NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4226 8.1627 120.6043 55.5112 34.0327 173.5414 2 Q 4.9475 8.4579 127.1978 52.4251 32.0926 172.5156 3 I 4.6557 9.0894 119.5065 59.0748 42.3554 173.3101 4 F 5.4122 8.9129 121.0961 55.7075 42.5327 174.7238 5 V 4.8160 9.1253 122.1673 61.1701 34.5049 174.1147 6 K 5.1340 8.9136 128.0907 54.9784 34.2130 177.1421 7 T 4.6588 8.7854 115.8718 60.5616 70.0142 175.4139 8 L 3.9565 8.4360 120.9617 57.7767 41.5236 178.5623 9 T 4.1427 7.8829 106.1771 61.7937 69.2878 175.4990 10 G 3.9358 8.2873 111.4393 44.8426 0.0000 173.5800 11 K 4.1320 7.7845 122.3821 56.6893 33.3348 175.6797 12 T 4.8736 8.4837 123.9418 62.5834 70.0287 173.9572 13 I 4.5380 9.1084 127.4775 59.8640 39.8287 174.5586 14 T 5.0808 8.6133 123.4968 61.9872 70.2246 174.0218 15 L 4.8063 8.7105 125.7580 52.7951 45.9459 174.9673 16 E 4.8638 8.6842 123.2534 55.0994 30.8264 175.1664 17 V 4.6975 8.7921 119.7600 60.1076 36.4276 174.0380 18 E 4.7108 9.4018 119.5199 54.1200 33.2573 175.8184 19 P 4.1661 0.0000 0.0000 65.8950 31.4770 178.4438 20 S 4.4036 7.8774 109.3832 58.8869 63.8251 174.0795 21 D 4.3870 8.0102 123.2971 55.0351 41.3785 176.3609 22 T 4.7224 8.2306 113.8352 61.1016 71.4423 175.9849 23 I 3.7602 8.5030 123.0453 64.3970 37.1325 178.4416 24 E 3.9281 8.2510 120.4276 59.3279 29.5414 178.6260 25 N 4.3333 8.0028 116.2384 56.2840 38.5910 177.5427 26 V 3.5791 7.6141 119.2430 66.0408 31.6747 178.2115 27 K 4.4036 8.6590 119.5870 58.8699 31.7994 179.2031 28 A 4.0260 7.9313 120.7068 55.0645 18.3434 179.8661 29 K 3.9717 7.8978 116.6056 59.5883 31.9929 179.7124 30 I 3.7413 7.9636 120.3057 64.2554 36.9531 178.2229 31 Q 4.1526 8.1105 121.7981 58.8298 28.6765 178.0771 32 D 4.4109 7.8787 118.8416 57.1959 40.8759 178.7505 33 K 4.1682 7.8776 118.0350 58.8570 32.3490 178.4131 34 E 4.6556 8.3451 115.0337 55.0428 30.9295 177.0931 35 G 3.8490 8.2959 107.3444 45.6978 0.0000 173.4349 36 I 4.0734 7.4231 121.3103 59.2814 37.6521 173.7663 37 P 4.4184 0.0000 0.0000 61.9618 32.0658 175.6461 38 P 4.2272 0.0000 0.0000 65.8112 31.3537 177.8147 39 D 4.5805 8.0713 114.6253 54.7575 39.4952 176.4128 40 Q 4.4697 8.0106 118.0592 55.7826 29.8297 175.1479 41 Q 4.3342 7.9177 119.4042 54.5797 29.8318 174.3757 42 R 4.7375 8.5094 123.0663 54.6215 32.7638 173.8550 43 L 5.4286 8.5066 126.4703 53.0850 44.6962 175.6254 44 I 5.6268 8.4830 114.6887 58.2424 41.6423 173.8934 45 F 5.0362 8.2103 124.8171 56.8910 42.6432 174.3075 46 A 3.4384 9.1799 129.6004 53.1605 15.8028 177.7099 47 G 3.8692 8.1720 105.9551 46.7152 0.0000 174.0773 48 K 4.4087 7.7997 120.4878 54.6136 33.4659 175.4652 49 Q 4.5486 8.5170 125.2592 55.9702 29.7450 174.8248 50 L 3.9771 8.4681 127.3168 53.5430 43.0057 176.0556 51 E 4.4590 9.5935 124.1777 55.2907 31.0013 177.0229 52 D 4.3909 9.2067 124.2240 57.8120 40.9680 178.9086 53 G 3.8518 8.0810 103.6306 46.1840 0.0000 173.3504 54 R 4.4812 8.0238 119.9270 54.7964 31.9532 175.7318 55 T 5.0295 8.4178 110.2868 59.9310 70.9929 176.0232 56 L 4.1156 8.4567 122.0866 58.0168 41.9821 180.0324 57 S 4.0657 8.2481 113.2929 61.3201 62.4799 175.8187 58 D 4.1851 7.7053 119.0354 57.0662 40.5244 176.8531 59 Y 4.6331 7.2957 112.6697 57.0591 38.0212 174.8785 60 N 4.2387 8.1776 117.1182 54.5062 37.9784 173.9474 61 I 3.3116 7.7783 117.3303 60.3569 37.8560 175.5283 62 Q 4.7183 8.4233 124.0399 53.3374 32.1146 174.6245 63 K 4.1664 8.3871 117.6097 58.6383 32.2179 177.3033 64 E 3.9378 9.1966 121.6685 56.7049 27.9614 174.9633 65 S 4.5761 7.8928 115.8470 58.9679 64.2365 173.1900 66 T 5.2239 8.7402 118.8288 62.0086 70.6299 173.6468 67 L 5.0814 9.3079 126.2055 53.4261 45.1987 175.0365 68 H 5.3360 8.9239 117.8503 54.0555 32.1418 172.9530 69 L 4.8786 8.7162 123.5098 54.4047 42.3962 176.5279 70 V 4.5698 8.7854 116.4638 59.5276 36.2415 175.9154 71 L 4.2345 8.3483 120.0145 55.1919 41.7237 177.0006 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 8.16 4.42 0.00 2.37 1.98 0.00 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 2 Q 8.46 4.95 0.00 2.08 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.61 0.00 0.00 0.00 0.00 0.00 1.62 2.10 0.00 3 I 9.09 4.66 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.45 0.79 0.00 0.00 4 F 8.91 5.41 0.00 3.04 2.91 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 0.00 0.00 0.00 5 V 9.13 4.82 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 0.80 0.00 0.00 0.93 0.00 0.00 6 K 8.91 5.13 0.00 1.74 1.75 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.35 7.81 7 T 8.79 4.66 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 1.28 0.00 0.00 8 L 8.44 3.96 0.00 1.66 1.79 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.88 4.14 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 10 G 8.29 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 11 K 7.78 4.13 0.00 1.81 1.70 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.43 7.81 12 T 8.48 4.87 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 1.25 0.00 0.00 13 I 9.11 4.54 1.99 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 1.25 0.75 0.93 0.00 0.00 14 T 8.61 5.08 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 1.21 0.00 0.00 15 L 8.71 4.81 0.00 1.45 1.45 0.90 0.83 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 16 E 8.68 4.86 0.00 1.91 1.81 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 2.18 2.35 0.00 17 V 8.79 4.70 2.14 0.00 0.00 0.00 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 0.89 0.00 0.00 18 E 9.40 4.71 0.00 1.80 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 2.18 2.22 0.00 19 P 0.00 4.17 0.00 2.15 2.09 0.00 3.56 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 2.09 2.06 0.00 20 S 7.88 4.40 0.00 3.96 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 21 D 8.01 4.39 0.00 2.89 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.23 4.72 4.47 0.00 0.00 0.00 0.00 0.00 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 23 I 8.50 3.76 2.20 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 1.80 1.12 0.92 0.00 0.00 24 E 8.25 3.93 0.00 2.19 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 2.31 2.36 0.00 25 N 8.00 4.33 0.00 3.00 2.84 0.00 0.00 6.67 7.26 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 26 V 7.61 3.58 2.23 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 1.01 0.00 0.00 0.96 0.00 0.00 27 K 8.66 4.40 0.00 1.97 1.85 0.00 1.83 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.64 1.51 7.81 28 A 7.93 4.03 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 29 K 7.90 3.97 0.00 1.99 1.86 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.67 7.81 30 I 7.96 3.74 2.15 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 1.41 0.86 0.95 0.00 0.00 31 Q 8.11 4.15 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 32 D 7.88 4.41 0.00 2.86 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 33 K 7.88 4.17 0.00 1.91 1.87 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.54 1.62 7.81 34 E 8.35 4.66 0.00 1.88 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 2.43 0.00 35 G 8.30 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 36 I 7.42 4.07 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.15 0.92 0.00 0.00 37 P 0.00 4.42 0.00 2.28 1.98 0.00 3.62 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.23 0.00 2.17 2.12 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.07 4.58 0.00 2.79 2.79 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 40 Q 8.01 4.47 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 41 Q 7.92 4.33 0.00 2.28 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 42 R 8.51 4.74 0.00 1.84 1.96 0.00 3.14 0.00 0.00 3.33 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 43 L 8.51 5.43 0.00 1.59 1.51 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.48 5.63 1.90 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 1.30 1.26 0.90 0.00 0.00 45 F 8.21 5.04 0.00 3.02 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 46 A 9.18 3.44 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.17 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 0.00 0.00 0.00 48 K 7.80 4.41 0.00 1.88 1.75 0.00 1.83 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.60 7.81 49 Q 8.52 4.55 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 50 L 8.47 3.98 0.00 1.40 1.24 0.81 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.59 4.46 0.00 2.02 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 0.00 2.36 2.43 0.00 52 D 9.21 4.39 0.00 2.76 2.77 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 53 G 8.08 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 54 R 8.02 4.48 0.00 2.16 1.57 0.00 3.09 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 55 T 8.42 5.03 4.45 0.00 0.00 0.00 0.00 0.00 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 56 L 8.46 4.12 0.00 1.86 1.69 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.25 4.07 0.00 3.84 3.82 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 58 D 7.71 4.19 0.00 2.55 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 0.00 0.00 0.00 0.00 59 Y 7.30 4.63 0.00 3.03 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 60 N 8.18 4.24 0.00 2.94 3.08 0.00 0.00 7.13 8.12 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 61 I 7.78 3.31 1.79 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.27 0.55 0.00 0.00 62 Q 8.42 4.72 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.96 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 63 K 8.39 4.17 0.00 1.73 1.74 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.44 7.81 64 E 9.20 3.94 0.00 2.18 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.51 0.00 65 S 7.89 4.58 0.00 3.67 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.74 5.22 4.35 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 1.18 0.00 0.00 67 L 9.31 5.08 0.00 1.55 1.58 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.92 5.34 0.00 3.06 3.15 0.00 5.61 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.72 4.88 0.00 1.76 1.62 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.79 4.57 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 0.69 0.00 0.00 0.99 0.00 0.00 71 L 8.35 4.23 0.00 1.62 1.56 0.92 0.80 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