NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3448 8.1744 110.9431 61.7030 70.3967 173.5327 6 N 4.7304 8.0627 118.4366 52.3927 39.1971 172.9051 7 S 4.5321 8.0586 112.2771 57.1403 65.9056 172.0902 8 D 4.8986 8.4862 120.1112 54.3502 42.3732 174.3344 9 F 5.3627 7.9534 115.4580 55.3944 41.4912 173.9063 10 V 4.5644 8.8216 112.1041 59.5418 35.4515 174.8307 11 V 4.8095 8.7076 124.0244 61.3291 33.8518 174.3965 12 I 4.9039 9.2044 128.4417 59.3386 40.5949 174.1653 13 K 4.9953 8.9294 128.4768 54.1508 34.4521 175.0806 14 A 4.3332 8.7413 130.6169 52.5195 19.0670 177.4086 15 L 4.6562 9.0302 122.2318 54.7296 42.6190 175.7438 16 E 4.7498 7.6952 115.7709 54.8680 32.7119 174.4733 17 D 4.3624 8.5596 119.8115 55.2368 41.5699 177.2083 18 G 3.8559 8.7564 108.9150 45.5939 0.0000 173.9792 19 V 3.8684 7.5188 119.9657 62.9786 32.8141 174.4911 20 N 5.3156 9.0250 124.8298 51.4953 41.3657 173.6385 21 V 4.5004 8.8907 124.7085 61.4507 33.4169 174.2440 22 I 4.6724 8.9140 129.9543 59.3875 39.6582 175.0308 23 G 4.1368 8.9138 115.0369 45.1372 0.0000 172.4214 24 L 5.4453 8.8447 125.7629 53.0879 43.8571 176.3252 25 T 4.5254 8.7480 114.7249 61.9023 69.2342 174.1809 26 R 4.2904 7.8111 125.8074 56.6835 31.5101 175.0838 27 G 3.7469 8.9198 109.6905 43.8826 0.0000 173.8522 28 A 3.7911 8.6144 121.5173 54.5262 18.5471 177.6841 29 D 4.7039 7.2985 113.6021 53.2350 42.2718 175.5116 30 T 4.7731 8.3601 122.7610 61.9576 70.8197 173.2464 31 R 4.5690 8.6536 121.9923 54.7375 33.7068 174.0146 32 F 5.2703 8.4862 118.8687 57.8779 39.0136 175.4128 33 H 4.9551 8.9651 118.5002 56.4513 30.5544 174.3810 34 H 4.7840 7.7571 117.8949 54.9374 33.3603 171.8350 35 S 4.9266 8.4025 120.1133 56.4578 64.3917 172.3170 36 E 4.4843 9.1398 129.3256 54.5764 31.1290 174.4417 37 K 4.8170 8.6015 128.7195 55.6646 33.5778 175.4943 38 L 4.9381 9.1959 127.2620 53.1991 44.9833 176.2142 39 D 5.1112 9.2275 124.0117 52.1742 43.7217 175.8115 40 K 4.1942 8.6433 121.5314 58.2395 32.2921 177.0261 41 G 4.0148 9.1594 115.5974 45.2678 0.0000 173.5422 42 E 4.2760 7.9820 119.5843 56.2146 30.8894 176.0024 43 V 4.9080 8.2652 121.8223 61.0361 34.3781 174.1644 44 L 4.7685 9.0523 129.9889 53.2676 44.6662 174.8008 45 I 5.0405 8.4247 126.0336 59.5231 39.6230 174.7334 46 A 4.6759 9.0260 128.8594 50.1616 21.9721 175.4311 47 Q 4.7529 8.6985 121.3044 55.2552 30.2145 175.8867 48 F 4.7615 8.4896 120.6016 57.9856 39.0184 175.1359 49 T 4.7021 9.0005 111.5323 60.1158 71.9680 174.0050 50 E 4.1580 8.9177 121.4101 59.2897 29.7242 177.1278 51 H 4.6291 7.8349 114.4805 56.1127 29.8838 174.2061 52 T 5.3891 8.3436 116.0369 60.8049 71.3687 174.2468 53 S 5.0619 8.8941 119.8615 57.9125 64.7685 173.1849 54 A 5.0105 7.8514 120.8290 51.4037 22.4967 175.4466 55 I 4.9681 8.5213 120.4501 59.4146 40.8740 174.6161 56 K 4.5649 9.0079 128.4748 54.5052 34.6288 174.6795 57 V 4.7538 8.3760 126.6257 61.1530 33.7304 174.5498 58 R 4.5119 8.9657 127.0506 55.3504 32.9246 175.4944 59 G 4.0393 9.0191 109.0861 43.8411 0.0000 172.3923 60 K 4.5671 9.2505 120.5357 55.9359 33.1301 175.5693 61 A 5.1034 8.9046 128.2076 50.8918 23.4621 173.8245 62 Y 4.8224 9.0042 122.1341 56.2173 40.6843 174.4590 63 I 5.0036 8.4335 127.7647 59.5543 40.5868 174.4502 64 Q 5.0691 9.0359 125.6591 54.3505 31.6460 174.8835 65 T 4.8321 8.5669 112.9585 59.2983 72.3668 174.5342 66 R 3.6589 8.5498 120.7239 59.4688 29.7761 176.4034 67 H 4.6737 7.9060 112.4644 55.0511 29.6664 173.8428 68 G 3.7701 7.4377 106.0339 44.0445 0.0000 172.5614 69 V 4.3609 8.1101 120.3315 61.9969 32.7192 176.6030 70 I 4.6812 8.4587 126.3212 59.3030 42.1602 173.3217 71 E 5.1409 8.5411 125.2391 54.4367 32.2230 175.9428 72 S 4.5546 8.6333 119.2116 57.9726 64.9542 172.9713 73 E 4.9565 8.5461 120.5991 54.1885 32.5957 176.3092 74 G 3.7201 8.6672 110.9820 45.9489 0.0000 173.3429 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 5 T 8.17 4.34 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 6 N 8.06 4.73 0.00 2.80 2.85 0.00 0.00 7.24 6.75 0.00 0.00 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 S 8.06 4.53 0.00 4.15 3.97 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 8 D 8.49 4.90 0.00 2.86 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.95 5.36 0.00 3.10 2.95 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 10 V 8.82 4.56 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 0.54 0.00 0.00 0.86 0.00 0.00 11 V 8.71 4.81 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 1.17 0.00 0.00 1.18 0.00 0.00 12 I 9.20 4.90 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.52 0.92 0.00 0.00 13 K 8.93 5.00 0.00 1.87 1.76 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.36 7.81 14 A 8.74 4.33 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 15 L 9.03 4.66 0.00 1.62 1.72 1.04 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.70 4.75 0.00 1.92 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 2.18 2.34 0.00 17 D 8.56 4.36 0.00 2.58 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.76 3.86 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 0.00 0.00 0.00 19 V 7.52 3.87 2.22 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 0.95 0.00 0.00 1.04 0.00 0.00 20 N 9.02 5.32 0.00 2.58 2.59 0.00 0.00 6.31 7.19 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 21 V 8.89 4.50 2.04 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 0.80 0.00 0.00 0.90 0.00 0.00 22 I 8.91 4.67 1.39 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.42 -0.18 0.00 0.00 23 G 8.91 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 24 L 8.84 5.45 0.00 1.91 1.73 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.75 4.53 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 1.36 0.00 0.00 26 R 7.81 4.29 0.00 1.93 1.97 0.00 3.24 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.92 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.61 3.79 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 29 D 7.30 4.70 0.00 2.68 2.58 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 30 T 8.36 4.77 4.24 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 1.26 0.00 0.00 31 R 8.65 4.57 0.00 1.81 1.95 0.00 2.80 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 32 F 8.49 5.27 0.00 2.94 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 H 8.97 4.96 0.00 3.16 3.50 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.76 4.78 0.00 3.32 3.12 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.40 4.93 0.00 3.75 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.14 4.48 0.00 2.15 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 2.25 2.29 0.00 37 K 8.60 4.82 0.00 1.78 1.67 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.53 1.39 7.81 38 L 9.20 4.94 0.00 1.53 1.51 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.23 5.11 0.00 2.57 2.74 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 40 K 8.64 4.19 0.00 1.82 1.72 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.49 7.81 41 G 9.16 4.01 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 0.00 0.00 0.00 42 E 7.98 4.28 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 43 V 8.27 4.91 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 0.80 0.00 0.00 0.95 0.00 0.00 44 L 9.05 4.77 0.00 1.75 1.47 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.42 5.04 1.78 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 1.27 0.68 0.74 0.00 0.00 46 A 9.03 4.68 1.12 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 47 Q 8.70 4.75 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 48 F 8.49 4.76 0.00 3.03 2.95 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 49 T 9.00 4.70 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 1.29 0.00 0.00 50 E 8.92 4.16 0.00 1.93 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 1.96 2.25 0.00 51 H 7.83 4.63 0.00 3.45 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.34 5.39 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 53 S 8.89 5.06 0.00 3.84 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 54 A 7.85 5.01 1.32 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 0.00 0.00 0.00 55 I 8.52 4.97 1.82 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.66 0.83 0.00 0.00 56 K 9.01 4.56 0.00 1.74 1.42 0.00 1.68 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.35 7.81 57 V 8.38 4.75 2.06 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 0.85 0.00 0.00 0.90 0.00 0.00 58 R 8.97 4.51 0.00 1.71 1.76 0.00 3.13 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.46 0.00 59 G 9.02 4.04 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 0.00 0.00 0.00 60 K 9.25 4.57 0.00 1.86 1.71 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.90 5.10 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 62 Y 9.00 4.82 0.00 3.05 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.43 5.00 1.91 0.00 0.00 0.83 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 0.53 0.92 0.00 0.00 64 Q 9.04 5.07 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 65 T 8.57 4.83 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 1.17 0.00 0.00 66 R 8.55 3.66 0.00 1.58 1.76 0.00 3.14 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 67 H 7.91 4.67 0.00 3.18 3.26 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.44 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 0.00 0.00 0.00 69 V 8.11 4.36 1.96 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 0.13 0.00 0.00 0.85 0.00 0.00 70 I 8.46 4.68 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.40 0.84 0.00 0.00 71 E 8.54 5.14 0.00 1.84 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 2.23 2.09 0.00 72 S 8.63 4.55 0.00 3.96 3.97 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 73 E 8.55 4.96 0.00 1.83 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 2.20 2.28 0.00 74 G 8.67 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 0.00 0.00 0.00