NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 M 4.3352 8.3044 120.3435 54.9867 33.1229 174.5741 21 K 3.7627 8.5436 128.3319 54.5508 32.7136 174.6686 22 T 4.3341 8.8366 115.1678 60.9850 70.8356 172.5333 23 E 5.0423 6.8855 119.9414 54.9816 34.1522 175.2083 24 W 5.2127 9.3065 119.3484 53.3496 29.7559 174.7960 25 P 4.3836 0.0000 0.0000 65.2736 31.8251 179.1419 26 E 4.1845 8.2428 116.4344 58.2290 30.0422 178.0612 27 L 4.3623 8.1400 119.4634 55.6737 42.2311 176.9786 28 V 3.8623 7.3780 119.3748 64.1763 31.7211 176.3035 29 G 3.9729 9.1392 116.0126 45.3572 0.0000 173.6997 30 K 4.3629 7.8523 119.7598 55.0820 33.4298 176.4936 31 S 4.7659 8.4966 116.6718 57.7554 64.8738 175.5096 32 V 3.5959 8.3550 123.8668 65.1016 30.9082 178.6435 33 E 3.8733 8.0450 118.5715 59.2767 29.3521 178.7383 34 E 3.8872 8.2840 119.0618 59.0538 29.5935 178.5013 35 A 3.8830 8.0478 120.8399 55.2033 18.4366 179.7399 36 K 3.7239 8.0980 116.9565 59.3497 32.1887 179.5095 37 K 3.8616 7.9404 119.8511 59.4529 32.2761 179.0667 38 V 3.5716 7.9715 118.7941 66.1128 31.4305 178.0600 39 I 3.1384 7.6338 119.7664 64.1671 36.6845 178.4712 40 L 4.2258 7.9576 119.5624 57.4975 41.1216 179.5655 41 Q 4.0208 7.6244 117.3591 58.8775 28.7247 177.7707 42 D 4.7868 7.8843 118.4504 55.5553 42.5989 177.0630 43 K 4.6911 8.4541 120.4453 53.7647 32.5213 174.3309 44 P 4.3823 0.0000 0.0000 64.1242 31.8165 177.2611 45 A 4.3791 7.8729 118.1448 51.7385 18.9918 176.8171 46 A 4.2159 7.9021 119.4839 52.8934 19.3276 178.1936 47 Q 4.3273 9.2443 121.7837 54.6951 29.8069 174.5075 48 I 4.7000 8.0585 125.2017 59.7904 38.8866 175.3052 49 I 4.4272 8.2806 126.7640 59.0685 41.0187 173.9184 50 V 4.5782 8.3027 129.0936 61.5908 32.5768 174.7708 51 L 4.9024 8.4348 126.9343 52.0235 46.4899 174.1745 52 P 4.9504 0.0000 0.0000 62.2978 32.4545 176.5801 53 V 3.9238 8.7440 124.6260 62.7390 32.1084 176.4539 54 G 3.8301 8.8361 110.2707 46.0874 0.0000 173.2081 55 T 4.5463 7.2083 108.0162 59.8316 70.9236 173.7402 56 I 4.4823 7.9644 122.1578 59.9286 38.9652 175.7228 57 V 4.6546 7.8950 115.6464 59.3201 35.7023 175.4781 58 T 4.0875 8.4499 111.4498 62.6302 68.9555 174.0052 59 M 4.7062 8.3558 122.0140 55.0869 32.8114 176.1991 60 E 4.3513 8.1267 115.6472 55.7048 31.1993 174.9095 61 Y 4.5969 8.5125 120.7427 55.8988 39.9437 174.9819 62 A 4.4995 8.2038 131.6184 49.9905 20.1633 176.4121 63 I 3.4406 8.2267 123.3790 64.0271 38.4776 176.5270 64 D 4.5320 7.9270 118.4600 54.1357 40.2413 175.4717 65 R 4.8607 7.7081 121.6022 55.0217 32.4543 175.3110 66 V 4.7146 8.4344 124.4325 61.1258 34.2631 174.6324 67 R 4.4699 8.6513 127.4401 55.8014 31.2140 176.1193 68 L 4.5867 8.6679 123.4664 52.9996 44.4978 175.4211 69 F 5.0008 8.7759 123.3819 56.3944 40.5937 175.3460 70 V 5.0381 8.7214 117.7272 59.4716 35.0474 176.1085 71 D 4.7804 8.7711 124.0037 52.3169 40.8655 177.0385 72 R 4.1198 8.4171 114.2741 58.1146 29.5358 176.9644 73 L 4.3369 8.0825 117.7684 54.3661 42.2238 176.1454 74 D 4.4907 8.0518 118.2836 55.4974 38.2776 173.2115 75 N 5.3165 8.0037 114.9470 51.2753 40.9452 174.6437 76 I 4.1768 8.7513 122.3013 61.6658 37.5104 176.7535 77 A 4.7341 9.0369 126.8689 51.8488 19.9399 175.5791 78 Q 4.5530 7.6622 115.4105 54.0126 32.1757 174.0348 79 V 3.8597 8.3342 123.6258 62.4778 32.1117 173.9559 80 P 4.8231 0.0000 0.0000 62.7908 32.4384 175.5666 81 R 5.4626 8.5204 118.7132 54.4920 32.8314 174.8000 82 V 3.9768 8.7253 120.7011 63.1728 32.6115 176.3465 83 G 2.9502 8.4674 114.2917 45.0202 0.0000 173.4331 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 20 M 8.30 4.34 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 21 K 8.54 3.76 0.00 1.68 1.50 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.47 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.30 1.02 7.81 22 T 8.84 4.33 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 1.24 0.00 0.00 23 E 6.89 5.04 0.00 1.77 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 24 W 9.31 5.21 0.00 3.37 2.97 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 25 P 0.00 4.38 0.00 2.24 2.34 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.95 0.00 26 E 8.24 4.18 0.00 2.19 2.30 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 2.47 2.35 0.00 27 L 8.14 4.36 0.00 1.96 1.77 0.78 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.38 3.86 2.12 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 0.82 0.00 0.00 1.06 0.00 0.00 29 G 9.14 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 0.00 0.00 0.00 30 K 7.85 4.36 0.00 1.90 1.75 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.53 7.81 31 S 8.50 4.77 0.00 4.25 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 32 V 8.35 3.60 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.87 0.00 0.00 33 E 8.05 3.87 0.00 2.05 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 2.38 2.40 0.00 34 E 8.28 3.89 0.00 2.03 1.93 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 2.29 2.31 0.00 35 A 8.05 3.88 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 36 K 8.10 3.72 0.00 1.88 1.78 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.52 7.81 37 K 7.94 3.86 0.00 1.80 1.92 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.42 7.81 38 V 7.97 3.57 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 1.05 0.00 0.00 0.96 0.00 0.00 39 I 7.63 3.14 1.52 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.36 0.00 0.00 40 L 7.96 4.23 0.00 1.69 1.67 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.62 4.02 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.99 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 42 D 7.88 4.79 0.00 3.21 3.05 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 0.00 0.00 0.00 43 K 8.45 4.69 0.00 1.93 1.83 0.00 1.88 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.37 1.49 7.81 44 P 0.00 4.38 0.00 2.08 2.11 0.00 3.80 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 45 A 7.87 4.38 1.27 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 46 A 7.90 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 47 Q 9.24 4.33 0.00 1.89 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 48 I 8.06 4.70 1.77 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.41 0.78 0.00 0.00 49 I 8.28 4.43 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.36 0.77 0.00 0.00 50 V 8.30 4.58 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 0.78 0.00 0.00 0.84 0.00 0.00 51 L 8.43 4.90 0.00 0.99 1.44 0.70 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.95 0.00 2.13 2.00 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 53 V 8.74 3.92 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.92 0.00 0.00 54 G 8.84 3.83 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 0.00 0.00 0.00 55 T 7.21 4.55 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 1.30 0.00 0.00 56 I 7.96 4.48 1.89 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 0.62 0.93 0.00 0.00 57 V 7.90 4.65 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.08 0.00 0.00 58 T 8.45 4.09 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 1.23 0.00 0.00 59 M 8.36 4.71 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.63 0.00 60 E 8.13 4.35 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 2.26 0.00 61 Y 8.51 4.60 0.00 2.89 2.94 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 0.00 0.00 0.00 62 A 8.20 4.50 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 3.44 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.89 0.91 0.00 0.00 64 D 7.93 4.53 0.00 2.84 2.87 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 0.00 0.00 0.00 65 R 7.71 4.86 0.00 1.85 1.86 0.00 2.98 0.00 0.00 3.05 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 66 V 8.43 4.71 1.92 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 0.81 0.00 0.00 0.91 0.00 0.00 67 R 8.65 4.47 0.00 1.69 1.21 0.00 3.31 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 68 L 8.67 4.59 0.00 1.38 1.47 0.79 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 69 F 8.78 5.00 0.00 3.02 2.99 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 70 V 8.72 5.04 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 0.75 0.00 0.00 1.03 0.00 0.00 71 D 8.77 4.78 0.00 2.91 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 72 R 8.42 4.12 0.00 1.95 2.11 0.00 3.03 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 73 L 8.08 4.34 0.00 1.82 1.74 0.93 0.82 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 74 D 8.05 4.49 0.00 2.97 2.77 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 75 N 8.00 5.32 0.00 2.92 2.79 0.00 0.00 7.02 7.32 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 76 I 8.75 4.18 2.07 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.98 0.98 0.00 0.00 77 A 9.04 4.73 1.27 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 78 Q 7.66 4.55 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 79 V 8.33 3.86 2.15 0.00 0.00 0.00 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 0.98 0.00 0.00 80 P 0.00 4.82 0.00 2.33 1.97 0.00 3.92 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 81 R 8.52 5.46 0.00 1.97 1.98 0.00 3.19 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 82 V 8.73 3.98 2.18 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 0.71 0.00 0.00 1.18 0.00 0.00 83 G 8.47 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 0.00 0.00 0.00