NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3506 8.3044 120.3230 55.0609 33.3286 177.7468 2 V 4.1258 7.0730 134.0375 61.4359 33.6202 171.2530 3 K 4.8201 8.8285 128.2015 55.2560 34.0484 175.7317 4 V 4.2924 9.0052 125.2852 61.1721 33.4246 174.3766 5 K 5.2418 8.6512 127.5530 55.2547 33.6454 175.7029 6 F 4.9774 8.9663 117.9185 55.9281 41.7338 172.5327 7 K 5.2613 8.8291 121.5257 55.0527 33.7292 174.7371 8 Y 4.6661 8.7025 128.4997 56.7061 41.6466 174.9900 9 K 3.5361 8.9861 126.8458 57.5506 29.5240 177.8267 10 G 4.0276 8.2381 106.9878 45.8838 0.0000 173.8570 11 E 4.2877 7.8203 121.5571 55.4879 31.0134 175.0613 12 E 4.6575 8.6393 127.7462 55.6875 30.8112 175.3122 13 K 4.6008 9.2943 125.9816 54.5298 36.9127 174.6269 14 E 5.2235 8.2706 121.3657 54.8342 32.6417 174.6206 15 V 4.5006 9.0227 125.6795 59.9395 35.4516 174.0867 16 D 4.9493 8.5446 122.3427 53.5889 42.1739 177.4039 17 T 3.7590 8.6280 116.7139 64.2323 68.7764 176.2301 18 S 4.2558 8.0412 115.8526 60.0680 63.3890 174.9352 19 K 4.3400 8.0353 119.9793 56.4229 32.5268 176.1136 20 I 4.4002 7.2449 121.0071 61.2764 37.2355 175.9174 21 K 4.3158 9.1473 126.5201 58.6566 32.6484 177.5576 22 K 4.8800 8.0371 119.6175 54.7736 36.0596 175.0331 23 V 5.1808 8.5141 124.2042 61.3176 34.9016 174.1050 24 W 5.1737 8.7131 121.9062 55.6731 31.7698 172.8786 25 R 4.8528 8.7427 121.4313 55.0600 31.5811 176.4534 26 V 4.3771 8.7955 125.4309 61.4569 33.0881 176.3801 27 G 3.9221 8.1050 119.1112 46.6934 0.0000 172.3392 28 K 4.5102 8.6830 124.8899 56.1071 32.3258 174.6820 29 M 4.9357 7.9202 120.1813 53.8630 34.8836 174.9359 30 V 4.6514 8.6154 125.1662 61.5187 33.7642 174.6989 31 S 4.7286 8.0646 124.6511 57.1469 65.5745 173.1571 32 F 4.9404 6.9930 115.7030 56.5574 41.5264 172.6529 33 T 5.2643 8.9446 109.0160 60.2105 72.2232 172.4030 34 Y 5.3156 8.0720 120.1911 55.3840 42.5018 173.8028 35 D 4.8000 9.1526 120.4467 53.3127 41.0642 176.1617 36 D 4.8054 8.6016 131.7703 54.0744 41.4230 176.2074 37 N 3.9964 9.0081 115.7412 53.5802 36.3346 172.0902 38 G 4.2949 9.2306 117.6834 45.1938 0.0000 171.9244 39 K 4.1415 7.4879 118.9954 55.9678 33.7022 175.9859 40 T 4.4749 8.3451 118.7632 63.2206 69.3164 174.8248 41 G 3.2699 8.6290 114.2254 44.8201 0.0000 172.4500 42 R 4.8512 7.5462 117.8778 54.3503 33.8534 175.0879 43 G 3.2715 7.6514 107.2972 45.5585 0.0000 171.7428 44 A 5.3114 7.4963 119.4434 51.6621 22.0206 175.9655 45 V 4.6334 8.1189 112.5877 59.3628 36.9902 174.6856 46 S 4.4574 8.5532 116.4975 58.0616 62.9008 174.6649 47 E 3.9790 8.7416 127.1499 59.1232 29.5119 178.3605 48 K 4.1606 7.9898 116.4894 58.2649 32.4399 177.0822 49 D 4.6731 8.2128 117.1537 53.8083 41.0946 175.7756 50 A 4.5088 7.6065 123.3118 49.7253 20.2638 175.8486 51 P 4.3850 0.0000 0.0000 62.1023 32.4187 177.0747 52 K 3.7127 8.8563 121.3455 60.1604 31.9144 178.2699 53 E 3.8528 8.2155 118.6665 59.4170 29.4513 178.5413 54 L 3.9058 8.1092 120.3560 57.9563 42.1340 178.9082 55 L 4.0471 7.7870 118.4707 57.6065 41.5611 179.0274 56 D 4.3708 8.2045 119.3409 57.5340 40.7562 178.6280 57 M 4.0824 7.9154 118.8078 58.0681 31.8600 178.6476 58 L 3.9707 7.9360 120.3944 57.9491 42.0794 178.7356 59 A 4.0044 7.7445 119.6561 55.4603 18.3423 179.6718 60 R 4.0084 8.2505 116.1643 59.0721 29.8284 179.2106 61 A 4.0542 7.7956 120.5837 55.1295 18.1989 179.4214 62 E 4.0253 8.3030 115.7730 58.7318 29.6013 178.8058 63 R 4.2774 7.3612 116.3407 56.1043 31.0069 176.7440 64 E 4.0542 7.2565 118.4987 56.6682 30.0340 176.3624 65 K 4.5423 7.8055 119.7097 55.9170 35.9231 176.3843 66 K 4.2102 8.6885 117.2035 57.2188 31.5623 176.2468 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 M 8.30 4.35 0.00 2.00 1.73 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 2 V 7.07 4.13 2.02 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 0.98 0.00 0.00 0.95 0.00 0.00 3 K 8.83 4.82 0.00 1.63 1.70 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.45 1.61 7.81 4 V 9.01 4.29 1.86 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 0.90 0.00 0.00 0.65 0.00 0.00 5 K 8.65 5.24 0.00 1.72 1.86 0.00 2.06 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.42 7.81 6 F 8.97 4.98 0.00 3.12 3.16 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 0.00 0.00 0.00 0.00 7 K 8.83 5.26 0.00 1.80 1.78 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.69 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.45 7.81 8 Y 8.70 4.67 0.00 3.10 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.99 3.54 0.00 1.94 1.76 0.00 1.43 0.00 0.00 1.39 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.68 1.28 7.81 10 G 8.24 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 0.00 0.00 0.00 11 E 7.82 4.29 0.00 2.09 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 2.23 2.22 0.00 12 E 8.64 4.66 0.00 1.96 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 2.32 0.00 13 K 9.29 4.60 0.00 0.79 1.18 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.19 0.97 7.81 14 E 8.27 5.22 0.00 1.86 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 15 V 9.02 4.50 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 0.63 0.00 0.00 0.52 0.00 0.00 16 D 8.54 4.95 0.00 2.74 2.53 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 0.00 0.00 0.00 17 T 8.63 3.76 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 1.13 0.00 0.00 18 S 8.04 4.26 0.00 4.03 4.02 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 19 K 8.04 4.34 0.00 1.96 1.98 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.41 1.57 7.81 20 I 7.24 4.40 1.96 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.30 0.92 0.00 0.00 21 K 9.15 4.32 0.00 1.71 1.92 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.47 7.81 22 K 8.04 4.88 0.00 1.92 1.88 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.43 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.89 1.57 7.81 23 V 8.51 5.18 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 0.86 0.00 0.00 0.95 0.00 0.00 24 W 8.71 5.17 0.00 3.39 3.22 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 25 R 8.74 4.85 0.00 1.88 1.92 0.00 3.21 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 26 V 8.80 4.38 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 1.01 0.00 0.00 1.16 0.00 0.00 27 G 8.10 3.92 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 0.00 0.00 0.00 28 K 8.68 4.51 0.00 1.83 1.83 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.42 7.81 29 M 7.92 4.94 0.00 2.28 1.89 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 30 V 8.62 4.65 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 0.89 0.00 0.00 0.91 0.00 0.00 31 S 8.06 4.73 0.00 2.72 2.69 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 32 F 6.99 4.94 0.00 3.01 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 33 T 8.94 5.26 4.31 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 1.39 0.00 0.00 34 Y 8.07 5.32 0.00 3.18 3.12 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 35 D 9.15 4.80 0.00 2.78 2.76 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 36 D 8.60 4.81 0.00 2.47 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 37 N 9.01 4.00 0.00 2.91 2.86 0.00 0.00 7.49 8.00 0.00 0.00 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 G 9.23 4.29 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 0.00 39 K 7.49 4.14 0.00 1.93 1.94 0.00 1.50 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.44 7.81 40 T 8.35 4.47 4.18 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 1.12 0.00 0.00 41 G 8.63 3.27 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 0.00 42 R 7.55 4.85 0.00 1.20 1.39 0.00 3.32 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 43 G 7.65 3.27 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 0.00 44 A 7.50 5.31 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.12 4.63 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 0.92 0.00 0.00 0.97 0.00 0.00 46 S 8.55 4.46 0.00 3.92 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 47 E 8.74 3.98 0.00 2.25 1.98 0.00 0.00 0.00 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 2.29 0.00 48 K 7.99 4.16 0.00 1.79 1.85 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.40 7.81 49 D 8.21 4.67 0.00 2.77 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 50 A 7.61 4.51 1.19 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 51 P 0.00 4.38 0.00 2.18 2.15 0.00 3.65 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 1.98 1.88 0.00 52 K 8.86 3.71 0.00 1.82 1.86 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.52 7.81 53 E 8.22 3.85 0.00 2.03 1.89 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 2.31 2.33 0.00 54 L 8.11 3.91 0.00 1.62 1.67 0.60 0.35 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 55 L 7.79 4.05 0.00 1.86 1.68 0.91 1.10 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 56 D 8.20 4.37 0.00 2.91 2.69 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 57 M 7.92 4.08 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.51 0.00 58 L 7.94 3.97 0.00 1.78 1.84 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.74 4.00 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 60 R 8.25 4.01 0.00 1.97 2.00 0.00 3.13 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 61 A 7.80 4.05 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 62 E 8.30 4.03 0.00 2.11 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 0.00 2.39 2.67 0.00 63 R 7.36 4.28 0.00 1.91 1.98 0.00 3.19 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 64 E 7.26 4.05 0.00 2.11 1.91 0.00 0.00 0.00 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 2.40 0.00 65 K 7.81 4.54 0.00 1.79 1.77 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.43 7.81 66 K 8.69 4.21 0.00 1.96 1.92 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.36 7.81