NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5096 N 4.6279 8.4244 118.1341 53.3388 39.5927 173.3829 5097 Y 4.1904 8.6102 125.6303 55.6733 38.6790 170.2466 5098 V 3.8541 8.1434 122.6132 59.7749 32.1028 176.0166 5099 V 3.2021 8.2351 124.7504 62.4267 31.6685 174.3388 5100 P 4.3613 0.0000 0.0000 62.4001 31.8973 176.0733 5101 K 4.3310 8.2027 119.7106 56.6148 33.2533 176.2440 5102 M 4.7659 7.9880 119.7384 55.0913 35.6919 174.6810 5103 R 5.5259 7.8076 116.7659 53.9205 31.0048 174.4961 5104 P 4.0121 0.0000 0.0000 64.3210 32.2183 176.3942 5105 Y 4.7165 7.2070 117.0995 56.5438 38.4181 174.3305 5106 A 5.0253 8.4175 126.1203 50.5730 19.3561 176.1329 5107 C 4.4932 9.0314 123.2981 58.5529 32.1219 173.1075 5108 P 4.4398 0.0000 0.0000 65.2290 31.6657 177.1422 5109 V 3.7085 7.1049 119.4398 62.7680 32.0276 176.6545 5110 E 4.1020 8.8064 126.4949 59.5299 29.4920 178.4472 5111 S 4.2700 8.0237 110.6136 59.4237 63.6545 173.0767 5112 C 4.6321 7.5317 121.2737 58.2028 32.1700 172.5945 5113 D 4.8559 8.5420 126.0150 54.0015 41.0046 176.2745 5114 R 3.9486 7.8016 120.8674 56.5847 31.1302 175.5086 5115 R 5.1058 7.9635 123.5410 54.5038 34.1364 174.2599 5116 F 4.9291 9.4124 120.6762 55.9566 42.7775 176.3925 5117 S 4.6304 9.1124 114.8301 59.3336 63.6099 175.3032 5118 R 4.7429 8.1543 118.9661 53.8396 32.5079 176.4754 5119 S 3.1508 8.0731 116.9077 61.3974 62.0753 176.2617 5120 D 4.2637 7.7672 121.0373 56.3195 39.1427 178.2697 5121 E 3.7524 7.9276 120.0988 59.0522 29.3121 179.0285 5122 L 3.0706 7.2723 119.8382 57.9821 42.0055 178.9399 5123 T 3.7957 7.3503 115.0749 66.3233 68.6633 176.4210 5124 R 3.9914 7.7766 120.7912 59.5764 30.0618 177.9692 5125 H 4.1506 7.9321 118.0871 59.4143 29.7377 177.2744 5126 I 3.7506 8.0930 121.5725 64.1478 36.5273 178.3613 5127 R 4.1615 7.7580 119.8322 57.9060 29.7779 178.9000 5128 I 3.7284 7.8284 120.6685 64.7321 36.9454 177.6888 5129 H 4.1069 8.0897 115.5404 59.1523 28.6620 176.7662 5130 T 4.0477 7.9353 108.3302 61.8310 69.1624 176.2780 5131 G 3.9450 8.0582 109.7795 45.9144 0.0000 173.9648 5132 Q 4.1591 7.3243 116.8365 56.5410 29.9763 177.5100 5133 K 4.7349 8.1696 117.0316 54.7805 33.7734 175.4051 5134 P 4.0806 0.0000 0.0000 64.4917 32.2567 176.6607 5135 F 4.8635 8.2152 117.9658 55.6954 40.8816 174.3724 5136 Q 5.2346 8.6869 124.8370 54.1308 32.0055 174.3202 5137 C 4.4709 8.7566 126.3704 59.0708 32.6154 174.3698 5138 R 4.2870 8.8932 123.1455 57.2678 29.6642 176.3410 5139 I 4.2653 7.1881 116.8516 62.3117 40.1922 175.8951 5140 C 4.3396 8.3209 117.9805 58.2892 30.4723 173.5317 5141 M 3.1398 7.3499 117.6500 56.9919 30.9897 176.0638 5142 R 4.6813 7.8617 115.5312 54.7197 33.0821 174.1718 5143 N 5.5252 8.4122 120.4348 51.8211 40.9740 174.3226 5144 F 4.7724 8.9188 120.1319 56.0208 42.8786 175.0083 5145 S 4.4180 9.2757 118.3881 61.4765 63.4419 175.0297 5146 R 4.2724 7.7315 120.5724 54.3690 30.8880 177.0404 5147 S 3.4074 7.6268 115.5513 60.5789 62.5987 176.3456 5148 D 4.2635 7.7191 120.9937 57.3182 39.0329 178.9576 5149 H 4.1241 7.8395 116.7388 58.5206 28.7249 177.4428 5150 L 3.6340 7.2755 121.4796 58.1936 41.7232 178.9407 5151 T 3.9055 7.8293 114.6081 65.9640 68.5233 176.6968 5152 T 4.0274 7.3292 118.5274 66.6556 68.7099 176.3593 5153 H 4.0124 7.8928 119.8707 59.4613 29.6952 177.1180 5154 I 3.7881 7.7822 120.8878 64.4638 37.2484 177.7531 5155 R 4.1604 7.8236 115.9036 58.6035 29.4518 178.4160 5156 T 3.9396 7.8724 116.0149 66.6990 68.4758 174.4547 5157 H 4.5332 7.9821 118.0657 55.4604 28.8705 175.1669 5158 T 4.1933 7.7059 117.6753 61.9655 68.9036 174.6999 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 5096 N 8.42 4.63 0.00 2.76 2.88 0.00 0.00 6.82 6.57 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 5097 Y 8.61 4.19 0.00 2.92 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5098 V 8.14 3.85 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 0.70 0.00 0.00 0.81 0.00 0.00 5099 V 8.24 3.20 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 0.85 0.00 0.00 1.14 0.00 0.00 5100 P 0.00 4.36 0.00 2.03 1.90 0.00 3.66 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 5101 K 8.20 4.33 0.00 1.72 1.72 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.43 7.81 5102 M 7.99 4.77 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 5103 R 7.81 5.53 0.00 1.76 1.79 0.00 3.35 0.00 0.00 3.21 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 5104 P 0.00 4.01 0.00 1.07 1.79 0.00 3.61 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.94 0.00 5105 Y 7.21 4.72 0.00 3.32 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 5106 A 8.42 5.03 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 5107 C 9.03 4.49 0.00 3.28 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 5108 P 0.00 4.44 0.00 2.22 2.20 0.00 3.89 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 5109 V 7.10 3.71 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 0.97 0.00 0.00 0.65 0.00 0.00 5110 E 8.81 4.10 0.00 2.01 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 2.30 0.00 5111 S 8.02 4.27 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5112 C 7.53 4.63 0.00 3.16 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 5113 D 8.54 4.86 0.00 2.68 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 5114 R 7.80 3.95 0.00 1.92 1.75 0.00 3.09 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.17 0.00 5115 R 7.96 5.11 0.00 1.54 1.87 0.00 3.17 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.75 0.00 5116 F 9.41 4.93 0.00 3.09 3.24 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 5117 S 9.11 4.63 0.00 3.97 4.01 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 5118 R 8.15 4.74 0.00 2.02 2.01 0.00 3.17 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 5119 S 8.07 3.15 0.00 2.72 3.26 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 5120 D 7.77 4.26 0.00 2.82 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 5121 E 7.93 3.75 0.00 2.10 1.73 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 2.32 2.28 0.00 5122 L 7.27 3.07 0.00 1.74 1.68 1.18 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 5123 T 7.35 3.80 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 1.17 0.00 0.00 5124 R 7.78 3.99 0.00 1.96 1.93 0.00 3.04 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 5125 H 7.93 4.15 0.00 3.17 3.24 0.00 5.84 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 5126 I 8.09 3.75 2.01 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 1.56 0.87 0.91 0.00 0.00 5127 R 7.76 4.16 0.00 2.14 2.00 0.00 3.20 0.00 0.00 3.32 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 5128 I 7.83 3.73 1.93 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 1.52 0.70 0.79 0.00 0.00 5129 H 8.09 4.11 0.00 3.25 3.38 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5130 T 7.94 4.05 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 1.28 0.00 0.00 5131 G 8.06 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 5132 Q 7.32 4.16 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 7.20 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 5133 K 8.17 4.73 0.00 1.78 1.81 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.62 7.81 5134 P 0.00 4.08 0.00 1.31 1.81 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 5135 F 8.22 4.86 0.00 3.33 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 5136 Q 8.69 5.23 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.63 0.00 5137 C 8.76 4.47 0.00 3.28 2.93 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 0.00 0.00 0.00 5138 R 8.89 4.29 0.00 1.86 1.97 0.00 3.22 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 5139 I 7.19 4.27 1.76 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.98 0.68 0.00 0.00 5140 C 8.32 4.34 0.00 3.15 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 5141 M 7.35 3.14 0.00 2.27 2.16 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 2.54 2.46 0.00 5142 R 7.86 4.68 0.00 2.01 1.88 0.00 3.20 0.00 0.00 3.43 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.57 0.00 5143 N 8.41 5.53 0.00 2.53 2.68 0.00 0.00 6.73 7.45 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 5144 F 8.92 4.77 0.00 2.93 2.93 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 0.00 0.00 0.00 5145 S 9.28 4.42 0.00 4.05 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 5146 R 7.73 4.27 0.00 1.77 1.86 0.00 3.12 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 5147 S 7.63 3.41 0.00 3.51 3.38 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 5148 D 7.72 4.26 0.00 2.75 2.85 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 5149 H 7.84 4.12 0.00 3.23 3.05 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5150 L 7.28 3.63 0.00 1.91 1.72 1.08 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 5151 T 7.83 3.91 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 5152 T 7.33 4.03 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 1.15 0.00 0.00 5153 H 7.89 4.01 0.00 3.08 3.10 0.00 5.82 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 5154 I 7.78 3.79 1.90 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 1.64 0.86 0.92 0.00 0.00 5155 R 7.82 4.16 0.00 2.00 2.15 0.00 2.75 0.00 0.00 3.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 5156 T 7.87 3.94 4.14 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 1.14 0.00 0.00 5157 H 7.98 4.53 0.00 3.27 3.15 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5158 T 7.71 4.19 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 1.22 0.00 0.00