NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3458 8.2893 120.3261 54.2482 33.1096 174.4397 2 P 4.0674 0.0000 0.0000 62.8064 30.0695 173.9050 3 R 3.9927 8.8018 125.1949 54.4423 33.5939 176.5303 4 L 5.0704 8.3346 119.5307 53.1194 45.6983 175.2901 5 K 4.9795 9.9271 126.5820 54.7533 34.4791 175.1051 6 V 4.8395 8.9613 121.3073 59.4871 34.9953 174.4063 7 K 4.6892 8.7127 127.5245 54.2217 34.5910 174.9104 8 L 4.2244 8.1549 129.5564 55.1785 42.7583 176.8887 9 V 4.2962 8.6788 119.0861 60.5601 33.6300 176.8147 10 K 4.2160 8.2620 122.0491 55.3653 32.5807 173.9410 11 S 3.9259 8.3408 118.3780 56.9878 63.1612 172.6551 12 P 4.1576 0.0000 0.0000 66.6069 31.2445 175.5277 13 I 3.6620 6.9148 121.7017 62.8543 34.4772 173.7371 14 G 3.8429 8.3508 112.1304 45.1431 0.0000 171.0593 15 Y 4.7390 7.5921 116.8435 54.6006 41.4236 174.0063 16 P 4.2808 0.0000 0.0000 62.4050 33.5803 177.7890 17 K 4.1111 8.7972 119.8810 58.9298 32.0625 178.9875 18 D 4.4914 7.9600 119.0110 55.7622 39.9988 178.5528 19 Q 4.0285 8.0095 118.9492 58.5051 28.8577 178.8152 20 K 3.9676 8.1841 119.2447 59.4405 31.8008 179.1096 21 A 4.1771 7.8407 119.5031 53.8426 18.1475 178.9871 22 A 3.9630 7.7268 119.5222 54.3623 19.1898 179.6302 23 L 3.8872 7.5773 117.6362 57.8793 41.5345 179.7166 24 K 4.0174 7.8097 117.4508 58.8690 32.0542 178.5414 25 A 4.0985 7.1197 120.4414 55.2810 18.5012 179.1448 26 L 4.1387 7.8280 116.3798 58.3513 41.7777 177.8998 27 G 3.7961 7.6221 105.9101 44.9704 0.0000 173.0885 28 L 4.5861 7.8155 120.9186 54.3040 42.4608 175.7569 29 R 4.5973 7.3603 122.1579 55.6158 29.3001 179.6159 30 R 3.7250 8.3585 125.9228 55.3355 30.7893 175.1651 31 L 4.1642 8.0900 123.3614 56.5257 42.8611 175.3477 32 Q 4.3112 8.7637 124.0074 55.8695 27.9660 173.1498 33 Q 4.0381 7.3636 118.8988 56.8338 29.7640 176.2023 34 E 4.9665 8.6657 124.4358 55.4474 31.9387 175.0366 35 R 4.7691 8.7957 119.8520 55.0357 34.5489 173.8859 36 V 5.5540 8.1088 114.5448 58.7151 34.7363 175.0753 37 L 4.7115 8.3636 123.3154 52.8448 46.7362 174.7939 38 E 3.9463 8.8598 119.4858 56.6120 29.7168 178.1262 39 D 4.6261 8.2637 125.8499 53.8047 40.5928 175.9261 40 T 4.3050 7.3409 110.9288 60.5565 70.4476 174.5175 41 P 4.1778 0.0000 0.0000 65.0361 31.2710 177.9313 42 A 4.2013 7.4269 122.2981 54.5628 18.8648 179.2704 43 I 3.6702 7.8596 118.2347 63.6135 37.6513 178.4113 44 R 4.0336 8.1245 121.4107 59.2109 29.7018 178.3011 45 G 3.6866 8.0045 105.0165 48.2170 0.0000 174.6249 46 N 4.2379 7.6988 119.5647 56.4401 38.5687 176.9756 47 V 3.8119 7.7553 119.5362 65.8578 31.5824 177.8614 48 E 3.9489 8.4792 118.8552 59.2551 29.0678 178.9336 49 K 3.8849 7.2675 118.7904 59.1603 32.2123 178.0811 50 V 3.9770 7.3763 109.5913 60.7079 31.6365 177.3791 51 A 3.5001 7.9367 124.5338 55.4874 18.2396 178.7027 52 H 4.6584 7.8605 108.3178 56.3330 29.3446 175.3736 53 L 4.6514 8.8363 120.2492 54.1694 44.3153 176.0425 54 V 4.8520 7.7444 116.8369 60.8747 35.3030 174.8475 55 R 4.5015 8.4463 121.8502 54.2845 32.8300 176.3134 56 V 4.3772 8.3301 124.9162 62.6756 33.4571 174.2162 57 E 5.4958 8.1044 125.7002 56.0320 32.7336 176.5606 58 V 4.4532 8.4601 128.7948 62.4485 32.1075 176.0712 59 V 3.9757 7.8995 126.3893 62.9774 31.4898 174.9977 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 M 8.29 4.35 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 2 P 0.00 4.07 0.00 2.25 2.13 0.00 3.80 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 1.99 2.04 0.00 3 R 8.80 3.99 0.00 1.85 1.90 0.00 3.23 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 4 L 8.33 5.07 0.00 1.81 1.49 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.93 4.98 0.00 1.60 1.82 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.59 7.81 6 V 8.96 4.84 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 0.61 0.00 0.00 0.94 0.00 0.00 7 K 8.71 4.69 0.00 1.81 1.63 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.53 7.81 8 L 8.15 4.22 0.00 1.86 1.53 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.68 4.30 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 0.69 0.00 0.00 0.98 0.00 0.00 10 K 8.26 4.22 0.00 1.75 1.57 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.36 7.81 11 S 8.34 3.93 0.00 3.88 3.79 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 0.00 0.00 0.00 12 P 0.00 4.16 0.00 2.26 2.22 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 13 I 6.91 3.66 1.92 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 1.38 0.54 0.95 0.00 0.00 14 G 8.35 3.84 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 0.00 0.00 0.00 15 Y 7.59 4.74 0.00 2.92 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 16 P 0.00 4.28 0.00 2.23 2.11 0.00 3.83 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 17 K 8.80 4.11 0.00 1.78 1.88 0.00 1.68 0.00 0.00 1.89 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.46 7.81 18 D 7.96 4.49 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 19 Q 8.01 4.03 0.00 2.32 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 20 K 8.18 3.97 0.00 1.83 1.86 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.49 1.81 7.81 21 A 7.84 4.18 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.73 3.96 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 23 L 7.58 3.89 0.00 1.73 1.70 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.81 4.02 0.00 1.78 1.84 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.45 7.81 25 A 7.12 4.10 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 26 L 7.83 4.14 0.00 1.73 1.73 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.62 3.80 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 0.00 0.00 0.00 28 L 7.82 4.59 0.00 1.73 1.68 0.89 0.61 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 29 R 7.36 4.60 0.00 1.79 1.01 0.00 3.19 0.00 0.00 3.22 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 30 R 8.36 3.73 0.00 1.87 1.83 0.00 3.13 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 31 L 8.09 4.16 0.00 1.59 1.56 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.76 4.31 0.00 2.24 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.64 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 33 Q 7.36 4.04 0.00 2.33 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 34 E 8.67 4.97 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 35 R 8.80 4.77 0.00 1.84 1.72 0.00 3.02 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 36 V 8.11 5.55 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 0.92 0.00 0.00 0.92 0.00 0.00 37 L 8.36 4.71 0.00 1.54 1.49 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.86 3.95 0.00 1.82 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 0.00 2.32 2.40 0.00 39 D 8.26 4.63 0.00 2.72 2.61 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 40 T 7.34 4.30 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 1.21 0.00 0.00 41 P 0.00 4.18 0.00 2.20 2.14 0.00 3.59 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 2.11 2.08 0.00 42 A 7.43 4.20 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 43 I 7.86 3.67 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 1.18 0.84 0.90 0.00 0.00 44 R 8.12 4.03 0.00 2.10 2.01 0.00 3.11 0.00 0.00 3.17 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 45 G 8.00 3.69 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 0.00 0.00 0.00 46 N 7.70 4.24 0.00 2.93 2.86 0.00 0.00 6.96 7.59 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 47 V 7.76 3.81 2.27 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 0.96 0.00 0.00 0.96 0.00 0.00 48 E 8.48 3.95 0.00 2.06 1.99 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 2.33 2.48 0.00 49 K 7.27 3.88 0.00 1.89 2.00 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.48 1.53 7.81 50 V 7.38 3.98 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 0.73 0.00 0.00 0.97 0.00 0.00 51 A 7.94 3.50 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 52 H 7.86 4.66 0.00 3.28 3.46 0.00 5.67 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.84 4.65 0.00 1.30 1.61 0.51 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.74 4.85 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 0.88 0.00 0.00 0.86 0.00 0.00 55 R 8.45 4.50 0.00 1.76 1.79 0.00 3.17 0.00 0.00 3.08 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 56 V 8.33 4.38 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 0.94 0.00 0.00 0.92 0.00 0.00 57 E 8.10 5.50 0.00 2.11 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 0.00 2.12 2.06 0.00 58 V 8.46 4.45 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 0.83 0.00 0.00 0.93 0.00 0.00 59 V 7.90 3.98 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 0.81 0.00 0.00 0.98 0.00 0.00