NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 M 4.2632 8.5404 119.7427 55.8430 32.2708 169.0212 19 A 4.2437 9.4924 131.0410 50.3952 17.9914 175.9139 20 L 4.4411 8.9101 123.9358 54.5099 44.8435 174.9146 21 K 5.5700 8.8610 122.7558 54.4015 33.7234 174.4586 22 C 5.1842 8.2313 121.4812 54.2567 44.8492 173.3274 23 F 5.0474 8.6140 119.7104 58.0737 39.0359 175.3524 24 T 4.8352 8.9999 120.1540 61.7754 71.3582 173.0753 25 R 4.6770 8.4176 127.2137 54.3664 30.9217 175.8301 26 N 4.6136 9.6851 127.8485 51.6348 38.0947 173.8944 27 G 4.1256 9.5914 116.9487 43.8216 0.0000 170.9352 28 D 4.6469 8.2087 117.4925 53.2888 44.3262 174.5259 29 D 4.6012 7.9218 118.0165 53.8053 40.4099 175.0965 30 R 4.7288 8.2952 117.8666 54.8385 32.8115 175.3035 31 T 4.7469 8.3390 120.7916 61.4274 72.6341 173.8129 32 V 4.0136 8.7790 126.3475 63.1759 31.7584 174.9410 33 T 4.6269 8.8212 119.2855 60.1740 71.6724 173.5048 34 T 4.9691 8.4096 118.6409 60.8212 68.6316 172.6982 35 C 4.8308 9.2617 124.4502 53.8297 39.0868 173.2574 36 A 4.6953 8.2546 122.6251 51.2228 18.8475 178.3528 37 E 4.0281 8.6941 118.1422 59.4807 30.0566 179.6860 38 E 3.9435 8.3868 116.7803 59.5753 29.9219 178.3436 39 Q 4.6047 7.4897 118.8869 54.8238 27.9997 176.7345 40 T 4.0875 7.6876 105.5715 62.8073 69.7677 174.1807 41 R 4.7512 7.7149 121.5375 54.8371 33.9972 173.8510 42 C 5.3382 8.3295 115.5524 55.4484 38.9964 173.3929 43 L 4.8814 9.4122 126.4309 53.9805 43.6606 175.0963 44 F 5.8844 9.1645 127.8731 55.8966 42.8020 173.0288 45 V 4.5634 7.7046 125.7595 60.8073 34.1723 174.5760 46 Q 4.2380 8.9997 127.7616 55.7449 29.3379 175.7428 47 L 4.7778 8.1159 121.5134 52.4615 45.4766 175.4774 48 P 4.4490 0.0000 0.0000 63.5324 31.0308 176.0250 49 Y 4.8059 7.4348 115.2145 59.1149 41.5474 175.3665 50 S 5.0374 7.9389 117.2436 57.6415 64.9250 172.8833 51 E 4.7755 8.4191 120.9931 56.1262 32.6667 175.0544 52 I 4.3076 8.2326 122.9611 60.6133 38.9839 174.9421 53 Q 5.2639 8.3042 124.8869 54.4148 32.9985 173.7708 54 E 5.0062 8.6240 119.2594 55.9054 33.3109 174.6843 55 C 4.8995 8.9050 118.2275 57.0877 35.7327 173.2895 56 K 4.6367 8.8889 122.1030 55.3088 35.8576 175.1484 57 T 4.5382 8.7210 123.5657 63.5336 69.4002 174.5553 58 V 3.7254 8.9075 124.6865 66.6983 31.2877 178.0880 59 Q 3.9032 7.9975 117.9646 59.3081 29.0639 177.9535 60 Q 4.7862 8.0499 121.2209 59.0468 28.9903 178.9537 61 C 4.4578 9.0907 120.0567 59.4366 38.9044 175.3909 62 A 3.9384 7.9920 122.9776 54.9773 18.0961 179.4436 63 E 3.9647 8.5273 116.5519 59.6453 29.9926 179.7447 64 V 4.5189 8.3785 114.9025 63.0405 31.4578 178.1645 65 L 3.9502 7.9295 120.8385 58.3503 41.8535 178.7682 66 E 3.9652 8.0236 119.4643 58.8992 28.3380 178.3772 67 E 3.9591 8.0840 117.4600 59.7224 29.6754 179.6625 68 V 4.0889 7.7699 112.9929 63.9892 31.4851 178.3720 69 T 4.5024 8.5844 115.9792 64.8048 68.2004 176.3688 70 A 3.9546 8.0616 122.0996 54.2155 18.6720 179.0677 71 I 3.9679 6.9549 118.1318 62.7799 37.3881 176.4953 72 G 3.6964 6.7957 105.3136 45.1181 0.0000 172.9468 73 Y 4.5909 7.9317 119.1361 55.5872 39.3102 173.5658 74 P 4.5110 0.0000 0.0000 63.0157 32.4761 175.5239 75 A 5.2859 8.4591 124.2481 50.4458 22.8689 175.0797 76 K 4.6589 9.5268 117.5962 55.7760 36.5664 174.8983 77 C 6.3000 9.1475 119.0243 54.1807 39.7125 171.9773 78 C 4.9951 8.4928 118.6170 53.5616 45.2230 172.4544 79 C 4.9201 8.1605 113.8418 57.4109 30.5686 173.0254 80 E 4.8851 8.1431 123.7610 55.4248 31.8015 175.3969 81 D 4.5455 8.6061 123.9362 55.6394 41.1457 176.4445 82 L 3.1573 8.7785 121.7776 55.4883 39.7874 175.8999 83 C 4.2172 7.8798 120.4454 59.2058 43.6721 174.4620 84 N 4.6702 7.3789 117.7444 51.3321 34.7154 173.9373 85 R 3.6273 6.9633 120.6890 56.7034 32.2689 174.6821 86 S 4.6730 7.6392 112.2687 59.9999 70.0800 176.9868 87 E 4.3421 7.8854 116.5997 56.7124 30.0342 176.2136 88 Q 4.0730 7.8551 126.4600 57.4450 29.0348 175.1095 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 18 M 8.54 4.26 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 19 A 9.49 4.24 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 20 L 8.91 4.44 0.00 1.56 1.56 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.86 5.57 0.00 1.74 1.63 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.17 7.81 22 C 8.23 5.18 0.00 2.80 3.08 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 23 F 8.61 5.05 0.00 3.01 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 24 T 9.00 4.84 4.29 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 1.24 0.00 0.00 25 R 8.42 4.68 0.00 1.82 1.88 0.00 3.11 0.00 0.00 3.01 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 26 N 9.69 4.61 0.00 2.67 2.83 0.00 0.00 7.55 7.86 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 27 G 9.59 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.21 4.65 0.00 2.56 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 4.60 0.00 2.88 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.30 4.73 0.00 1.53 1.48 0.00 3.01 0.00 0.00 3.03 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.53 0.00 31 T 8.34 4.75 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 1.25 0.00 0.00 32 V 8.78 4.01 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 0.72 0.00 0.00 0.79 0.00 0.00 33 T 8.82 4.63 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 1.29 0.00 0.00 34 T 8.41 4.97 4.21 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 1.20 0.00 0.00 35 C 9.26 4.83 0.00 2.98 3.19 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 36 A 8.25 4.70 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 37 E 8.69 4.03 0.00 2.01 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 0.00 2.40 2.25 0.00 38 E 8.39 3.94 0.00 2.14 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 0.00 2.36 2.35 0.00 39 Q 7.49 4.60 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 40 T 7.69 4.09 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 1.23 0.00 0.00 41 R 7.71 4.75 0.00 1.99 1.90 0.00 3.24 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 42 C 8.33 5.34 0.00 2.97 2.96 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 0.00 0.00 0.00 0.00 43 L 9.41 4.88 0.00 1.72 1.57 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 44 F 9.16 5.88 0.00 3.18 2.90 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 45 V 7.70 4.56 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 0.98 0.00 0.00 0.85 0.00 0.00 46 Q 9.00 4.24 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.15 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 47 L 8.12 4.78 0.00 1.75 1.47 0.62 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.45 0.00 0.97 1.75 0.00 3.01 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.93 0.00 49 Y 7.43 4.81 0.00 2.84 2.88 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 50 S 7.94 5.04 0.00 3.85 3.70 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 51 E 8.42 4.78 0.00 1.95 1.95 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 2.24 2.55 0.00 52 I 8.23 4.31 1.78 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 1.07 0.77 0.88 0.00 0.00 53 Q 8.30 5.26 0.00 2.06 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.59 0.00 0.00 0.00 0.00 0.00 2.69 2.49 0.00 54 E 8.62 5.01 0.00 2.05 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 0.00 2.11 2.20 0.00 55 C 8.91 4.90 0.00 2.89 3.19 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 56 K 8.89 4.64 0.00 1.86 1.61 0.00 1.55 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.53 7.81 57 T 8.72 4.54 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 1.29 0.00 0.00 58 V 8.91 3.73 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 0.99 0.00 0.00 0.93 0.00 0.00 59 Q 8.00 3.90 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.64 0.00 0.00 0.00 0.00 0.00 2.59 2.43 0.00 60 Q 8.05 4.79 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 61 C 9.09 4.46 0.00 3.12 3.08 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 62 A 7.99 3.94 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.53 3.96 0.00 2.20 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 0.00 2.51 2.35 0.00 64 V 8.38 4.52 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 1.15 0.00 0.00 1.01 0.00 0.00 65 L 7.93 3.95 0.00 2.00 1.83 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.02 3.97 0.00 2.03 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 0.00 2.31 2.32 0.00 67 E 8.08 3.96 0.00 2.28 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 0.00 2.39 2.35 0.00 68 V 7.77 4.09 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 0.99 0.00 0.00 1.06 0.00 0.00 69 T 8.58 4.50 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 1.22 0.00 0.00 70 A 8.06 3.95 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 I 6.95 3.97 2.17 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.93 0.97 0.00 0.00 72 G 6.80 3.70 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 0.00 0.00 0.00 73 Y 7.93 4.59 0.00 3.10 2.81 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 0.00 0.00 0.00 74 P 0.00 4.51 0.00 2.08 2.00 0.00 3.61 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 75 A 8.46 5.29 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 76 K 9.53 4.66 0.00 1.81 1.96 0.00 1.47 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.82 1.65 7.81 77 C 9.15 6.30 0.00 2.85 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 78 C 8.49 5.00 0.00 2.98 3.22 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 0.00 79 C 8.16 4.92 0.00 2.95 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 80 E 8.14 4.89 0.00 1.97 1.77 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 2.08 2.10 0.00 81 D 8.61 4.55 0.00 2.63 2.52 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 82 L 8.78 3.16 0.00 1.73 1.62 0.29 0.71 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 83 C 7.88 4.22 0.00 3.06 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.38 4.67 0.00 3.04 2.97 0.00 0.00 7.13 8.04 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 85 R 6.96 3.63 0.00 1.69 1.80 0.00 3.22 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.46 0.00 86 S 7.64 4.67 0.00 4.01 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 87 E 7.89 4.34 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 88 Q 7.86 4.07 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.63 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00