NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 M 4.3660 8.1627 120.6114 55.4107 34.2068 173.9359 102 L 4.9654 8.5569 127.3307 51.7107 43.0224 173.6826 103 I 4.5192 9.2027 121.4173 59.0111 41.3102 174.1303 104 K 5.1017 8.3205 122.7150 54.7122 34.9155 175.7769 105 V 4.4771 8.4849 125.7674 58.9142 31.8912 173.8984 106 K 3.8744 8.5714 129.3755 57.7127 33.2655 176.4636 107 T 4.3585 8.4943 122.9132 61.6530 69.0003 173.9649 108 L 4.5647 8.3909 123.9950 55.5182 41.2170 177.0381 109 T 4.5855 7.3431 104.9564 60.8022 69.5672 174.1759 110 G 4.1386 8.0123 108.0020 46.9853 0.0000 175.7138 111 K 3.7964 7.5896 122.8237 58.1517 32.1684 173.6226 112 E 3.5749 8.1674 126.2143 55.7586 27.1287 172.5978 113 I 4.4745 7.6976 118.4246 59.1388 40.5145 174.0301 114 E 4.9879 8.5764 124.2692 55.0224 31.3916 174.9602 115 I 4.7342 9.3069 126.3837 59.7304 42.1887 174.0367 116 D 5.1147 8.6591 124.4669 53.1371 41.7685 176.1169 117 I 4.6698 8.7785 124.6298 59.5878 41.1235 174.9100 118 E 4.5309 8.8714 126.0407 54.1612 31.0808 175.6620 119 P 4.6661 0.0000 0.0000 61.9472 30.8457 176.7509 120 T 4.7529 9.8331 107.5369 62.4673 72.3202 173.0081 121 D 4.4817 8.0862 122.4221 54.1049 41.4514 176.0021 122 K 4.4027 8.6274 123.7097 56.6689 33.0285 177.8231 123 V 3.5708 9.3998 122.7823 66.4987 30.8200 178.0168 124 E 3.8421 7.7594 117.9050 59.7736 29.3312 179.0738 125 R 3.9701 8.1610 118.4027 59.2391 29.7518 178.2594 126 I 3.7120 7.9978 120.0645 64.3610 36.9697 178.5819 127 K 3.9871 7.9173 118.7338 59.5505 32.0387 178.9949 128 E 4.0289 7.8524 117.9496 59.5653 29.1592 179.7674 129 R 3.9083 8.0760 118.1615 59.0262 30.0633 179.3006 130 V 3.5306 7.3801 117.5410 66.0787 31.5700 177.6978 131 E 4.0605 8.5438 119.4707 59.1617 29.1098 178.4446 132 E 3.8979 8.1261 118.7994 59.2835 29.8535 178.6250 133 K 4.1974 7.7171 116.7785 58.1171 32.3684 178.1110 134 E 4.6390 8.7565 116.6941 54.8349 31.2698 176.5820 135 G 3.7180 8.2365 106.8245 46.3620 0.0000 173.8228 136 I 4.1342 7.6081 121.2047 58.4591 37.0689 173.8126 137 P 4.3276 0.0000 0.0000 62.4040 31.8909 175.9315 138 P 4.2843 0.0000 0.0000 65.6574 31.7013 178.3534 139 Q 4.0235 8.3228 116.5628 58.7012 28.6175 178.4723 140 Q 4.6724 7.6973 114.0429 56.1463 29.2139 175.2138 141 Q 4.6182 7.7808 116.5257 55.3306 31.4405 176.2156 142 R 4.5048 8.1249 119.5359 54.3793 33.2212 174.3636 143 L 4.7346 8.3176 124.1628 54.4735 43.7699 176.5702 144 I 4.7218 8.7297 122.3525 60.1744 41.2122 173.4883 145 Y 4.7476 8.5157 129.8528 56.6852 39.9474 176.2991 146 S 3.2964 9.5184 116.9460 59.5714 60.9413 170.1883 147 G 4.0144 7.6946 119.1361 46.4221 0.0000 171.5163 148 K 3.8358 7.6359 118.4922 56.2993 32.7999 175.6939 149 Q 4.7772 8.4404 120.7286 54.4383 30.0021 175.1708 150 M 3.0604 7.8015 124.0460 55.8856 32.8550 175.5367 151 N 4.8559 9.8668 123.1566 51.4873 40.2886 175.9156 152 D 4.7568 8.7925 123.4477 53.9423 38.8788 177.0645 153 E 4.5022 8.6285 121.3554 56.6388 31.7677 175.9054 154 K 4.4519 7.7907 117.5949 55.4406 34.5396 174.8893 155 T 4.9430 8.4275 112.5034 60.2827 70.2514 175.0098 156 A 4.0054 8.5549 129.1369 55.5792 18.8275 180.2921 157 A 4.0271 8.1235 118.0326 55.3640 18.7283 179.0692 158 D 4.3365 7.9905 115.0775 57.3947 40.9111 177.4220 159 Y 4.5419 7.9285 113.2427 57.1496 38.1596 175.4395 160 K 3.9657 8.6287 118.2313 57.4301 29.9941 175.8879 161 I 3.6851 7.7172 120.3442 61.0873 37.4282 175.8806 162 L 4.7430 8.1834 123.8547 54.0107 46.6998 177.4283 163 G 3.8833 8.4695 110.6171 47.0564 0.0000 175.0699 164 G 3.9384 8.4827 107.4810 45.3465 0.0000 173.4111 165 S 4.4811 7.7826 114.6928 57.8946 64.9211 173.8446 166 V 4.4999 8.4996 122.7151 61.7034 32.6539 174.7884 167 L 4.9263 8.8442 128.0559 53.5067 44.5885 175.0390 168 H 5.3577 8.7052 118.6112 53.9606 31.9297 173.2366 169 L 4.7987 8.6653 123.8381 54.6689 42.4129 176.4917 170 V 4.6199 8.4301 121.5978 60.8265 35.0809 173.6852 171 L 4.4162 8.2217 119.6917 54.0369 44.5846 173.5296 172 A 4.8372 8.3925 125.6722 50.2006 21.5271 175.8223 173 L 4.8654 8.1555 120.2962 53.0301 44.9068 177.2845 174 R 4.0344 8.7251 121.3845 59.0755 30.4120 177.5683 175 G 3.8498 7.9537 104.4055 45.7155 0.0000 173.4255 176 G 3.7468 8.2236 106.9259 46.2846 0.0000 173.5588 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 4.37 0.00 2.42 1.98 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 102 L 8.56 4.97 0.00 1.71 1.54 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 103 I 9.20 4.52 1.78 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 1.15 0.56 0.90 0.00 0.00 104 K 8.32 5.10 0.00 1.63 1.70 0.00 1.60 0.00 0.00 1.92 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.32 1.32 7.81 105 V 8.48 4.48 2.03 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 0.69 0.00 0.00 0.94 0.00 0.00 106 K 8.57 3.87 0.00 1.76 1.71 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.40 7.81 107 T 8.49 4.36 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 1.31 0.00 0.00 108 L 8.39 4.56 0.00 1.63 1.63 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 109 T 7.34 4.59 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 8.01 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 0.00 0.00 0.00 0.00 111 K 7.59 3.80 0.00 1.92 1.85 0.00 1.90 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.38 7.81 112 E 8.17 3.57 0.00 2.14 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 2.16 2.26 0.00 113 I 7.70 4.47 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 1.33 0.59 0.92 0.00 0.00 114 E 8.58 4.99 0.00 1.98 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 2.20 2.30 0.00 115 I 9.31 4.73 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 1.21 0.48 0.89 0.00 0.00 116 D 8.66 5.11 0.00 2.54 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 8.78 4.67 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 0.57 0.89 0.00 0.00 118 E 8.87 4.53 0.00 2.18 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 2.25 2.40 0.00 119 P 0.00 4.67 0.00 2.03 2.08 0.00 3.68 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 2.03 2.08 0.00 120 T 9.83 4.75 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 8.09 4.48 0.00 2.82 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 0.00 122 K 8.63 4.40 0.00 1.83 1.76 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.45 7.81 123 V 9.40 3.57 2.21 0.00 0.00 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 1.15 0.00 0.00 124 E 7.76 3.84 0.00 2.43 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 2.37 0.00 125 R 8.16 3.97 0.00 1.92 1.97 0.00 3.35 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 126 I 8.00 3.71 1.97 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 1.50 1.04 0.86 0.00 0.00 127 K 7.92 3.99 0.00 1.98 1.84 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.51 7.81 128 E 7.85 4.03 0.00 2.18 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 2.33 2.54 0.00 129 R 8.08 3.91 0.00 2.01 1.96 0.00 3.28 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.76 0.00 130 V 7.38 3.53 2.33 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 1.03 0.00 0.00 0.98 0.00 0.00 131 E 8.54 4.06 0.00 2.18 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 2.30 2.32 0.00 132 E 8.13 3.90 0.00 2.14 2.13 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 2.32 2.35 0.00 133 K 7.72 4.20 0.00 1.71 1.84 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.46 7.81 134 E 8.76 4.64 0.00 1.95 1.95 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 2.22 2.41 0.00 135 G 8.24 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 0.00 0.00 0.00 136 I 7.61 4.13 1.86 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 0.63 0.91 0.00 0.00 137 P 0.00 4.33 0.00 2.17 2.03 0.00 3.61 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 2.15 0.00 138 P 0.00 4.28 0.00 2.17 2.11 0.00 3.62 0.00 0.00 3.96 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 8.32 4.02 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.56 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 140 Q 7.70 4.67 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.61 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 141 Q 7.78 4.62 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.42 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.61 0.00 142 R 8.12 4.50 0.00 1.82 1.81 0.00 3.28 0.00 0.00 3.33 7.11 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 8.32 4.73 0.00 1.53 1.50 0.86 0.70 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 0.00 144 I 8.73 4.72 2.00 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 1.10 0.69 0.96 0.00 0.00 145 Y 8.52 4.75 0.00 2.79 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 0.00 146 S 9.52 3.30 0.00 3.85 3.49 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 0.00 0.00 0.00 0.00 147 G 7.69 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 0.00 0.00 0.00 148 K 7.64 3.84 0.00 2.06 1.99 0.00 1.84 0.00 0.00 1.96 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.57 7.81 149 Q 8.44 4.78 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 150 M 7.80 3.06 0.00 1.67 1.86 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.30 0.00 151 N 9.87 4.86 0.00 2.90 2.89 0.00 0.00 6.59 9.13 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 0.00 152 D 8.79 4.76 0.00 2.88 2.88 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 0.00 153 E 8.63 4.50 0.00 1.93 2.06 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 2.21 2.29 0.00 154 K 7.79 4.45 0.00 2.01 1.79 0.00 1.33 0.00 0.00 1.32 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.42 7.81 155 T 8.43 4.94 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 1.30 0.00 0.00 156 A 8.55 4.01 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 0.00 157 A 8.12 4.03 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 158 D 7.99 4.34 0.00 2.81 2.41 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 0.00 159 Y 7.93 4.54 0.00 2.98 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 0.00 160 K 8.63 3.97 0.00 2.07 2.05 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.46 7.81 161 I 7.72 3.69 1.86 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.47 0.63 0.00 0.00 162 L 8.18 4.74 0.00 1.81 1.50 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 163 G 8.47 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 0.00 164 G 8.48 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 0.00 165 S 7.78 4.48 0.00 3.97 4.17 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 0.00 166 V 8.50 4.50 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 0.75 0.00 0.00 0.96 0.00 0.00 167 L 8.84 4.93 0.00 1.55 1.50 0.79 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 168 H 8.71 5.36 0.00 3.14 3.18 0.00 5.80 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 8.67 4.80 0.00 1.44 1.59 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 170 V 8.43 4.62 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 0.64 0.00 0.00 0.93 0.00 0.00 171 L 8.22 4.42 0.00 1.56 1.52 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 172 A 8.39 4.84 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.87 0.00 1.60 1.55 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 174 R 8.73 4.03 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 1.62 1.62 0.00 175 G 7.95 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 0.00 176 G 8.22 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