NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3533 0.0000 0.0000 62.0288 31.3730 175.8988 2 P 4.4313 0.0000 0.0000 62.3794 32.4717 174.6578 3 I 4.5108 7.5722 118.1757 60.7129 42.2760 176.2363 4 S 3.6447 8.6832 115.4609 58.2378 60.3848 171.8994 5 L 4.7559 7.2056 114.8588 54.7847 41.6330 172.3163 6 D 4.6962 7.9670 121.6001 55.8280 47.3800 177.1008 7 L 4.6974 7.7721 117.1577 54.9047 42.3616 176.3479 8 T 4.4346 7.6820 112.1089 64.3277 69.2659 176.8822 *10 H 4.1546 8.1700 120.4068 55.8727 30.9261 175.7760 11 L 4.0373 8.8930 120.0019 56.7773 42.0834 177.3697 12 L 4.7901 7.6751 120.5467 52.3335 40.9640 177.0847 13 R 5.3451 7.1633 126.8055 57.5992 28.9180 175.8338 14 E 4.1923 7.9960 118.6213 58.6795 29.9140 178.7206 15 V 3.7849 7.1862 115.9156 64.7532 31.7547 176.6907 16 L 4.2839 7.7555 117.6403 56.1882 41.9031 177.0517 17 E 4.0768 7.5249 115.9075 57.4134 29.5931 177.0784 *19 A 4.3182 7.7760 120.8756 51.5356 20.3228 177.0226 20 R 4.4112 8.0667 114.6109 57.2155 32.6982 176.7953 21 A 4.4103 7.7381 118.9065 52.9674 19.7274 178.4685 22 E 4.0860 8.2347 115.9611 58.2032 29.8432 176.9373 23 Q 4.7528 7.4161 116.4836 55.4131 29.1081 174.8581 24 L 4.6611 7.5223 114.0514 56.1215 42.6289 174.3690 25 A 4.6882 7.6001 119.1800 51.5364 19.4302 176.5147 26 Q 4.4540 7.5953 131.8608 56.7468 33.0890 175.2751 27 Q 4.1105 7.5393 118.2988 58.9015 29.2464 177.3747 28 E 3.9168 8.2851 119.9532 59.6087 29.0310 178.4393 29 H 4.2264 8.0110 115.4367 58.4014 28.5498 177.0025 30 S 4.4417 8.0702 113.6340 59.3865 63.0924 175.0884 31 K 4.2700 7.6569 123.1012 58.3062 32.7183 177.7968 32 R 3.9246 7.3380 116.6705 58.8075 31.1550 177.3164 33 K 3.7960 7.9024 113.1657 57.4856 28.6399 176.3691 34 L 4.0910 7.5998 116.7687 56.4853 42.5477 178.3465 *36 E 4.1888 7.8675 118.4464 55.0425 31.2570 173.8380 37 I 3.2738 7.4810 123.3573 60.3893 37.0461 173.9642 38 I 3.9908 8.1616 121.0534 61.7615 37.0700 176.1085 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 P 0.00 4.35 0.00 2.19 2.17 0.00 3.73 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 1.96 0.00 2 P 0.00 4.43 0.00 2.28 2.10 0.00 3.70 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 2.04 0.00 3 I 7.57 4.51 1.87 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 1.30 0.53 0.91 0.00 0.00 4 S 8.68 3.64 0.00 3.99 3.90 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 5 L 7.21 4.76 0.00 1.71 1.63 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 6 D 7.97 4.70 0.00 2.57 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.77 4.70 0.00 1.61 1.57 0.88 0.63 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 8 T 7.68 4.43 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 1.22 0.00 0.00 *10 H 8.17 4.15 0.00 3.25 3.41 0.00 5.81 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.89 4.04 0.00 1.66 1.72 0.93 0.52 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 12 L 7.68 4.79 0.00 1.63 1.65 0.93 0.87 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 13 R 7.16 5.35 0.00 1.95 2.05 0.00 2.97 0.00 0.00 3.10 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.54 0.00 14 E 8.00 4.19 0.00 2.19 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 0.00 2.29 2.43 0.00 15 V 7.19 3.78 2.26 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 0.75 0.00 0.00 0.94 0.00 0.00 16 L 7.76 4.28 0.00 1.67 1.70 0.95 0.91 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 17 E 7.52 4.08 0.00 2.26 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 2.38 0.00 *19 A 7.78 4.32 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 20 R 8.07 4.41 0.00 1.77 1.94 0.00 3.36 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 21 A 7.74 4.41 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 22 E 8.23 4.09 0.00 1.94 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 2.29 2.30 0.00 23 Q 7.42 4.75 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.51 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 24 L 7.52 4.66 0.00 1.74 1.72 0.92 0.65 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 25 A 7.60 4.69 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 Q 7.60 4.45 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.83 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 27 Q 7.54 4.11 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.64 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 28 E 8.29 3.92 0.00 2.05 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 2.38 2.35 0.00 29 H 8.01 4.23 0.00 3.55 3.36 0.00 5.86 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.07 4.44 0.00 4.03 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 31 K 7.66 4.27 0.00 1.78 2.08 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.60 7.81 32 R 7.34 3.92 0.00 1.99 1.97 0.00 3.47 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 33 K 7.90 3.80 0.00 1.91 1.89 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.44 7.81 34 L 7.60 4.09 0.00 1.63 1.72 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 *36 E 7.87 4.19 0.00 1.96 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 2.19 2.35 0.00 37 I 7.48 3.27 1.87 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 0.81 0.91 0.00 0.00 38 I 8.16 3.99 1.87 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 1.27 0.75 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.