NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4192 8.1927 115.4110 57.5027 64.7523 173.8946 2 E 3.6223 8.7226 120.3885 58.8030 28.9540 177.1816 3 L 3.9206 8.6698 121.3205 58.2253 42.6219 177.8766 4 D 4.3362 8.3742 118.8857 57.4982 39.2730 178.7945 5 A 3.9572 7.9343 120.4957 55.2280 18.2412 179.6154 6 K 4.1723 7.7381 115.4051 58.8635 32.4545 179.0241 7 L 4.1334 8.1789 121.5369 57.9426 42.0342 178.5593 8 N 4.8041 8.7781 118.2718 55.5830 38.2688 177.0813 9 K 4.2781 7.3935 117.7015 58.0727 32.2193 178.3126 10 L 4.3788 7.6171 118.6358 54.7464 42.0069 177.3641 11 G 4.0603 8.2694 106.6256 45.0218 0.0000 173.2532 12 V 4.1862 7.7738 120.2400 60.8356 32.8226 174.5874 13 D 5.2602 8.4121 125.6105 51.7859 42.1367 175.4137 14 R 4.6190 7.8990 116.0708 55.5503 31.3251 175.6156 15 I 4.2231 8.4269 118.5200 61.1266 39.1305 176.5980 16 A 5.0782 8.4290 126.9575 50.9979 20.2546 174.6821 17 I 4.5596 8.9277 121.4547 59.7065 40.6269 174.4550 18 S 5.0724 8.6137 119.9600 55.4164 64.7160 171.5287 19 P 4.8311 0.0000 0.0000 63.5582 31.9635 175.0757 20 Y 5.1211 7.2880 115.3243 56.8803 41.0059 175.7477 21 K 3.9126 8.3802 123.7391 57.1619 32.8302 176.2208 22 Q 3.9632 8.9742 132.8214 56.8613 28.7256 173.9318 23 W 4.6861 7.5346 115.8615 56.9541 29.6861 175.9689 24 T 4.5195 8.5135 112.5121 60.9835 69.7409 173.4604 25 R 4.6479 8.1092 117.6766 55.1553 32.7834 174.0617 26 G 4.1211 9.0383 106.7728 43.4635 0.0000 172.6383 27 Y 4.4185 8.3688 120.9528 59.6542 38.9425 176.3202 28 M 3.1012 8.5105 126.1693 55.0220 30.1250 177.0266 29 E 4.0437 8.0168 119.1775 55.2283 30.1386 174.8534 30 P 4.2078 0.0000 0.0000 64.2799 31.7539 176.7666 31 G 3.9528 8.8255 108.7547 45.2298 0.0000 173.3764 32 N 4.4864 7.3161 116.4587 52.8696 39.4054 174.5751 33 I 4.0848 8.4232 123.7921 60.4263 38.1805 174.7564 34 G 4.1911 8.2892 110.2350 44.4242 0.0000 172.9212 35 N 5.1289 8.8390 113.6639 52.8500 40.2060 174.5087 36 G 4.2601 8.0899 109.2501 44.0667 0.0000 171.9826 37 Y 4.9256 7.5496 115.5152 55.5221 40.9757 174.0358 38 V 4.4351 8.3384 119.1425 61.2989 34.1308 174.2158 39 T 4.6435 8.1680 120.2504 60.7037 70.3388 171.3520 40 G 4.0915 7.8146 109.4622 45.1744 0.0000 171.9493 41 L 4.7416 8.3813 118.4111 52.6013 44.3982 176.3226 42 K 4.5724 8.5123 123.5148 54.6745 35.0203 175.6924 43 V 4.4712 8.2430 118.5348 60.0237 35.2205 174.1339 44 D 4.6930 8.4095 122.5193 53.4812 44.7375 174.0805 45 A 4.7131 8.0724 122.7361 51.3738 22.3126 175.7145 46 G 4.1418 8.1806 108.2353 45.7496 0.0000 174.0539 47 V 4.0711 8.0895 116.7456 61.0651 32.0817 178.2227 *64 R 4.3197 8.2503 118.9753 56.3824 31.6060 176.7820 65 A 4.2243 7.3975 121.6319 53.4544 19.5078 179.5259 66 E 3.7689 7.9198 115.7558 59.5457 29.5573 179.5034 67 T 4.0275 7.9085 106.9150 62.8574 68.9950 173.5114 68 K 4.4471 8.3237 124.0485 55.9222 35.2870 177.8043 69 N 4.0085 9.2768 122.6921 54.3017 37.3727 176.5302 70 A 4.2497 5.8000 127.4628 52.1815 19.4869 177.9189 71 Y 4.3407 8.6858 125.4160 57.2371 39.6910 175.7322 72 I 4.5065 7.8030 122.5179 59.8712 37.7993 175.4670 73 G 2.7639 5.9730 108.0017 46.0936 0.0000 172.3923 74 Q 3.4240 8.1338 115.6453 56.7913 26.3355 173.9323 75 I 4.2572 7.5113 116.2693 59.7406 39.1527 175.7074 76 N 4.6238 8.3465 121.1373 52.0081 38.2394 174.7922 77 M 4.2433 8.3000 123.4152 55.1696 33.1661 175.5594 78 T 4.5537 8.1481 120.8762 61.9173 71.2599 173.9342 79 T 4.1780 8.4832 123.3444 62.9064 69.4436 173.9999 80 A 4.7939 8.3696 127.6444 50.2833 21.8848 176.1965 81 S 4.2395 8.4773 115.4150 58.4754 63.2784 173.9010 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 S 8.19 4.42 0.00 4.01 4.08 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 0.00 0.00 0.00 0.00 2 E 8.72 3.62 0.00 2.09 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 2.39 2.36 0.00 3 L 8.67 3.92 0.00 1.78 1.63 0.91 1.25 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 4 D 8.37 4.34 0.00 2.80 2.70 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 0.00 0.00 0.00 5 A 7.93 3.96 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 6 K 7.74 4.17 0.00 1.88 1.87 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.58 7.81 7 L 8.18 4.13 0.00 1.99 1.70 0.90 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.78 4.80 0.00 2.75 2.84 0.00 0.00 6.73 8.28 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 9 K 7.39 4.28 0.00 1.81 1.86 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.64 7.81 10 L 7.62 4.38 0.00 1.78 1.71 0.94 0.74 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 11 G 8.27 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.77 4.19 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 0.98 0.00 0.00 0.91 0.00 0.00 13 D 8.41 5.26 0.00 2.75 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 14 R 7.90 4.62 0.00 1.69 1.79 0.00 3.11 0.00 0.00 3.13 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.56 0.00 15 I 8.43 4.22 1.95 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 1.16 0.86 0.92 0.00 0.00 16 A 8.43 5.08 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 17 I 8.93 4.56 1.88 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 1.12 1.29 0.92 0.00 0.00 18 S 8.61 5.07 0.00 3.80 3.72 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 19 P 0.00 4.83 0.00 2.26 2.11 0.00 3.52 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 1.76 2.07 0.00 20 Y 7.29 5.12 0.00 2.95 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 21 K 8.38 3.91 0.00 1.53 1.34 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.21 1.27 7.81 22 Q 8.97 3.96 0.00 2.03 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 23 W 7.53 4.69 0.00 3.74 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 24 T 8.51 4.52 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 25 R 8.11 4.65 0.00 2.13 1.95 0.00 2.42 0.00 0.00 2.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.68 0.00 26 G 9.04 4.12 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 0.00 0.00 0.00 27 Y 8.37 4.42 0.00 2.88 2.92 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 28 M 8.51 3.10 0.00 1.95 2.23 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.83 0.00 29 E 8.02 4.04 0.00 2.09 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.24 0.00 30 P 0.00 4.21 0.00 2.17 2.04 0.00 3.73 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 1.99 1.97 0.00 31 G 8.83 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 32 N 7.32 4.49 0.00 2.80 2.76 0.00 0.00 6.91 7.33 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 33 I 8.42 4.08 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 1.23 0.80 0.91 0.00 0.00 34 G 8.29 4.19 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 0.00 35 N 8.84 5.13 0.00 2.85 2.81 0.00 0.00 6.56 7.65 0.00 0.00 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 G 8.09 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 0.00 0.00 0.00 0.00 37 Y 7.55 4.93 0.00 2.75 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.34 4.44 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 0.97 0.00 0.00 39 T 8.17 4.64 4.19 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 1.23 0.00 0.00 40 G 7.81 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 0.00 0.00 0.00 41 L 8.38 4.74 0.00 1.57 1.55 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.51 4.57 0.00 1.64 1.61 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.38 7.81 43 V 8.24 4.47 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 0.78 0.00 0.00 0.93 0.00 0.00 44 D 8.41 4.69 0.00 2.61 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.07 4.71 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 46 G 8.18 4.14 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 0.00 0.00 0.00 47 V 8.09 4.07 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 0.80 0.00 0.00 0.93 0.00 0.00 *64 R 8.25 4.32 0.00 1.82 2.05 0.00 3.22 0.00 0.00 3.15 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 65 A 7.40 4.22 1.24 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 0.00 0.00 0.00 66 E 7.92 3.77 0.00 1.88 1.88 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 2.25 2.30 0.00 67 T 7.91 4.03 4.34 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 1.22 0.00 0.00 68 K 8.32 4.45 0.00 1.80 1.75 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.46 7.81 69 N 9.28 4.01 0.00 3.10 2.49 0.00 0.00 6.93 7.35 0.00 0.00 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 A 5.80 4.25 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 71 Y 8.69 4.34 0.00 2.88 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 7.80 4.51 1.78 0.00 0.00 0.80 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 0.71 0.89 0.00 0.00 73 G 5.97 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 0.00 0.00 0.00 74 Q 8.13 3.42 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 75 I 7.51 4.26 1.94 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 0.37 0.85 0.00 0.00 76 N 8.35 4.62 0.00 2.66 2.76 0.00 0.00 6.93 7.66 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 77 M 8.30 4.24 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 78 T 8.15 4.55 4.23 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 1.21 0.00 0.00 79 T 8.48 4.18 4.23 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 1.20 0.00 0.00 80 A 8.37 4.79 1.17 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 0.00 0.00 0.00 81 S 8.48 4.24 0.00 3.92 3.77 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 * Residues marked with a * may have inaccurate shift predictions.