NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.1262 0.0000 0.0000 63.1116 32.2100 172.9532 3 K 3.4909 8.8573 130.1615 55.1746 29.9955 173.3744 4 M 4.2080 9.2335 126.7642 55.4855 33.5294 175.8284 5 K 4.6394 8.2457 120.1935 54.7233 34.5000 176.3228 6 T 4.2729 8.2028 112.6064 61.0243 69.8585 173.9528 7 H 4.2172 8.7400 125.1562 55.9675 29.6510 176.1131 8 K 4.2108 8.5609 127.9273 58.9672 31.7168 179.2080 9 G 3.7311 7.8267 104.3602 46.6475 0.0000 175.2451 10 A 4.2232 7.9830 123.3312 54.9133 18.6956 179.1455 11 K 3.8649 8.1622 116.2997 59.9245 32.1983 178.1814 12 K 4.3120 7.7732 116.1112 57.6331 32.1908 177.5655 13 R 4.6681 8.4380 113.1610 55.1550 31.3056 174.7810 14 V 4.8180 7.5496 116.9829 60.1079 35.0664 174.7210 15 K 4.5942 8.7630 121.6536 54.9118 35.9205 174.4426 16 I 4.7808 8.2977 127.6500 59.5308 39.0473 175.6997 17 T 4.1615 8.9045 120.7970 61.1240 69.7854 174.6641 18 A 4.0764 8.3524 123.0533 55.0428 18.6180 179.0418 19 S 4.1483 7.9417 110.4268 59.8018 63.7037 173.9855 20 G 3.7079 7.6666 107.5467 46.0687 0.0000 173.6019 21 K 4.4193 7.9857 117.1880 54.1502 35.7809 177.5587 22 V 4.2377 8.0947 124.3473 62.4612 33.1228 174.7424 23 V 5.2918 9.1320 126.7170 60.2592 34.9634 173.9563 24 A 4.9381 8.3188 126.7782 50.6522 23.1106 174.9433 25 M 4.5766 8.4234 118.7565 54.5642 32.6691 177.1541 26 K 4.2349 8.7298 122.5984 56.9465 32.8756 176.7144 27 T 4.4182 8.3190 113.7656 61.2125 70.5954 174.3685 28 G 4.3081 9.6718 110.8958 45.4005 0.0000 174.7178 29 K 4.6081 7.7513 117.1113 55.3247 32.1763 176.2164 30 R 4.4252 7.8933 119.3193 58.1769 31.1703 175.5517 31 H 4.7154 7.8339 109.6892 56.4017 29.7368 174.7234 32 L 4.2127 8.7719 121.9756 58.6031 42.0518 176.6826 33 N 3.9311 7.0472 113.5747 50.7758 39.4818 170.7328 34 W 3.7301 7.8361 132.7698 56.4380 28.5017 173.6770 35 Q 3.6477 6.9749 122.1334 55.9630 29.2542 175.8157 36 K 4.5993 7.4679 115.4707 53.7635 35.0099 177.3917 37 S 4.3878 8.5488 118.3307 58.0841 64.9545 175.6754 38 G 3.5832 8.5016 109.4556 47.7869 0.0000 175.5758 39 K 3.8031 8.1189 121.5620 60.3457 31.8295 177.5025 40 E 4.0283 7.9262 117.1685 58.3453 29.2175 178.5213 41 I 3.8149 7.7385 122.6546 64.9281 38.0037 178.1592 42 R 4.0910 8.6697 119.3960 59.5006 29.7210 179.7004 43 Q 4.5522 8.2276 113.7878 55.4458 29.2538 177.1697 44 K 4.5263 8.3489 122.7208 54.4778 32.8489 176.3390 45 G 3.9337 8.7326 111.3553 45.9301 0.0000 172.0665 46 R 5.1715 9.1402 116.9962 54.7605 35.6713 174.2661 47 K 4.5014 8.4303 118.3714 56.0424 36.1237 175.5560 48 F 5.3640 8.5216 124.1927 57.5345 38.7440 175.9095 49 V 4.6467 7.5681 123.5187 62.3469 34.2432 170.2800 50 L 4.6700 7.9392 124.5689 54.1204 45.4793 175.9966 51 A 5.1208 8.8769 130.9507 53.6915 17.6440 180.2580 52 K 4.1269 7.6575 114.2168 58.2677 32.1561 177.1810 53 P 4.4214 0.0000 0.0000 64.5599 31.6532 178.2191 54 E 3.9231 7.7184 118.3990 59.3731 29.4320 178.6060 55 A 4.0143 7.9439 118.7601 54.9543 18.5237 178.9853 56 E 3.9463 7.9178 117.8628 59.5132 29.8903 178.7793 57 R 3.8031 8.6160 119.3633 59.5816 29.7909 178.4144 58 I 3.7502 7.4247 118.1319 63.6873 37.3487 177.6575 59 K 4.2418 8.2339 118.5722 56.9610 32.6211 177.1415 60 L 4.5967 7.4273 120.7194 52.9369 41.0400 176.7448 61 L 3.5799 7.3523 116.0700 60.4604 41.2499 178.8432 62 L 4.3993 8.2110 117.2327 56.3952 42.5116 177.6507 63 P 4.2272 0.0000 0.0000 64.2358 31.1498 176.1159 64 Y 2.9159 7.6098 116.5565 59.5953 37.9464 171.7282 *65 E 4.1515 8.5436 114.9298 56.9470 30.5285 171.3304 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 4.13 0.00 2.20 2.15 0.00 3.87 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 3 K 8.86 3.49 0.00 1.99 1.90 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.53 7.81 4 M 9.23 4.21 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 5 K 8.25 4.64 0.00 1.73 1.71 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.40 7.81 6 T 8.20 4.27 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 7 H 8.74 4.22 0.00 3.22 3.26 0.00 5.59 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.56 4.21 0.00 1.83 1.82 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.56 7.81 9 G 7.83 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.98 4.22 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.16 3.86 0.00 1.78 1.90 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.58 7.81 12 K 7.77 4.31 0.00 1.74 1.85 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.65 7.81 13 R 8.44 4.67 0.00 1.80 1.96 0.00 3.02 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.56 0.00 14 V 7.55 4.82 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 0.82 0.00 0.00 0.97 0.00 0.00 15 K 8.76 4.59 0.00 1.83 1.63 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.38 7.81 16 I 8.30 4.78 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.94 0.90 0.00 0.00 17 T 8.90 4.16 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 1.26 0.00 0.00 18 A 8.35 4.08 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 19 S 7.94 4.15 0.00 3.78 3.88 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 0.00 0.00 0.00 20 G 7.67 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.99 4.42 0.00 1.34 0.97 0.00 1.30 0.00 0.00 0.61 0.00 0.00 2.66 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.89 1.08 7.81 22 V 8.09 4.24 2.03 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 0.92 0.00 0.00 0.94 0.00 0.00 23 V 9.13 5.29 2.24 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 1.27 0.00 0.00 1.05 0.00 0.00 24 A 8.32 4.94 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.42 4.58 0.00 1.93 2.02 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 2.62 2.37 0.00 26 K 8.73 4.23 0.00 1.64 1.75 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.54 7.81 27 T 8.32 4.42 4.26 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 1.22 0.00 0.00 28 G 9.67 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 0.00 0.00 0.00 0.00 29 K 7.75 4.61 0.00 1.85 1.85 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.45 7.81 30 R 7.89 4.43 0.00 1.80 1.98 0.00 3.44 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 31 H 7.83 4.72 0.00 3.26 3.27 0.00 5.57 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.77 4.21 0.00 1.71 1.83 0.93 1.17 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 33 N 7.05 3.93 0.00 2.82 2.76 0.00 0.00 6.94 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 W 7.84 3.73 0.00 3.29 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 35 Q 6.97 3.65 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.46 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 36 K 7.47 4.60 0.00 1.72 1.76 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.19 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.37 7.81 37 S 8.55 4.39 0.00 4.00 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 38 G 8.50 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 3.80 0.00 1.81 1.82 0.00 1.71 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.63 1.54 7.81 40 E 7.93 4.03 0.00 2.26 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 0.00 2.33 2.32 0.00 41 I 7.74 3.81 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.73 0.92 0.00 0.00 42 R 8.67 4.09 0.00 1.92 2.15 0.00 3.09 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 1.62 1.67 0.00 43 Q 8.23 4.55 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 44 K 8.35 4.53 0.00 1.86 1.76 0.00 1.53 0.00 0.00 1.92 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.40 7.81 45 G 8.73 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 46 R 9.14 5.17 0.00 1.66 1.84 0.00 3.26 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 47 K 8.43 4.50 0.00 1.76 1.87 0.00 1.35 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.47 7.81 48 F 8.52 5.36 0.00 2.97 2.85 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 49 V 7.57 4.65 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 0.62 0.00 0.00 0.99 0.00 0.00 50 L 7.94 4.67 0.00 1.58 1.51 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.88 5.12 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 52 K 7.66 4.13 0.00 1.86 1.86 0.00 1.55 0.00 0.00 1.87 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.54 7.81 53 P 0.00 4.42 0.00 2.20 2.26 0.00 3.65 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.33 0.00 54 E 7.72 3.92 0.00 2.19 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 2.29 2.32 0.00 55 A 7.94 4.01 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 56 E 7.92 3.95 0.00 2.12 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 2.28 2.32 0.00 57 R 8.62 3.80 0.00 2.01 1.85 0.00 3.05 0.00 0.00 3.07 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 58 I 7.42 3.75 2.01 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.85 0.89 0.00 0.00 59 K 8.23 4.24 0.00 1.92 1.84 0.00 1.46 0.00 0.00 1.57 0.00 0.00 3.14 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.44 7.81 60 L 7.43 4.60 0.00 1.70 1.63 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.35 3.58 0.00 1.78 1.66 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.21 4.40 0.00 1.79 1.81 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.23 0.00 2.21 2.25 0.00 3.85 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 64 Y 7.61 2.92 0.00 3.09 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 *65 E 8.54 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.