NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 36 G 3.9032 8.3549 109.7361 45.3622 0.0000 173.6299 37 L 4.2606 8.3506 124.8529 53.2410 43.1833 174.4225 38 I 4.2791 7.8467 121.7910 60.0616 39.0491 176.7389 39 T 4.3156 8.1603 117.0150 61.3749 71.6761 174.2632 40 N 4.5239 8.5290 116.2737 55.4126 38.8648 177.2308 41 E 4.0138 8.0734 120.8220 59.2043 29.8523 178.7132 42 V 3.7794 8.1361 118.5815 65.6016 31.5133 177.8773 43 L 3.9241 7.6673 120.3383 58.1595 42.0686 178.5721 44 F 4.1337 8.5284 120.9182 61.4138 39.3691 176.8659 45 L 3.7539 8.6425 120.2316 58.2172 41.8891 178.8530 46 M 4.0512 8.2411 118.9070 58.3783 31.9204 178.8207 47 T 3.7891 7.9242 115.9137 66.7071 68.6925 176.7935 48 K 3.8185 7.6787 120.4722 59.3015 32.0212 178.6805 49 C 4.3518 7.9452 113.3081 60.2390 30.0063 175.7173 50 T 4.1628 7.7230 118.2118 66.0607 68.1069 176.7700 51 E 4.0029 8.0144 120.8225 59.3737 29.5459 179.1877 52 L 4.0465 7.9040 119.1017 57.6159 41.5200 179.3935 53 F 4.1997 8.3626 120.7175 61.2221 39.4095 177.1313 54 V 3.5754 7.8234 117.8361 66.3875 31.2173 178.3309 55 R 3.9455 7.8372 116.9835 59.0432 29.7405 178.6148 56 H 3.9997 8.1194 118.3334 59.1805 29.9301 177.1215 57 L 3.6941 8.2631 123.0529 57.7883 41.7571 178.6375 58 A 4.0321 7.9197 120.8012 55.3231 18.3207 179.9168 59 G 3.5471 8.3071 104.0915 47.6754 0.0000 175.7113 60 A 3.9092 8.2965 123.2116 55.0317 17.9554 179.5727 61 A 3.9017 8.0925 119.3524 55.3128 18.3743 179.2655 62 Y 3.9315 7.9230 117.6831 61.2950 39.1106 177.7957 63 T 4.5970 8.3974 118.3168 66.0728 68.2917 176.0683 64 E 3.8974 7.7989 119.9802 58.5375 29.7090 177.9563 65 E 3.7239 7.1928 117.2238 58.2719 29.7529 177.6072 66 F 4.7016 7.6604 115.7411 54.6538 39.9955 177.7089 67 G 3.9612 8.3547 109.2736 47.0337 0.0000 177.2275 68 Q 4.4770 8.9697 124.1104 55.3965 29.8141 175.5279 69 R 3.8627 7.5257 118.1381 56.2925 30.3046 174.3241 70 P 4.5657 0.0000 0.0000 62.6678 32.6982 175.2703 71 G 3.8787 8.3612 104.6647 46.8849 0.0000 173.0034 72 E 4.0403 8.2415 116.8925 54.2554 31.5807 176.0194 73 A 4.5490 7.5954 122.7079 50.1540 19.5728 176.3810 74 L 4.5440 8.6646 124.9615 55.6972 42.7314 176.3026 75 K 4.7188 8.4763 124.1186 54.2373 35.5886 176.4373 76 Y 4.1375 8.5870 119.6387 61.0061 38.5849 177.1613 77 E 3.8878 8.2693 119.4415 59.3479 29.2024 178.8927 78 H 4.1603 7.6599 115.1727 58.1979 28.6311 177.7158 79 L 4.0704 7.9413 121.6859 57.4125 41.7749 179.4004 80 S 4.0460 7.3296 113.6860 60.9983 62.7101 176.0850 81 Q 3.9552 7.7423 122.6222 59.2508 29.0317 178.6044 82 V 3.6906 7.2631 111.8384 64.4036 31.4153 178.5213 83 V 3.1139 7.3647 116.8365 65.7922 31.2691 176.2359 84 N 4.5387 7.7687 114.3023 53.9299 39.2090 174.9492 85 K 4.3531 8.6166 118.2141 56.7696 33.8979 175.4363 86 N 5.0188 7.7192 116.2856 51.0345 40.7738 175.7237 87 K 3.9867 8.7543 122.5665 59.6514 32.3151 178.3338 88 N 4.7318 8.2126 112.3793 53.8270 37.6685 175.0233 89 L 4.7037 7.8678 118.3501 54.5641 42.9181 177.8079 90 E 3.9831 8.3494 122.9273 59.0348 29.6798 179.0557 91 F 4.3566 8.3963 112.6753 59.2838 38.1396 175.7537 92 L 4.0957 6.9267 119.7092 54.8476 41.7774 178.2064 93 L 3.9068 7.4254 119.5381 57.8944 41.5260 178.6584 94 Q 4.3323 7.8904 115.5234 57.4215 29.3124 177.5867 95 I 4.0748 7.5828 120.0827 62.5223 38.7982 176.3602 96 V 4.4534 7.6628 118.8386 60.5544 30.7170 172.7276 97 P 4.5774 0.0000 0.0000 61.9705 32.6163 175.9853 98 Q 4.6243 8.2576 118.2347 54.7489 30.4414 176.4235 99 K 4.2346 8.4932 118.1828 56.7252 32.6116 176.3515 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 36 G 8.35 3.90 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 0.00 0.00 0.00 37 L 8.35 4.26 0.00 1.73 1.60 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.85 4.28 1.88 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 1.47 0.42 0.92 0.00 0.00 39 T 8.16 4.32 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 40 N 8.53 4.52 0.00 2.79 2.91 0.00 0.00 6.49 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.07 4.01 0.00 2.04 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 2.47 2.41 0.00 42 V 8.14 3.78 2.10 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 0.95 0.00 0.00 0.95 0.00 0.00 43 L 7.67 3.92 0.00 1.96 1.88 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.53 4.13 0.00 3.20 3.32 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 45 L 8.64 3.75 0.00 2.06 1.66 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 46 M 8.24 4.05 0.00 2.04 2.27 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.83 0.00 47 T 7.92 3.79 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 1.16 0.00 0.00 48 K 7.68 3.82 0.00 1.38 1.64 0.00 1.53 0.00 0.00 1.52 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.69 0.68 7.81 49 C 7.95 4.35 0.00 3.17 3.13 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 50 T 7.72 4.16 4.38 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 1.28 0.00 0.00 51 E 8.01 4.00 0.00 2.29 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 2.33 2.34 0.00 52 L 7.90 4.05 0.00 1.89 1.76 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.36 4.20 0.00 3.25 3.29 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 54 V 7.82 3.58 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 0.97 0.00 0.00 1.06 0.00 0.00 55 R 7.84 3.95 0.00 1.88 1.93 0.00 3.17 0.00 0.00 3.07 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 56 H 8.12 4.00 0.00 3.39 3.28 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.26 3.69 0.00 0.73 1.17 0.82 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.92 4.03 1.35 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 0.00 0.00 59 G 8.31 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.30 3.91 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 61 A 8.09 3.90 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 62 Y 7.92 3.93 0.00 3.27 3.12 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 63 T 8.40 4.60 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 1.24 0.00 0.00 64 E 7.80 3.90 0.00 2.13 1.83 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 2.26 2.39 0.00 65 E 7.19 3.72 0.00 1.31 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 1.47 1.47 0.00 66 F 7.66 4.70 0.00 2.45 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 67 G 8.35 3.96 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 0.00 0.00 0.00 68 Q 8.97 4.48 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 69 R 7.53 3.86 0.00 2.02 1.90 0.00 3.60 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 70 P 0.00 4.57 0.00 2.22 2.04 0.00 3.99 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 71 G 8.36 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 0.00 0.00 0.00 72 E 8.24 4.04 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 1.94 1.51 0.00 73 A 7.60 4.55 1.25 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 0.00 0.00 0.00 74 L 8.66 4.54 0.00 1.95 1.77 1.17 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.48 4.72 0.00 1.51 1.67 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.70 1.33 7.81 76 Y 8.59 4.14 0.00 3.06 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 77 E 8.27 3.89 0.00 2.18 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 2.15 2.14 0.00 78 H 7.66 4.16 0.00 3.34 3.21 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.94 4.07 0.00 1.56 1.53 0.94 0.60 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 80 S 7.33 4.05 0.00 3.91 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 7.74 3.96 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 82 V 7.26 3.69 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 0.77 0.00 0.00 0.89 0.00 0.00 83 V 7.36 3.11 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 0.69 0.00 0.00 0.86 0.00 0.00 84 N 7.77 4.54 0.00 2.88 2.90 0.00 0.00 7.03 6.46 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 85 K 8.62 4.35 0.00 1.63 1.81 0.00 1.78 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.35 7.81 86 N 7.72 5.02 0.00 2.87 2.94 0.00 0.00 7.17 7.08 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 87 K 8.75 3.99 0.00 1.85 1.89 0.00 1.68 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.45 7.81 88 N 8.21 4.73 0.00 2.93 3.00 0.00 0.00 5.81 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 89 L 7.87 4.70 0.00 1.85 1.58 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.35 3.98 0.00 2.24 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 2.35 2.27 0.00 91 F 8.40 4.36 0.00 3.17 3.12 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 92 L 6.93 4.10 0.00 1.53 1.51 0.93 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.43 3.91 0.00 1.65 1.75 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 7.89 4.33 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.09 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 95 I 7.58 4.07 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.77 0.96 0.00 0.00 96 V 7.66 4.45 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 0.57 0.00 0.00 0.93 0.00 0.00 97 P 0.00 4.58 0.00 2.16 2.01 0.00 3.89 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 2.18 0.00 98 Q 8.26 4.62 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.84 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 99 K 8.49 4.23 0.00 1.77 1.70 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.34 7.81