NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 M 4.4495 8.3049 120.3267 54.8942 33.4108 175.1951 102 K 4.0102 8.4220 121.4902 55.3083 32.9350 174.7581 103 Q 4.3972 8.4718 122.0647 54.0988 31.1837 174.8616 104 R 4.0714 8.6035 126.8622 55.7202 30.1516 175.1873 105 I 4.3321 8.2075 119.5850 59.1927 39.0835 174.7758 106 T 4.3026 8.3739 119.5609 59.8162 69.4102 173.1739 107 V 4.0332 8.0667 129.1291 59.9490 31.3569 176.2897 108 T 4.0796 8.0305 116.3701 61.6641 67.8051 175.5559 109 V 4.9150 7.1437 135.0000 63.6935 30.1523 177.5012 110 D 4.9240 9.7195 117.3671 54.0837 39.7896 173.8391 111 S 4.5431 7.6012 110.9399 60.7759 66.5946 174.7747 112 D 4.1587 8.1302 115.3249 57.2064 40.0187 177.3473 113 S 4.9357 8.1173 117.7422 58.3027 66.5943 178.8718 114 Y 4.2722 7.9530 123.1713 60.6765 38.8684 175.7150 115 Q 3.1850 8.0785 118.0548 59.2793 28.1644 178.9030 116 L 3.8322 7.6512 119.9268 57.6188 41.7069 178.7994 117 L 3.4438 7.7309 119.7596 58.0145 41.6341 178.9765 118 K 3.7133 7.2724 117.6673 59.2833 32.4608 179.0050 119 A 3.9280 7.8821 121.9937 54.6270 18.2317 178.6406 120 Y 4.4165 7.6027 115.5684 57.7007 38.7917 176.6685 121 D 5.7184 6.0500 133.9396 54.4488 44.4998 176.3067 122 V 4.4724 6.9345 118.9864 61.2899 33.6441 174.2811 123 N 4.3337 8.9725 125.6705 54.4955 37.4980 175.8853 124 I 4.5493 8.6922 118.6366 60.6706 40.3732 177.4166 125 S 4.0349 8.0426 116.0381 62.1351 62.5966 176.2820 126 G 3.7506 7.8924 105.6302 46.7931 0.0000 175.2198 127 L 3.8567 7.7187 122.3508 58.4576 42.0007 178.3821 128 V 3.6418 8.5612 118.6557 66.5141 31.4166 177.8791 129 S 3.8854 7.8321 113.6762 62.0551 62.5388 177.0330 130 T 3.6420 7.7347 118.8542 66.7019 68.2620 176.7094 131 T 3.8007 8.6356 115.8415 65.2744 67.1411 175.8664 132 M 3.9893 8.9704 121.7409 58.6339 31.9801 178.3831 133 Q 3.8936 7.9310 119.3777 59.2494 29.1309 178.1533 134 N 4.3534 7.9768 117.6061 56.8912 39.0448 176.9107 135 E 4.0197 8.9021 119.9557 58.9021 29.1990 179.3903 136 A 3.9514 8.6946 121.5577 55.1607 18.6686 179.3275 137 R 4.0421 8.4073 116.0468 59.7620 30.3189 179.1005 138 R 4.2290 8.5079 116.6752 58.4728 30.3243 176.8043 139 L 3.6508 7.5135 119.3823 55.1558 39.5657 176.0289 140 R 4.5323 8.2175 125.1638 54.4726 30.9482 172.0359 141 A 3.8606 7.5005 120.7821 52.2487 18.4374 176.8475 142 E 4.6932 8.2883 121.1025 57.5464 33.3559 174.0041 143 R 4.4694 8.6302 118.5862 56.6683 33.1107 174.1124 144 W 3.3056 8.8013 118.9095 56.5884 25.3190 173.7582 145 K 4.6232 7.6406 116.9007 54.8561 36.0651 176.3958 146 V 4.3574 8.2120 122.4082 59.8609 33.8232 174.0688 147 E 4.7273 7.9789 116.5544 54.7943 32.9149 174.1687 148 N 4.6340 8.1945 114.0726 52.7944 40.6615 173.1740 149 Q 4.5346 7.6806 117.5030 55.2213 32.4643 172.5161 150 E 4.4123 8.5410 122.8248 54.9541 30.9701 176.2672 151 G 4.0821 8.3683 111.4389 43.9843 0.0000 172.6472 152 M 4.5955 8.2260 130.9677 56.9985 32.5392 175.0964 153 V 3.7430 8.8024 117.0862 62.9854 32.1712 170.3475 154 E 4.4233 7.8710 123.3136 54.4823 33.8223 175.3381 155 V 4.1224 5.4945 115.8807 61.5536 32.1124 171.7155 156 A 4.6384 8.3617 122.9584 53.1910 19.5196 177.6036 157 R 4.2405 8.2097 117.3843 54.5218 34.1353 175.1116 158 F 4.8441 6.7929 116.8434 56.0484 38.6839 173.3694 159 I 4.1079 8.0255 130.4095 61.5831 41.6411 174.1937 160 E 4.1543 7.6961 119.3420 56.1589 29.5505 176.0429 161 M 4.0006 7.8108 129.2829 54.7864 37.4431 175.0761 162 N 4.0670 8.2327 115.4523 54.4251 36.7035 176.3433 163 G 3.8517 7.5293 108.8745 44.4221 0.0000 174.9661 164 S 4.1844 7.2863 113.6184 56.1275 62.5421 172.6030 165 F 5.2331 6.5739 121.7263 55.7865 41.2529 173.0472 166 A 4.7974 9.5660 133.0619 53.0545 25.7164 179.8380 167 D 4.5408 9.3022 117.8868 57.4089 38.9629 174.9243 168 E 3.7922 8.0601 128.5515 56.7055 27.4736 174.5824 169 N 4.9025 7.6678 114.5996 51.6248 39.8939 173.4676 170 K 4.3603 7.8679 118.0245 55.3600 34.8908 173.9510 171 D 4.5633 8.5894 122.1285 53.8687 42.0570 176.0640 172 W 4.5627 8.8556 117.6322 56.6568 28.5331 176.2092 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 101 M 8.30 4.45 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 102 K 8.42 4.01 0.00 1.82 1.73 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.49 7.81 103 Q 8.47 4.40 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.02 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 104 R 8.60 4.07 0.00 1.80 1.82 0.00 3.24 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 105 I 8.21 4.33 1.84 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 1.26 0.76 0.92 0.00 0.00 106 T 8.37 4.30 4.16 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 0.00 0.00 1.17 0.00 0.00 107 V 8.07 4.03 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 0.71 0.00 0.00 0.85 0.00 0.00 108 T 8.03 4.08 4.19 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 0.00 0.00 0.00 1.15 0.00 0.00 109 V 7.14 4.92 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 0.99 0.00 0.00 0.80 0.00 0.00 110 D 9.72 4.92 0.00 2.83 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 0.00 111 S 7.60 4.54 0.00 3.84 3.81 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 0.00 112 D 8.13 4.16 0.00 2.81 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.12 4.94 0.00 3.83 3.83 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 0.00 114 Y 7.95 4.27 0.00 3.02 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 0.00 115 Q 8.08 3.19 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 116 L 7.65 3.83 0.00 1.66 1.73 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 117 L 7.73 3.44 0.00 1.56 1.70 0.96 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.27 3.71 0.00 1.90 1.78 0.00 1.16 0.00 0.00 1.17 0.00 0.00 2.69 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.44 1.16 7.81 119 A 7.88 3.93 1.23 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 0.00 0.00 120 Y 7.60 4.42 0.00 3.00 3.06 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 0.00 121 D 6.05 5.72 0.00 3.06 2.96 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 0.00 122 V 6.93 4.47 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 0.70 0.00 0.00 1.11 0.00 0.00 123 N 8.97 4.33 0.00 2.78 2.86 0.00 0.00 7.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 I 8.69 4.55 1.86 0.00 0.00 0.89 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 0.90 0.96 0.00 0.00 125 S 8.04 4.03 0.00 3.80 3.81 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 0.00 126 G 7.89 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 7.72 3.86 0.00 1.69 1.64 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 128 V 8.56 3.64 2.28 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 1.05 0.00 0.00 0.91 0.00 0.00 129 S 7.83 3.89 0.00 4.14 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 0.00 130 T 7.73 3.64 4.33 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 0.97 0.00 0.00 131 T 8.64 3.80 4.32 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 1.27 0.00 0.00 132 M 8.97 3.99 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 133 Q 7.93 3.89 0.00 2.11 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 134 N 7.98 4.35 0.00 2.86 2.93 0.00 0.00 7.23 8.99 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 0.00 135 E 8.90 4.02 0.00 2.30 1.98 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 0.00 2.33 2.37 0.00 136 A 8.69 3.95 1.29 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 0.00 0.00 0.00 137 R 8.41 4.04 0.00 1.99 2.06 0.00 3.25 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 138 R 8.51 4.23 0.00 2.01 1.97 0.00 3.35 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 139 L 7.51 3.65 0.00 1.94 1.67 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.22 4.53 0.00 1.82 1.82 0.00 3.39 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 141 A 7.50 3.86 1.28 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 0.00 0.00 0.00 142 E 8.29 4.69 0.00 2.15 1.91 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 2.19 2.25 0.00 143 R 8.63 4.47 0.00 1.93 2.29 0.00 3.52 0.00 0.00 3.63 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 144 W 8.80 3.31 0.00 3.59 3.14 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 0.00 145 K 7.64 4.62 0.00 1.71 1.68 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.54 7.81 146 V 8.21 4.36 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 0.78 0.00 0.00 0.92 0.00 0.00 147 E 7.98 4.73 0.00 2.01 1.91 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 2.16 2.32 0.00 148 N 8.19 4.63 0.00 2.67 2.75 0.00 0.00 6.73 7.08 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 0.00 149 Q 7.68 4.53 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 150 E 8.54 4.41 0.00 1.95 1.83 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 2.25 2.37 0.00 151 G 8.37 4.08 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 0.00 0.00 0.00 152 M 8.23 4.60 0.00 2.00 1.82 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.68 0.00 153 V 8.80 3.74 2.12 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 0.57 0.00 0.00 0.92 0.00 0.00 154 E 7.87 4.42 0.00 1.80 1.92 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 2.30 2.49 0.00 155 V 5.49 4.12 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 0.71 0.00 0.00 156 A 8.36 4.64 1.57 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 0.00 157 R 8.21 4.24 0.00 1.70 1.67 0.00 3.06 0.00 0.00 3.00 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.46 0.00 158 F 6.79 4.84 0.00 3.12 3.10 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 0.00 159 I 8.03 4.11 1.88 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 1.46 0.86 0.91 0.00 0.00 160 E 7.70 4.15 0.00 2.03 1.85 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 2.32 2.25 0.00 161 M 7.81 4.00 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 162 N 8.23 4.07 0.00 2.90 2.83 0.00 0.00 6.92 7.66 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 0.00 163 G 7.53 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 0.00 164 S 7.29 4.18 0.00 3.86 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 0.00 165 F 6.57 5.23 0.00 3.08 3.11 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 0.00 166 A 9.57 4.80 1.15 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 0.00 0.00 0.00 167 D 9.30 4.54 0.00 2.63 2.57 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 0.00 168 E 8.06 3.79 0.00 2.07 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 2.26 2.28 0.00 169 N 7.67 4.90 0.00 2.83 2.82 0.00 0.00 6.09 7.22 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 0.00 170 K 7.87 4.36 0.00 1.73 1.73 0.00 1.84 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.46 7.81 171 D 8.59 4.56 0.00 2.77 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 0.00 172 W 8.86 4.56 0.00 3.50 3.17 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 0.00 0.00 0.00