.20 0.00 3.32 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 68 L 8.65 4.55 0.00 1.38 1.48 0.80 0.85 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 69 F 8.74 5.02 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.72 5.04 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 0.77 0.00 0.00 1.04 0.00 0.00 71 D 8.80 4.80 0.00 2.91 2.86 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 72 R 8.45 4.10 0.00 1.95 2.11 0.00 3.02 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 73 L 8.05 4.38 0.00 1.81 1.74 0.93 0.90 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 74 D 8.16 4.51 0.00 2.97 2.77 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 75 N 8.00 5.31 0.00 3.04 2.72 0.00 0.00 7.02 7.32 0.00 0.00 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 I 8.73 4.05 2.08 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 1.39 0.99 0.98 0.00 0.00 77 A 8.98 4.72 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 78 Q 7.68 4.54 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 79 V 8.38 3.81 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 0.95 0.00 0.00 0.97 0.00 0.00 80 P 0.00 4.70 0.00 2.34 1.97 0.00 4.01 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 81 R 8.55 5.39 0.00 1.75 1.86 0.00 3.26 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 82 V 9.03 4.01 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 0.83 0.00 0.00 1.20 0.00 0.00 83 G 8.60 3.52 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.