NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.2045 7.8676 120.7816 61.5695 39.7409 174.6190 2 V 3.8541 8.2246 135.0000 59.9327 34.6037 172.5758 3 C 4.1768 9.7796 112.8431 56.1122 43.6799 175.5295 4 H 5.8138 8.3304 118.2598 54.1850 30.7567 172.7167 5 T 4.8726 7.3676 121.7656 64.0713 71.5264 178.4166 6 T 4.3944 6.9223 132.5376 65.8577 68.5988 175.6039 7 A 4.5739 8.3633 120.0976 55.3465 15.6702 177.1784 8 T 3.1223 7.4644 119.6175 63.0803 66.0382 171.1680 9 S 4.4985 7.7225 113.4272 56.4589 61.7828 168.5593 10 P 4.3500 0.0000 0.0000 63.8407 32.1726 178.1252 11 I 3.0207 7.1317 119.2146 63.7326 36.2708 173.3529 12 S 4.7151 8.5014 109.8566 59.1858 64.1069 176.7494 13 A 3.8140 8.4491 122.9146 52.5423 15.9804 184.1692 14 V 2.5491 6.3397 109.5171 60.0527 34.9335 174.6044 15 T 4.1860 8.3534 109.3828 62.2516 67.8399 173.8096 16 C 3.7867 8.0558 114.4686 58.5245 29.1492 169.6308 17 P 4.8563 0.0000 0.0000 62.4068 32.6484 172.9518 18 P 4.6464 0.0000 0.0000 61.3986 29.9214 180.2855 19 G 3.9835 9.4133 106.6065 44.9636 0.0000 172.5551 20 E 3.5333 8.5615 117.7419 56.3311 26.4645 174.5432 21 N 4.9100 7.5824 112.5326 55.3406 37.5394 175.6082 22 L 4.1272 9.9488 117.1524 55.9286 42.1562 174.7279 23 C 4.6201 8.0143 118.9630 56.0039 43.0046 173.3238 24 Y 4.2285 8.6374 123.9756 57.5054 38.6438 175.0230 25 R 4.7891 8.6720 125.5063 54.6762 31.9684 174.7851 26 K 4.9000 8.6715 125.8438 56.5472 36.0864 175.6962 27 M 4.4162 9.3297 120.6322 55.9162 33.0795 176.8832 28 W 5.2959 7.7459 135.0000 58.7443 30.1255 175.4772 29 C 4.4736 7.0699 117.7162 60.0902 41.8005 176.9262 30 D 3.4573 6.0900 116.4111 52.8466 42.9689 175.3741 31 A 5.0496 5.8000 135.0000 52.2666 21.0677 176.7882 32 F 4.6940 6.4125 109.5424 57.2871 39.1629 176.8314 33 C 4.2327 7.2944 118.7756 58.4218 37.1805 173.0379 34 S 4.5384 7.9310 112.2046 58.5642 63.4518 174.1049 35 S 4.2603 7.8563 113.1783 58.8190 62.5507 170.2974 36 R 3.4127 8.7976 119.3889 57.9009 27.8315 178.1781 37 G 3.5217 8.1922 110.1831 46.3986 0.0000 172.7039 38 K 4.7268 8.2447 123.1906 56.6044 34.0193 177.1620 39 V 4.4012 7.7819 111.3665 59.1380 31.4135 175.1920 40 V 4.5980 7.5605 116.0631 59.6586 34.4816 174.2106 41 E 4.4845 9.1251 119.0134 59.0328 32.8357 177.0116 42 L 4.3826 6.5510 120.6361 55.7789 38.5887 177.0440 43 G 3.8095 6.6926 108.8198 45.4824 0.0000 168.5372 44 C 4.0427 6.5906 117.9721 60.2872 31.3013 172.9875 45 A 4.7460 8.7082 125.5398 50.2681 19.9113 175.0250 46 A 4.4102 8.2957 125.0518 52.7955 14.5174 179.4939 47 T 4.3953 8.5057 112.8356 62.6679 68.5134 175.0790 48 C 4.3632 8.3211 115.0262 57.4208 41.3988 170.4775 49 P 4.4636 0.0000 0.0000 62.5596 31.3406 177.2858 50 S 4.5625 7.9359 118.7553 58.9889 63.6126 170.4170 51 K 3.9580 7.5924 118.9574 56.4459 28.5679 176.2558 52 K 4.7079 8.1892 127.7150 54.6018 35.0136 173.3434 53 P 4.3088 0.0000 0.0000 62.6268 32.1500 178.9957 54 Y 3.4157 8.2856 115.5230 58.1182 41.5248 172.3762 55 E 3.3946 6.6740 113.7825 54.0129 32.5511 180.3426 56 E 4.7510 8.2693 126.7116 55.8887 33.5078 174.6261 57 V 4.5943 7.2867 113.6515 61.7474 35.9457 172.3234 58 T 3.7945 7.3014 112.1167 65.5151 73.2297 170.5254 59 C 5.1191 7.9413 117.7190 57.0093 46.1451 173.9737 60 C 5.1825 9.8854 128.5761 57.1143 42.7366 173.0497 61 S 5.5165 7.5424 124.2698 60.3542 63.1189 175.8075 62 T 4.6119 7.4024 105.4665 63.2040 69.4805 173.3112 63 D 4.8001 8.8387 123.6270 55.4266 39.5041 174.4699 64 K 4.1011 7.0069 116.9982 55.9370 34.7979 173.9846 65 C 6.1648 7.9426 132.5395 56.9743 43.9699 174.7192 66 N 4.5495 6.8191 111.9760 51.1112 38.2894 171.8567 67 P 5.2445 0.0000 0.0000 62.9343 31.5104 176.4806 68 H 5.3531 8.2480 123.2046 54.8123 29.8806 173.7914 69 P 4.5562 0.0000 0.0000 63.3281 33.6197 176.1069 70 K 3.6159 9.7045 116.9471 55.1916 31.8615 179.0507 71 Q 3.6077 8.9491 124.8018 56.6864 27.8517 172.9589 72 R 4.5912 8.2631 119.0042 55.5701 33.9558 174.0585 73 P 4.6127 0.0000 0.0000 60.7144 31.2227 176.5599 74 G 3.6537 8.0164 112.4332 47.4426 0.0000 172.5966 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 I 7.87 4.20 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.32 0.91 0.00 0.00 2 V 8.22 3.85 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 0.66 0.00 0.00 0.85 0.00 0.00 3 C 9.78 4.18 0.00 3.13 3.18 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 0.00 0.00 0.00 0.00 4 H 8.33 5.81 0.00 3.05 3.21 0.00 5.91 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.37 4.87 4.48 0.00 0.00 0.00 0.00 0.00 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 6 T 6.92 4.39 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 0.93 0.00 0.00 7 A 8.36 4.57 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.46 3.12 4.22 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 1.21 0.00 0.00 9 S 7.72 4.50 0.00 4.03 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 10 P 0.00 4.35 0.00 2.24 2.27 0.00 3.92 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 11 I 7.13 3.02 2.09 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 1.29 0.84 0.96 0.00 0.00 12 S 8.50 4.72 0.00 3.77 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 13 A 8.45 3.81 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.34 2.55 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 0.86 0.00 0.00 0.92 0.00 0.00 15 T 8.35 4.19 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 1.17 0.00 0.00 16 C 8.06 3.79 0.00 3.40 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 17 P 0.00 4.86 0.00 2.21 1.98 0.00 3.73 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 18 P 0.00 4.65 0.00 2.39 1.51 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 19 G 9.41 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.56 3.53 0.00 2.14 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 2.23 2.27 0.00 21 N 7.58 4.91 0.00 2.87 3.25 0.00 0.00 6.61 7.79 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 22 L 9.95 4.13 0.00 1.71 1.97 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.01 4.62 0.00 2.75 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 24 Y 8.64 4.23 0.00 2.99 3.15 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 0.00 0.00 0.00 0.00 25 R 8.67 4.79 0.00 1.86 1.79 0.00 2.84 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 26 K 8.67 4.90 0.00 2.02 1.79 0.00 1.78 0.00 0.00 1.59 0.00 0.00 2.13 0.00 0.00 2.16 0.00 0.00 0.00 0.00 1.78 2.04 7.81 27 M 9.33 4.42 0.00 2.24 2.41 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.53 0.00 28 W 7.75 5.30 0.00 3.32 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.07 4.47 0.00 2.77 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 30 D 6.09 3.46 0.00 1.58 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 A 5.80 5.05 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.41 4.69 0.00 3.15 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 33 C 7.29 4.23 0.00 3.02 3.35 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 0.00 0.00 0.00 0.00 34 S 7.93 4.54 0.00 4.05 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 0.00 35 S 7.86 4.26 0.00 3.91 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 0.00 36 R 8.80 3.41 0.00 2.03 1.58 0.00 3.28 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 37 G 8.19 3.52 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 0.00 0.00 0.00 38 K 8.24 4.73 0.00 1.75 1.78 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.56 7.81 39 V 7.78 4.40 2.17 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 1.01 0.00 0.00 1.03 0.00 0.00 40 V 7.56 4.60 2.16 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 0.86 0.00 0.00 0.87 0.00 0.00 41 E 9.13 4.48 0.00 2.08 2.13 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 2.71 2.60 0.00 42 L 6.55 4.38 0.00 1.61 1.77 0.75 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 43 G 6.69 3.81 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 0.00 0.00 0.00 44 C 6.59 4.04 0.00 2.85 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.71 4.75 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 4.41 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 47 T 8.51 4.40 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 48 C 8.32 4.36 0.00 3.25 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 49 P 0.00 4.46 0.00 2.15 2.09 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.86 0.00 50 S 7.94 4.56 0.00 4.14 4.22 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 51 K 7.59 3.96 0.00 1.87 1.37 0.00 1.47 0.00 0.00 1.17 0.00 0.00 2.13 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.02 1.25 7.81 52 K 8.19 4.71 0.00 1.61 1.73 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.45 7.81 53 P 0.00 4.31 0.00 2.23 2.11 0.00 3.92 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 54 Y 8.29 3.42 0.00 3.25 3.26 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 55 E 6.67 3.39 0.00 1.16 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 2.29 2.57 0.00 56 E 8.27 4.75 0.00 2.15 1.97 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 2.18 2.42 0.00 57 V 7.29 4.59 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 0.84 0.00 0.00 1.13 0.00 0.00 58 T 7.30 3.79 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 1.18 0.00 0.00 59 C 7.94 5.12 0.00 2.96 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 60 C 9.89 5.18 0.00 2.92 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 61 S 7.54 5.52 0.00 4.15 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 62 T 7.40 4.61 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 63 D 8.84 4.80 0.00 2.73 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 64 K 7.01 4.10 0.00 1.84 1.67 0.00 1.96 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.15 1.22 7.81 65 C 7.94 6.16 0.00 3.06 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 66 N 6.82 4.55 0.00 2.73 2.79 0.00 0.00 5.87 7.76 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 67 P 0.00 5.24 0.00 2.17 1.91 0.00 3.28 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.85 0.00 68 H 8.25 5.35 0.00 3.47 3.40 0.00 5.72 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.56 0.00 2.26 2.23 0.00 4.36 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 70 K 9.70 3.62 0.00 1.93 1.74 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.38 1.45 7.81 71 Q 8.95 3.61 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.72 0.00 72 R 8.26 4.59 0.00 1.77 1.81 0.00 3.39 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 73 P 0.00 4.61 0.00 2.18 2.14 0.00 3.94 0.00 0.00 3.67 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 74 G 8.02 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00