NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 80 D 4.6612 8.2233 120.5332 54.0229 42.1835 175.7540 81 S 3.9653 8.8393 121.6727 60.8700 62.8113 173.0954 82 E 3.9961 8.4324 121.7654 59.4026 29.7785 178.0288 83 E 3.9540 8.0900 118.8009 59.2459 29.7474 178.2379 84 E 4.2223 8.1824 120.8188 58.5371 29.5968 178.5089 85 L 4.1424 8.1141 120.5056 58.3180 42.1617 179.2050 86 K 4.1228 8.2617 118.3774 59.3882 31.9366 179.2443 87 E 3.9647 8.2398 118.8576 59.3081 29.3282 179.1315 88 A 4.0107 8.2140 120.8403 55.0891 18.5051 179.3604 89 F 4.1162 8.8186 119.5123 61.7329 39.2844 177.6178 90 R 3.6985 8.2403 116.7473 58.9914 29.8357 178.9960 91 V 3.5652 7.4520 117.5069 65.9469 31.5798 177.8456 92 F 4.5283 7.6700 116.5311 59.4860 39.6044 175.9033 93 D 4.4378 7.6071 119.4939 52.4083 39.5301 176.4100 94 K 3.8220 8.1258 125.9236 59.0032 32.7110 177.7022 95 D 4.2891 8.0800 116.4848 55.3562 41.4348 175.4033 96 Q 3.5320 7.6777 118.4268 57.5528 27.4783 173.0807 97 N 4.8651 8.6493 111.0205 52.4593 38.1923 174.9806 98 G 4.0642 10.0175 106.7885 45.7361 0.0000 173.3372 99 F 5.1614 8.7003 115.9574 55.7530 43.6509 173.9617 100 I 4.6362 8.9342 122.6711 59.8334 39.0159 175.0741 101 S 5.5611 8.7750 122.0485 55.9221 65.2719 175.2715 102 A 4.2401 8.8113 123.8068 55.3850 18.1014 180.0318 103 A 4.2704 7.9818 118.5627 55.5021 18.5458 179.5987 104 E 3.9348 8.0440 116.5053 59.5208 29.5640 179.2360 105 L 4.0763 9.2793 120.9190 58.0274 42.1334 178.9450 106 R 3.8920 9.0731 119.7714 59.7003 29.9488 178.0441 107 H 4.1058 8.4247 118.0634 59.1657 29.7828 177.3977 108 V 3.6375 8.0575 120.1175 66.4265 31.2894 177.9919 109 M 4.1381 8.4421 118.6068 58.5487 31.8452 178.9606 110 T 3.9787 7.9600 116.0645 66.6652 68.4180 176.2722 111 N 4.2645 8.1702 118.0662 56.4928 39.0726 176.1829 112 L 4.0476 7.9073 121.3328 56.6765 41.9882 178.0238 113 G 3.9420 7.8835 105.2819 45.1932 0.0000 172.5359 114 E 4.5937 7.6274 118.0827 54.0489 31.5023 175.9824 115 K 4.3744 8.4400 123.4068 54.6721 32.9092 175.0929 116 L 4.7104 8.0576 125.2383 53.4567 43.6901 177.5543 117 T 4.3269 8.3276 118.0226 62.9429 70.6202 176.0873 118 D 4.3655 8.4768 121.8475 57.6139 40.7754 178.7580 119 E 3.9211 8.1004 119.3783 59.2449 29.6484 178.5979 120 E 3.9266 8.0865 118.2161 59.2855 29.6521 179.2731 121 V 3.5661 7.9160 118.2985 65.9806 31.4149 177.5927 122 D 4.2827 8.6232 118.0342 57.3627 41.1015 177.5679 123 E 4.0082 8.6907 120.2451 59.6572 29.6033 178.5047 124 M 3.9862 8.2826 118.1932 58.6361 32.3086 178.3265 125 I 3.7475 7.8027 119.9121 64.5757 37.1175 178.7359 126 R 3.9730 8.7937 118.7160 59.1571 29.9374 178.4523 127 E 4.0352 8.6997 118.6046 58.7026 29.7335 177.8989 128 A 4.5334 7.8460 118.4450 51.5746 19.2849 176.3829 129 D 4.9277 7.5752 116.8815 52.1329 41.0816 176.0046 130 V 3.9949 8.3137 120.6693 63.1954 32.6033 177.1200 131 D 4.5740 8.2444 117.1369 53.4100 41.0302 177.5632 132 G 4.0331 8.1989 105.9702 45.7654 0.0000 174.2440 133 D 4.3241 7.9125 119.1739 55.2347 39.1235 178.2946 134 G 4.0244 11.0195 107.2917 44.9303 0.0000 172.8482 135 Q 4.9066 8.5265 117.5933 54.1782 33.9447 174.0357 136 I 4.8858 8.5458 122.2001 59.7871 39.7435 175.4417 137 N 4.7438 8.7747 126.0574 52.7487 40.5746 175.2642 138 Y 3.1439 8.2078 121.3877 60.2554 38.6468 177.4059 139 E 3.5929 8.0206 118.4858 59.7254 29.1760 178.9436 140 E 3.8535 7.9477 119.9372 58.4975 29.6616 178.2254 141 F 4.0241 8.5921 121.1661 61.1773 39.4188 177.2258 142 V 3.3614 8.0250 118.4775 65.8307 31.2290 178.1764 143 K 3.8360 7.6829 118.1560 59.3954 31.6584 179.6146 144 V 3.4466 7.7389 117.6940 66.1975 31.5220 177.7306 145 M 3.9228 8.1785 118.4862 58.3593 31.7903 178.1410 146 M 4.1009 8.2931 117.5300 56.2812 32.6785 177.0307 147 A 4.2451 8.0275 117.7512 51.7011 19.6869 176.4483 148 K 3.9430 8.8468 123.3957 55.9150 32.2030 174.2692 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 80 D 8.22 4.66 0.00 2.89 2.71 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 0.00 0.00 0.00 81 S 8.84 3.97 0.00 3.96 3.95 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 82 E 8.43 4.00 0.00 2.11 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 2.44 2.53 0.00 83 E 8.09 3.95 0.00 2.09 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 0.00 2.39 2.37 0.00 84 E 8.18 4.22 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.22 0.00 85 L 8.11 4.14 0.00 1.93 2.04 1.15 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.26 4.12 0.00 2.00 1.71 0.00 1.65 0.00 0.00 1.39 0.00 0.00 2.86 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.61 1.65 7.81 87 E 8.24 3.96 0.00 2.27 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 2.33 2.56 0.00 88 A 8.21 4.01 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.82 4.12 0.00 3.44 3.41 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 90 R 8.24 3.70 0.00 1.94 1.91 0.00 3.21 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 91 V 7.45 3.57 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 0.58 0.00 0.00 0.85 0.00 0.00 92 F 7.67 4.53 0.00 2.85 2.80 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 93 D 7.61 4.44 0.00 2.06 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 0.00 0.00 0.00 0.00 94 K 8.13 3.82 0.00 1.69 1.77 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.32 1.42 7.81 95 D 8.08 4.29 0.00 2.72 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 96 Q 7.68 3.53 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 97 N 8.65 4.87 0.00 2.96 3.04 0.00 0.00 6.48 6.98 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 98 G 10.02 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 99 F 8.70 5.16 0.00 3.11 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.93 4.64 1.90 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.46 0.88 0.00 0.00 101 S 8.78 5.56 0.00 3.78 3.72 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 0.00 102 A 8.81 4.24 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 0.00 103 A 7.98 4.27 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 0.00 104 E 8.04 3.93 0.00 2.27 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 105 L 9.28 4.08 0.00 1.88 1.82 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 106 R 9.07 3.89 0.00 1.88 2.09 0.00 3.17 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 107 H 8.42 4.11 0.00 3.28 3.42 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.06 3.64 2.40 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 1.13 0.00 0.00 1.12 0.00 0.00 109 M 8.44 4.14 0.00 2.10 2.35 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.94 0.00 110 T 7.96 3.98 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 1.16 0.00 0.00 111 N 8.17 4.26 0.00 2.66 2.99 0.00 0.00 7.21 8.30 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 0.00 112 L 7.91 4.05 0.00 1.89 1.93 0.93 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.88 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 0.00 0.00 0.00 114 E 7.63 4.59 0.00 2.07 1.88 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 2.26 2.38 0.00 115 K 8.44 4.37 0.00 1.67 1.71 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.41 7.81 116 L 8.06 4.71 0.00 1.67 1.58 0.95 0.98 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 0.00 117 T 8.33 4.33 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 0.00 118 D 8.48 4.37 0.00 2.77 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 0.00 119 E 8.10 3.92 0.00 2.08 1.94 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 2.38 2.46 0.00 120 E 8.09 3.93 0.00 2.19 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 2.40 2.37 0.00 121 V 7.92 3.57 2.30 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 1.10 0.00 0.00 0.99 0.00 0.00 122 D 8.62 4.28 0.00 2.84 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 0.00 123 E 8.69 4.01 0.00 2.10 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 0.00 2.31 2.33 0.00 124 M 8.28 3.99 0.00 2.32 2.06 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 125 I 7.80 3.75 2.11 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 1.67 1.03 0.94 0.00 0.00 126 R 8.79 3.97 0.00 1.68 2.00 0.00 3.33 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 127 E 8.70 4.04 0.00 2.01 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 0.00 2.31 2.45 0.00 128 A 7.85 4.53 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 0.00 129 D 7.58 4.93 0.00 2.84 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 0.00 130 V 8.31 3.99 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 0.85 0.00 0.00 1.08 0.00 0.00 131 D 8.24 4.57 0.00 2.74 2.71 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 0.00 0.00 0.00 132 G 8.20 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 0.00 0.00 0.00 133 D 7.91 4.32 0.00 2.81 2.90 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 0.00 134 G 11.02 4.02 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 0.00 0.00 0.00 135 Q 8.53 4.91 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 136 I 8.55 4.89 2.07 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.85 1.21 0.00 0.00 137 N 8.77 4.74 0.00 2.63 2.62 0.00 0.00 5.19 7.10 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 0.00 138 Y 8.21 3.14 0.00 1.71 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.02 3.59 0.00 2.16 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 0.00 2.35 2.27 0.00 140 E 7.95 3.85 0.00 2.05 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 0.00 2.39 2.35 0.00 141 F 8.59 4.02 0.00 3.26 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 0.00 142 V 8.03 3.36 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 0.76 0.00 0.00 -0.17 0.00 0.00 143 K 7.68 3.84 0.00 1.91 1.76 0.00 1.66 0.00 0.00 1.52 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.53 7.81 144 V 7.74 3.45 1.86 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 0.67 0.00 0.00 0.87 0.00 0.00 145 M 8.18 3.92 0.00 1.77 1.93 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.33 0.00 146 M 8.29 4.10 0.00 1.88 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 147 A 8.03 4.25 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 148 K 8.85 3.94 0.00 1.64 1.57 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.38 7.81