NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 M 4.3580 8.1627 120.6117 55.4413 34.0650 173.7456 102 L 4.8858 8.6301 128.4713 51.6757 42.9278 173.8491 103 I 5.1686 9.2059 121.4156 58.6533 41.2378 174.1184 104 K 5.1866 8.5727 121.1317 54.4529 35.7615 175.8606 105 V 4.8113 8.6288 123.4825 59.7281 34.3296 174.2919 106 K 4.5991 9.3085 128.0924 55.3650 33.5114 176.2361 107 T 4.4064 8.5283 122.0930 61.3300 69.0219 174.0535 108 L 4.4159 8.3829 122.4172 55.8036 41.5805 176.7009 109 T 4.5746 7.3229 103.8699 60.5982 69.6641 173.5756 110 G 3.9183 8.3380 109.0182 47.0677 0.0000 176.2101 111 K 3.7749 8.3783 121.5330 58.5782 32.4439 173.1381 112 E 3.7191 8.2998 128.2207 55.6624 27.4493 172.6117 113 I 4.5954 8.2908 119.3337 58.8787 40.8667 174.0838 114 E 4.9385 8.5963 124.2168 55.2224 31.1388 175.1550 115 I 4.7454 9.2127 126.3586 59.7442 42.0657 173.7115 116 D 5.3425 8.6594 125.0958 53.2231 41.8718 176.0072 117 I 4.7371 8.6690 123.6160 59.7601 41.7808 174.2579 118 E 4.7230 9.2788 124.7244 53.9478 31.5912 175.8844 119 P 3.7100 0.0000 0.0000 65.2765 31.8145 177.4895 120 T 4.1701 7.6447 111.0240 63.1185 67.9865 174.5315 121 D 4.5609 8.7206 122.6944 54.2494 41.6938 175.9280 122 K 4.7337 8.2761 121.0978 55.6474 33.6073 178.2342 123 V 3.5718 8.9707 121.6996 66.2944 31.3399 177.9137 124 E 3.8722 7.9120 118.5136 59.7748 29.3652 179.1230 125 R 4.0413 8.0196 118.2312 59.2608 30.2930 178.1924 126 I 3.6953 7.6302 119.6165 64.5055 36.9839 178.4908 127 K 4.2364 7.8519 120.0712 58.8542 31.9967 179.0318 128 E 4.0001 7.7512 117.5573 59.3734 29.3238 179.6256 129 R 3.8905 8.0981 118.0954 59.1451 30.0671 179.1546 130 V 3.5108 7.5893 117.5075 65.9871 31.4636 177.3336 131 E 4.1659 8.4845 119.2977 59.5939 29.2533 178.1293 132 E 3.6754 8.2933 118.1679 59.4498 29.6165 178.6619 133 K 4.2209 7.8042 116.7433 58.2467 32.7411 178.0946 134 E 4.5589 8.9858 116.8478 55.2364 30.5491 176.8358 135 G 3.7532 8.7436 107.7559 46.1391 0.0000 173.4804 136 I 4.1316 7.5829 120.6691 58.6541 37.3821 174.1344 137 P 4.3960 0.0000 0.0000 62.4609 31.7872 175.9994 138 P 4.3466 0.0000 0.0000 65.3934 31.6590 178.5518 139 Q 3.9877 8.2560 116.8302 58.5233 28.6493 177.2172 140 Q 4.5170 7.9513 113.1570 55.7977 28.9264 174.8881 141 Q 4.4129 7.7830 118.3381 55.1883 30.0859 174.9691 142 R 4.6191 8.2511 120.1153 54.5268 33.3863 174.2041 143 L 4.9312 8.3846 124.2715 53.7748 44.1916 176.1271 144 I 4.8809 8.5797 122.3015 59.8246 41.3308 173.5394 145 Y 4.8007 8.8314 128.6239 56.5039 41.1356 175.5326 146 S 3.6572 9.1606 119.8591 59.3177 61.7178 170.9130 147 G 4.3288 8.0337 116.4748 46.5195 0.0000 172.9242 148 K 4.0848 7.8802 119.8614 56.1709 32.4872 176.1162 149 Q 4.8828 8.3976 122.1147 54.4209 28.8719 174.1449 150 M 3.1101 7.8146 124.1762 55.5565 32.6042 175.7740 151 N 4.7001 10.2964 125.0446 52.4626 40.5387 175.2561 152 D 4.8945 8.8195 123.8886 53.9196 39.3333 176.9814 153 E 4.3698 9.0934 121.7900 56.8522 31.1603 176.0806 154 K 4.3857 7.7653 118.3185 55.5939 33.9836 175.1046 155 T 4.8997 9.7683 114.4021 60.2234 69.3584 174.9557 156 A 4.0463 8.9178 129.4737 55.5800 18.8337 180.1494 157 A 3.9914 8.0377 117.5828 55.5622 18.1735 179.2939 158 D 4.1411 7.7631 116.1047 57.3694 40.8243 178.0745 159 Y 4.5692 7.4873 114.0398 56.5478 38.6285 175.5786 160 K 3.8997 8.5980 118.1341 57.4718 30.2672 175.7935 161 I 3.7534 7.6753 118.1344 60.7283 38.2195 176.3298 162 L 4.3797 8.9023 124.9104 53.6978 45.3012 179.1770 163 G 3.8387 9.2274 113.0587 46.7383 0.0000 174.0732 164 G 3.6822 8.9061 112.5158 47.5553 0.0000 174.0994 165 S 4.2919 7.6983 114.6691 58.6308 64.0581 173.9536 166 V 4.9250 8.6251 121.3753 61.3381 33.4242 174.5571 167 L 5.0377 9.0882 128.0652 53.6851 44.4976 175.0928 168 H 5.3648 8.6763 118.3347 53.9894 31.9547 173.1345 169 L 4.9344 8.7917 124.1091 54.5122 42.4254 176.4927 170 V 4.6254 8.5280 122.1702 60.6499 35.1382 173.5903 171 L 4.3997 8.1110 120.2686 54.2703 44.6724 173.4271 172 A 4.7686 8.2667 123.4508 50.1419 21.8744 175.4375 173 L 4.8297 8.2481 120.8381 53.0152 44.5300 177.2380 174 R 4.0114 8.7268 121.8285 59.1277 30.3683 177.4857 175 G 3.8776 7.9111 104.4739 45.9420 0.0000 173.3685 176 G 3.7409 8.2230 106.8055 46.2331 0.0000 173.5437 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 8.16 4.36 0.00 2.45 2.00 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 102 L 8.63 4.89 0.00 1.71 1.55 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 103 I 9.21 5.17 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.76 0.88 0.00 0.00 104 K 8.57 5.19 0.00 1.71 1.68 0.00 1.60 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.33 7.81 105 V 8.63 4.81 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.95 0.00 0.00 106 K 9.31 4.60 0.00 1.67 1.73 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.41 1.37 7.81 107 T 8.53 4.41 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 1.28 0.00 0.00 108 L 8.38 4.42 0.00 1.63 1.64 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 109 T 7.32 4.57 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 1.21 0.00 0.00 110 G 8.34 3.92 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 0.00 0.00 0.00 111 K 8.38 3.77 0.00 1.73 1.84 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.42 7.81 112 E 8.30 3.72 0.00 2.14 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 2.16 2.27 0.00 113 I 8.29 4.60 1.86 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 1.27 0.52 0.93 0.00 0.00 114 E 8.60 4.94 0.00 1.99 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 0.00 2.22 2.43 0.00 115 I 9.21 4.75 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.73 0.89 0.00 0.00 116 D 8.66 5.34 0.00 2.54 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 8.67 4.74 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.49 0.93 0.00 0.00 118 E 9.28 4.72 0.00 1.99 1.82 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 2.22 2.39 0.00 119 P 0.00 3.71 0.00 2.16 2.13 0.00 3.57 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 120 T 7.64 4.17 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 1.21 0.00 0.00 121 D 8.72 4.56 0.00 2.75 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 0.00 122 K 8.28 4.73 0.00 1.83 1.73 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.43 7.81 123 V 8.97 3.57 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 0.94 0.00 0.00 1.12 0.00 0.00 124 E 7.91 3.87 0.00 2.38 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 2.32 2.36 0.00 125 R 8.02 4.04 0.00 1.94 2.00 0.00 3.35 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 126 I 7.63 3.70 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.11 0.87 0.00 0.00 127 K 7.85 4.24 0.00 1.99 1.84 0.00 1.94 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.67 1.36 7.81 128 E 7.75 4.00 0.00 2.22 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 2.33 2.54 0.00 129 R 8.10 3.89 0.00 1.98 1.96 0.00 3.29 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.77 0.00 130 V 7.59 3.51 2.36 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 1.02 0.00 0.00 0.99 0.00 0.00 131 E 8.48 4.17 0.00 2.15 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 2.33 0.00 132 E 8.29 3.68 0.00 2.03 2.27 0.00 0.00 0.00 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 2.39 0.00 133 K 7.80 4.22 0.00 1.89 1.83 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.61 7.81 134 E 8.99 4.56 0.00 1.95 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 2.25 2.43 0.00 135 G 8.74 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 0.00 136 I 7.58 4.13 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 1.41 0.62 0.91 0.00 0.00 137 P 0.00 4.40 0.00 2.17 2.01 0.00 3.60 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 138 P 0.00 4.35 0.00 2.17 2.10 0.00 3.60 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 139 Q 8.26 3.99 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.34 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 140 Q 7.95 4.52 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.30 0.00 141 Q 7.78 4.41 0.00 2.28 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 142 R 8.25 4.62 0.00 1.83 1.80 0.00 3.27 0.00 0.00 3.33 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 143 L 8.38 4.93 0.00 1.51 1.49 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.58 4.88 1.89 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 1.11 1.02 0.96 0.00 0.00 145 Y 8.83 4.80 0.00 2.94 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 0.00 146 S 9.16 3.66 0.00 3.89 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 G 8.03 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 0.00 0.00 0.00 0.00 148 K 7.88 4.08 0.00 2.11 1.98 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.74 7.81 149 Q 8.40 4.88 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 150 M 7.81 3.11 0.00 1.49 1.83 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.88 0.00 151 N 10.30 4.70 0.00 2.79 2.89 0.00 0.00 6.52 8.37 0.00 0.00 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 D 8.82 4.89 0.00 2.93 2.87 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 0.00 153 E 9.09 4.37 0.00 1.89 2.15 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 2.24 2.30 0.00 154 K 7.77 4.39 0.00 1.99 1.88 0.00 1.57 0.00 0.00 1.32 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.40 7.81 155 T 9.77 4.90 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 1.34 0.00 0.00 156 A 8.92 4.05 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 0.00 157 A 8.04 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 D 7.76 4.14 0.00 2.72 2.35 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 0.00 159 Y 7.49 4.57 0.00 2.94 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 0.00 160 K 8.60 3.90 0.00 2.04 1.98 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.45 7.81 161 I 7.68 3.75 1.83 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.26 0.70 0.00 0.00 162 L 8.90 4.38 0.00 1.66 1.54 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 163 G 9.23 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 164 G 8.91 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.70 4.29 0.00 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 0.00 166 V 8.63 4.92 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 0.74 0.00 0.00 1.02 0.00 0.00 167 L 9.09 5.04 0.00 1.55 1.54 0.81 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 168 H 8.68 5.36 0.00 3.14 3.18 0.00 5.80 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 8.79 4.93 0.00 1.64 1.60 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 170 V 8.53 4.63 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 0.66 0.00 0.00 0.93 0.00 0.00 171 L 8.11 4.40 0.00 1.56 1.54 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 172 A 8.27 4.77 1.19 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 0.00 0.00 0.00 173 L 8.25 4.83 0.00 1.59 1.56 0.92 0.94 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 0.00 174 R 8.73 4.01 0.00 1.80 1.98 0.00 3.22 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 175 G 7.91 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 176 G 8.22 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