NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 P 4.3587 0.0000 0.0000 62.1250 32.5428 177.4051 25 K 4.2677 8.6843 112.9397 54.0067 34.8013 177.4571 26 I 4.1726 8.0232 119.2185 61.1903 36.5301 173.6878 27 S 4.4272 7.9541 113.2420 59.2561 66.2141 176.7629 28 Y 4.6076 7.3996 122.6416 55.6255 40.1291 174.1467 29 K 4.5544 8.6715 118.1812 55.9651 34.4364 175.9651 30 K 4.1787 9.5966 117.1483 55.9255 30.8039 175.6115 31 G 4.0580 8.1806 105.8099 45.9708 0.0000 174.6662 32 A 3.9467 8.7736 121.0944 54.7035 19.3516 179.6590 33 A 3.9860 8.0135 119.0703 55.2316 18.3708 179.8956 34 S 4.1224 7.7618 113.7084 61.0595 63.3720 176.1629 35 N 3.8921 8.3557 120.4979 56.0357 38.2239 177.5855 36 R 4.0616 8.1036 119.6007 59.3073 30.2449 179.1557 37 T 3.8560 7.7859 109.5127 64.8636 68.6260 176.7138 38 K 3.9885 8.0400 121.6717 59.0875 31.8706 179.4338 39 F 4.7485 7.8344 119.4165 59.9463 38.8329 178.0426 40 V 3.6898 7.8996 118.1841 65.8945 31.2908 178.3969 41 R 3.9545 8.4062 118.5455 59.1771 29.7627 179.0040 42 S 4.1445 8.3833 114.3157 61.5470 62.7483 176.5073 43 L 3.9969 7.7261 122.6633 57.5189 41.3990 179.6611 44 V 3.5841 7.6313 117.4793 66.0911 31.4182 178.2773 45 R 3.9094 8.1660 117.7797 59.2928 29.8397 178.8893 46 E 3.9523 8.5539 118.7226 59.5338 29.4362 179.5236 47 I 3.6709 8.1400 119.9286 64.3913 36.9441 178.4313 48 A 4.0693 7.9226 120.7015 54.9667 18.2183 179.6398 49 G 3.6454 8.0154 103.8807 47.6112 0.0000 175.5302 50 L 4.2102 8.1356 123.1692 57.9157 41.9736 179.0831 51 S 4.1912 7.8064 108.5295 58.6871 62.3915 172.5789 52 P 4.4309 0.0000 0.0000 62.4823 33.0872 175.0599 53 Y 3.9338 7.6621 117.1430 58.3282 36.4404 167.3163 54 E 4.6285 9.8491 121.6506 58.6114 27.1806 177.3276 55 R 4.2862 8.0205 113.7601 59.9261 30.7419 178.2313 56 R 3.8766 8.2706 116.0008 59.2441 29.4089 178.5572 57 L 4.0887 7.9865 119.6306 57.4608 41.4860 179.5522 58 I 3.7778 7.7270 119.2128 64.2300 37.0790 177.8024 59 D 4.3190 8.2915 119.9790 57.4064 40.5973 178.9428 60 L 4.5514 7.3879 119.1771 57.5378 41.6342 179.7802 61 I 3.8334 7.4642 120.7000 63.7596 36.8158 178.7243 62 R 3.9316 8.4321 118.8498 59.1704 30.3336 178.4720 63 N 4.6291 8.0016 116.7126 56.0806 36.9657 177.4409 64 S 4.2653 8.4022 117.0451 60.5959 63.1867 175.2996 65 G 3.7417 8.3457 111.3182 44.8220 0.0000 172.2939 66 E 4.6514 7.5759 117.0851 55.1075 33.8134 176.2065 67 K 3.9823 8.5766 118.9097 59.8645 32.2527 177.5446 68 R 3.9068 9.3483 115.3145 56.3163 24.9503 174.1632 69 A 4.6944 7.0705 121.9045 52.3396 25.8385 179.0430 70 R 3.7975 7.9889 112.6393 59.0495 30.4364 179.5842 71 K 3.9844 7.9515 117.7744 59.3226 32.1131 179.4698 72 V 3.5625 7.7260 117.9125 65.8816 31.0426 177.8681 73 A 4.0099 7.5496 120.2507 55.0022 18.3614 179.7648 74 K 3.9900 7.7894 117.1553 59.6853 32.1975 179.7239 75 K 3.9532 8.0916 118.6569 59.5221 31.7574 179.6730 76 R 3.6068 8.0633 118.3605 58.9697 29.7339 179.1112 77 L 4.2130 7.7097 118.2424 57.7664 41.4378 179.6675 78 G 3.6623 7.7161 104.4533 47.7023 0.0000 175.5802 79 S 4.1780 7.6128 115.5089 62.1254 63.1460 175.9991 80 F 4.6544 7.6062 122.6798 57.3930 38.4956 175.4819 81 T 4.7052 7.9328 110.9924 61.9714 69.4547 174.8195 82 R 4.6761 8.1752 118.0603 57.4004 30.4294 176.7009 83 A 4.6982 7.8225 117.6665 51.1297 20.1544 178.4099 84 K 3.8202 8.4410 119.9926 60.5746 32.0161 178.5073 85 A 3.9959 7.4167 120.4526 55.1220 18.2082 179.7979 86 K 4.4102 7.8715 117.9292 59.0295 32.1396 179.4620 87 V 3.4710 7.3885 118.2669 66.0945 30.9294 177.8694 88 E 3.9324 8.1144 117.7136 59.3648 29.2499 178.9758 89 E 3.9677 8.1161 118.4779 59.8589 29.6116 179.4770 90 M 4.0514 8.0534 118.4123 58.3314 32.0032 178.5092 91 N 4.2928 8.2362 116.7058 56.5629 38.8559 177.1852 92 N 4.3309 7.7857 116.5895 56.4339 38.4951 177.5184 93 I 3.7427 7.6078 120.8061 64.4729 36.8560 178.6120 94 I 3.7352 8.0180 120.5015 64.0652 36.9108 178.2627 95 A 3.9759 8.3927 121.8724 55.1542 17.9913 179.3472 96 A 3.9341 7.9037 119.3044 54.9072 18.1862 179.0676 97 S 4.7152 7.5094 109.2867 58.4747 63.5012 174.7922 98 R 4.4877 7.3291 121.6970 57.3295 31.9957 177.4569 99 R 3.9136 8.0967 116.7260 58.8480 30.3500 176.1174 100 H 4.5799 7.7035 118.5593 55.7886 28.8954 174.3130 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 24 P 0.00 4.36 0.00 2.19 1.99 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.99 0.00 25 K 8.68 4.27 0.00 1.85 1.78 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.53 7.81 26 I 8.02 4.17 2.14 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.60 0.99 0.00 0.00 27 S 7.95 4.43 0.00 3.86 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 7.40 4.61 0.00 2.90 2.95 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 0.00 0.00 0.00 29 K 8.67 4.55 0.00 1.76 1.75 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.57 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.17 1.36 7.81 30 K 9.60 4.18 0.00 1.81 2.20 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.37 7.81 31 G 8.18 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.77 3.95 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 33 A 8.01 3.99 1.32 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 0.00 0.00 34 S 7.76 4.12 0.00 4.01 4.11 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 35 N 8.36 3.89 0.00 2.82 2.68 0.00 0.00 7.05 7.97 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 36 R 8.10 4.06 0.00 2.09 2.00 0.00 3.15 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 37 T 7.79 3.86 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 1.20 0.00 0.00 38 K 8.04 3.99 0.00 1.38 1.60 0.00 1.33 0.00 0.00 1.40 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.55 7.81 39 F 7.83 4.75 0.00 3.13 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 40 V 7.90 3.69 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 1.05 0.00 0.00 1.02 0.00 0.00 41 R 8.41 3.95 0.00 2.04 1.96 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 42 S 8.38 4.14 0.00 4.09 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 0.00 43 L 7.73 4.00 0.00 1.81 1.78 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.63 3.58 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 1.03 0.00 0.00 0.98 0.00 0.00 45 R 8.17 3.91 0.00 2.04 1.96 0.00 3.18 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 46 E 8.55 3.95 0.00 2.13 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 2.32 2.50 0.00 47 I 8.14 3.67 1.96 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 1.45 0.69 0.90 0.00 0.00 48 A 7.92 4.07 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 49 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 50 L 8.14 4.21 0.00 1.81 1.88 0.95 1.20 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 51 S 7.81 4.19 0.00 3.88 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 52 P 0.00 4.43 0.00 2.04 1.98 0.00 3.59 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.01 0.00 53 Y 7.66 3.93 0.00 3.22 2.99 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 0.00 0.00 0.00 54 E 9.85 4.63 0.00 2.03 2.48 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 2.22 2.27 0.00 55 R 8.02 4.29 0.00 2.14 2.19 0.00 3.14 0.00 0.00 3.36 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 56 R 8.27 3.88 0.00 2.05 2.23 0.00 2.98 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 57 L 7.99 4.09 0.00 1.84 1.77 0.93 0.80 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 58 I 7.73 3.78 1.99 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 1.64 1.04 0.95 0.00 0.00 59 D 8.29 4.32 0.00 2.90 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.39 4.55 0.00 1.96 1.70 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.46 3.83 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 1.53 1.56 0.91 0.00 0.00 62 R 8.43 3.93 0.00 1.82 1.98 0.00 3.31 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 63 N 8.00 4.63 0.00 2.89 3.06 0.00 0.00 6.79 8.11 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 64 S 8.40 4.27 0.00 4.06 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 65 G 8.35 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 0.00 0.00 0.00 66 E 7.58 4.65 0.00 2.12 1.84 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 2.20 2.36 0.00 67 K 8.58 3.98 0.00 1.73 1.86 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.46 7.81 68 R 9.35 3.91 0.00 1.91 2.22 0.00 3.20 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 69 A 7.07 4.69 1.20 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 0.00 0.00 0.00 70 R 7.99 3.80 0.00 1.84 1.95 0.00 3.11 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 71 K 7.95 3.98 0.00 1.78 1.84 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.48 7.81 72 V 7.73 3.56 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 1.04 0.00 0.00 0.92 0.00 0.00 73 A 7.55 4.01 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 74 K 7.79 3.99 0.00 1.94 1.93 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.66 7.81 75 K 8.09 3.95 0.00 1.89 1.78 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.60 7.81 76 R 8.06 3.61 0.00 2.01 2.00 0.00 3.17 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 77 L 7.71 4.21 0.00 1.90 1.78 1.04 1.00 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 78 G 7.72 3.66 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 0.00 0.00 0.00 79 S 7.61 4.18 0.00 3.82 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 80 F 7.61 4.65 0.00 3.04 2.81 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 81 T 7.93 4.71 4.28 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 1.29 0.00 0.00 82 R 8.18 4.68 0.00 1.78 1.96 0.00 3.22 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.65 0.00 83 A 7.82 4.70 1.18 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 0.00 0.00 84 K 8.44 3.82 0.00 1.88 1.84 0.00 1.61 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.75 7.81 85 A 7.42 4.00 1.33 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 0.00 0.00 0.00 0.00 0.00 86 K 7.87 4.41 0.00 1.74 1.81 0.00 1.99 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.35 7.81 87 V 7.39 3.47 2.02 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 1.06 0.00 0.00 0.79 0.00 0.00 88 E 8.11 3.93 0.00 2.12 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 2.38 2.56 0.00 89 E 8.12 3.97 0.00 2.09 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 2.32 2.42 0.00 90 M 8.05 4.05 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.82 0.00 91 N 8.24 4.29 0.00 2.85 2.85 0.00 0.00 7.07 6.51 0.00 0.00 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 N 7.79 4.33 0.00 3.06 2.86 0.00 0.00 7.10 7.13 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 93 I 7.61 3.74 2.02 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 1.53 0.97 0.92 0.00 0.00 94 I 8.02 3.74 1.98 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 1.46 0.88 0.91 0.00 0.00 95 A 8.39 3.98 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 96 A 7.90 3.93 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 S 7.51 4.72 0.00 4.00 3.99 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 0.00 0.00 0.00 98 R 7.33 4.49 0.00 1.85 1.98 0.00 3.20 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 99 R 8.10 3.91 0.00 1.68 1.94 0.00 3.10 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 100 H 7.70 4.58 0.00 3.13 3.17 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00