NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 N 4.6878 8.2833 119.2054 53.2450 39.6787 174.9395 11 V 3.5957 8.5676 119.3753 62.8635 31.5860 175.1372 12 Q 4.5783 9.7019 119.1227 55.6817 31.2313 175.7705 13 R 4.7008 7.9215 117.9199 53.2564 30.2455 174.3507 14 P 4.2673 0.0000 0.0000 65.9070 31.6949 178.4952 15 L 3.9402 7.8898 117.5063 56.9376 41.5895 178.6646 16 D 4.4872 8.2127 118.9955 56.8157 40.3943 178.4344 17 A 3.9781 7.8221 121.3412 55.0181 18.5633 179.3354 18 L 3.9387 7.5666 117.1810 57.6224 41.7039 179.5175 19 G 3.9654 7.8974 105.6893 48.3007 0.0000 175.4228 20 N 4.4759 8.1319 117.3777 55.5006 38.7522 176.7081 21 S 4.4927 8.1396 115.2722 57.6116 63.3441 174.0691 22 L 4.2864 7.2781 122.8058 56.3677 41.7894 176.9127 23 N 4.3383 9.5770 119.2202 53.8773 36.9395 173.8769 24 S 4.9471 7.8783 114.4195 55.6786 66.9401 171.7409 25 P 4.9132 0.0000 0.0000 63.0619 32.3261 176.1300 26 V 5.0484 9.0821 116.4787 59.7482 36.8239 174.2373 27 I 4.9080 9.0773 122.5972 59.6895 40.2429 174.8256 28 I 4.6992 9.1040 128.1739 59.4580 39.5180 174.4039 29 K 4.4290 8.5960 129.9007 54.9899 33.7515 175.7432 30 L 5.0651 8.4917 126.8158 52.5291 45.1242 175.9756 31 K 4.2264 8.3357 120.3610 57.8821 32.3333 178.3158 32 G 3.8647 8.6225 111.2514 44.7131 0.0000 173.5741 33 D 4.4639 7.7979 117.5269 54.9113 38.8068 173.9862 34 R 4.3232 7.5665 120.2312 56.1619 32.0661 174.3589 35 E 5.1381 8.6885 121.1138 54.7294 33.6697 173.6193 36 F 5.1941 9.3318 123.6095 55.7126 42.9754 174.2885 37 R 5.0595 9.0332 121.0517 54.2070 33.8456 175.4284 38 G 3.9581 7.9551 107.8947 46.5617 0.0000 171.1315 39 V 4.6832 7.9399 120.3260 61.3908 33.1692 175.3024 40 L 4.3545 8.8052 130.8744 55.3318 42.3377 177.0365 41 K 4.4085 8.9342 126.3905 57.9369 34.0412 176.4096 42 S 4.7602 7.8003 111.9740 58.0285 65.8809 174.0592 43 F 5.3340 7.8485 113.9919 56.4465 40.3801 172.3131 44 D 4.9438 8.6879 119.3530 50.9162 42.0233 176.5232 45 L 4.1212 8.2902 118.0088 58.3441 40.5355 177.3009 46 H 4.5512 8.3415 116.2616 55.8638 28.9125 176.0144 47 M 3.4110 8.3341 118.1592 55.9437 30.0195 176.5922 48 N 4.9545 8.0900 116.5930 53.7448 40.0027 173.8623 49 L 5.0064 8.7497 120.8725 54.9600 44.6699 174.0258 50 V 4.8913 8.8123 119.4556 61.1240 34.4463 174.2217 51 L 5.3347 8.8787 126.4065 53.1396 45.2473 175.3310 52 N 5.0971 8.9950 119.1251 51.4847 41.7261 174.1681 53 D 4.3636 8.3489 117.4684 55.4536 38.6392 173.7345 54 A 4.9946 8.0898 120.0759 51.2029 21.3211 177.7215 55 E 5.0753 9.2962 119.4269 54.4756 34.0242 174.4411 56 E 4.1664 9.0411 123.9961 54.2262 31.9988 174.5250 57 L 5.2081 8.6842 126.6338 53.0158 45.2236 175.3746 58 E 4.7935 8.8613 121.2829 55.2403 34.0632 175.4435 59 D 4.1208 9.8192 122.2408 55.3852 38.6420 174.1048 60 G 4.0956 8.5239 106.8836 44.9365 0.0000 173.2810 61 E 4.7171 7.7294 117.5488 53.7166 32.8604 175.3757 62 V 4.0184 8.2332 120.8864 63.4323 31.9223 175.7422 63 T 4.5720 8.4168 116.1020 61.3952 70.3517 173.9259 64 R 4.4410 7.3999 119.7842 55.6973 33.5578 173.1104 65 R 5.0264 8.7429 124.1742 54.8563 31.4569 175.6727 66 L 4.3881 9.0430 124.2840 52.8227 43.0632 178.5768 67 G 3.9406 8.2644 108.2162 46.8771 0.0000 175.3893 68 T 5.0252 8.5441 121.0495 62.1538 69.5336 173.3313 69 V 4.5128 8.8965 124.8277 59.9646 35.4104 173.6441 70 L 4.9422 8.5207 124.9958 53.6370 43.6862 175.1421 71 I 4.3365 8.4152 127.7529 59.3598 39.8987 175.5040 72 R 4.5921 8.4788 126.3757 55.5190 30.8833 177.8819 73 G 3.8540 9.7022 112.0749 47.9504 0.0000 174.9689 74 D 4.2840 8.1759 118.3576 56.8221 41.3126 176.6197 75 N 4.6939 7.9797 114.4361 53.5136 39.2888 175.0069 76 I 4.2590 7.6350 120.4235 61.3108 37.9523 175.4664 77 V 4.2797 8.9506 125.5977 64.5962 32.3622 175.1449 78 Y 5.0389 7.1943 116.0321 55.9770 41.6003 172.9978 79 I 5.3131 8.4798 119.9661 59.7967 40.9755 174.8819 80 S 4.8120 9.0870 119.9713 56.7615 67.1916 172.9120 81 R 4.4883 8.6231 118.4669 55.9001 30.7450 177.0938 82 G 4.0873 8.7519 110.5119 45.2551 0.0000 173.0366 83 K 4.7229 8.3031 118.8389 54.2991 34.2772 176.8057 84 L 4.2654 8.1491 120.8015 53.7138 42.5144 176.8680 85 A 3.9869 8.4669 122.7369 52.4644 18.7686 177.7863 86 A 4.1719 8.5357 122.5286 52.5856 18.4003 177.6460 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 10 N 8.28 4.69 0.00 2.75 2.90 0.00 0.00 7.08 6.83 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 11 V 8.57 3.60 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 0.73 0.00 0.00 0.93 0.00 0.00 12 Q 9.70 4.58 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.23 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 13 R 7.92 4.70 0.00 1.97 2.04 0.00 3.22 0.00 0.00 3.44 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 14 P 0.00 4.27 0.00 2.24 2.31 0.00 3.80 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 2.08 2.06 0.00 15 L 7.89 3.94 0.00 1.78 1.87 1.04 1.08 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 16 D 8.21 4.49 0.00 2.93 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.82 3.98 1.30 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 0.00 0.00 0.00 18 L 7.57 3.94 0.00 1.13 0.31 0.22 0.66 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 19 G 7.90 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 20 N 8.13 4.48 0.00 2.89 2.91 0.00 0.00 7.09 7.07 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 21 S 8.14 4.49 0.00 3.93 3.87 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 22 L 7.28 4.29 0.00 1.82 1.69 1.10 1.22 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 23 N 9.58 4.34 0.00 2.87 2.96 0.00 0.00 6.84 8.19 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 24 S 7.88 4.95 0.00 3.87 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 4.91 0.00 2.09 1.99 0.00 3.55 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 2.12 2.13 0.00 26 V 9.08 5.05 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 0.93 0.00 0.00 1.02 0.00 0.00 27 I 9.08 4.91 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.78 0.98 0.00 0.00 28 I 9.10 4.70 1.94 0.00 0.00 0.85 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 0.95 0.86 0.00 0.00 29 K 8.60 4.43 0.00 0.79 0.74 0.00 1.30 0.00 0.00 1.49 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.01 1.20 7.81 30 L 8.49 5.07 0.00 1.67 1.58 1.12 0.51 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 31 K 8.34 4.23 0.00 1.77 1.74 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.54 7.81 32 G 8.62 3.86 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 0.00 0.00 0.00 33 D 7.80 4.46 0.00 2.87 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.57 4.32 0.00 1.89 1.85 0.00 3.29 0.00 0.00 3.59 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.53 0.00 35 E 8.69 5.14 0.00 1.99 1.61 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 2.17 2.25 0.00 36 F 9.33 5.19 0.00 3.00 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 37 R 9.03 5.06 0.00 1.72 1.80 0.00 3.21 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 38 G 7.96 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 39 V 7.94 4.68 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 1.02 0.00 0.00 0.95 0.00 0.00 40 L 8.81 4.35 0.00 1.85 1.73 1.11 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.93 4.41 0.00 1.66 1.84 0.00 1.83 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.66 7.81 42 S 7.80 4.76 0.00 3.75 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 43 F 7.85 5.33 0.00 3.12 3.02 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 0.00 0.00 0.00 44 D 8.69 4.94 0.00 2.84 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 45 L 8.29 4.12 0.00 1.76 1.84 0.88 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.34 4.55 0.00 3.42 3.38 0.00 5.91 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.33 3.41 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 48 N 8.09 4.95 0.00 2.96 2.75 0.00 0.00 6.56 6.74 0.00 0.00 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 L 8.75 5.01 0.00 1.92 1.84 0.88 0.55 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 50 V 8.81 4.89 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 1.10 0.00 0.00 0.93 0.00 0.00 51 L 8.88 5.33 0.00 1.61 1.53 0.97 0.88 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 52 N 9.00 5.10 0.00 2.71 2.71 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 53 D 8.35 4.36 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.09 4.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.30 5.08 0.00 1.82 1.76 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 2.21 2.22 0.00 56 E 9.04 4.17 0.00 1.55 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.47 0.00 57 L 8.68 5.21 0.00 1.47 1.42 0.82 0.68 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 58 E 8.86 4.79 0.00 1.80 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 59 D 9.82 4.12 0.00 2.72 2.66 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 0.00 0.00 0.00 0.00 60 G 8.52 4.10 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 0.00 0.00 0.00 61 E 7.73 4.72 0.00 1.95 1.79 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 2.18 2.32 0.00 62 V 8.23 4.02 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 0.80 0.00 0.00 0.90 0.00 0.00 63 T 8.42 4.57 4.20 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 1.22 0.00 0.00 64 R 7.40 4.44 0.00 1.83 1.70 0.00 3.16 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 65 R 8.74 5.03 0.00 1.71 1.84 0.00 3.24 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 66 L 9.04 4.39 0.00 1.61 1.77 1.21 0.91 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 67 G 8.26 3.94 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 0.00 0.00 0.00 68 T 8.54 5.03 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 1.25 0.00 0.00 69 V 8.90 4.51 2.11 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 0.69 0.00 0.00 0.86 0.00 0.00 70 L 8.52 4.94 0.00 1.62 1.57 0.98 0.98 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 71 I 8.42 4.34 1.70 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.49 0.68 0.00 0.00 72 R 8.48 4.59 0.00 1.84 1.83 0.00 3.12 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 73 G 9.70 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.18 4.28 0.00 2.62 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 4.69 0.00 2.80 2.82 0.00 0.00 6.86 6.69 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 76 I 7.64 4.26 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.91 0.00 0.00 77 V 8.95 4.28 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 0.91 0.00 0.00 0.95 0.00 0.00 78 Y 7.19 5.04 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.48 5.31 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.68 0.90 0.00 0.00 80 S 9.09 4.81 0.00 3.87 4.03 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 0.00 0.00 0.00 81 R 8.62 4.49 0.00 1.73 1.90 0.00 3.19 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 82 G 8.75 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.30 4.72 0.00 1.75 1.73 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.44 7.81 84 L 8.15 4.27 0.00 1.64 1.60 0.93 0.79 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 85 A 8.47 3.99 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 86 A 8.54 4.17 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