NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 M 4.4692 8.3044 120.3327 55.1807 33.4000 174.6021 102 K 4.3307 8.4999 124.2499 54.2867 34.1213 174.2173 103 K 4.6118 9.0705 123.4194 56.5866 34.4372 175.1316 104 Y 4.8879 8.9704 120.7965 56.4169 41.3753 174.5532 105 T 5.0772 9.0113 117.3741 60.2110 70.8743 172.6281 106 C 3.6129 9.1090 129.0476 59.0089 31.9547 174.3254 107 T 4.0170 8.5287 117.0573 63.1470 69.0179 175.8890 108 V 3.8547 7.6007 122.0357 64.8916 31.8692 175.9526 109 C 4.6859 7.9394 109.8084 56.9893 30.7861 174.6476 110 G 3.9224 8.6191 109.3661 44.6696 0.0000 173.0789 111 Y 4.2424 7.8935 120.8881 58.6108 39.8463 174.9591 112 I 4.7248 7.4771 126.2672 59.5593 38.8433 174.5064 113 Y 4.2824 9.1886 130.0870 57.2309 40.0121 173.5368 114 N 4.9802 7.9207 126.0461 50.9519 40.5251 173.3985 115 P 4.0985 0.0000 0.0000 65.3588 31.9188 178.2957 116 E 3.7112 8.0049 118.1801 58.9049 29.4503 177.5944 117 D 4.5258 8.1240 117.1588 53.2684 42.3548 178.0137 118 G 4.0241 7.6353 106.8162 44.8439 0.0000 172.5412 119 D 4.9482 8.4305 112.3855 51.8037 41.4179 174.9739 120 P 4.4428 0.0000 0.0000 65.3181 32.0237 178.7378 121 D 4.4403 8.2045 116.3716 56.4476 40.8804 176.6072 122 N 4.9270 8.5212 115.6420 52.9506 39.0064 175.0832 123 G 3.7934 8.6660 105.5775 45.6410 0.0000 174.1685 124 V 4.1338 7.5484 119.5036 60.5348 32.5215 174.7195 125 N 4.8120 8.4107 125.1028 51.7926 39.3626 173.1382 126 P 4.2972 0.0000 0.0000 64.8552 31.7444 176.7622 127 G 3.8967 9.8594 111.6302 45.5500 0.0000 173.1061 128 T 4.2614 7.3974 116.5319 61.8109 69.2492 174.4718 129 D 4.5208 8.6104 126.2378 54.2110 42.2543 176.6555 130 F 3.4542 9.0626 127.5415 60.9884 39.2745 177.3798 131 K 3.8921 7.9178 117.6083 58.9299 32.4569 176.9299 132 D 4.5823 7.4670 117.7827 53.8432 41.4333 176.7961 133 I 3.3954 6.6528 121.1010 60.2604 37.5555 174.3166 134 P 4.2203 0.0000 0.0000 63.1413 31.6107 176.7753 135 D 4.5526 8.5665 120.8377 55.3457 41.0370 176.5341 136 D 4.7022 7.8001 117.9186 52.5650 40.0685 176.5090 137 W 4.1774 8.1640 130.7553 57.8435 31.1351 175.2144 138 V 4.1473 6.8053 116.2584 58.6103 35.2495 174.9057 139 C 3.5285 8.5393 121.7261 59.2210 31.5248 173.2292 140 P 4.1015 0.0000 0.0000 64.9455 31.3382 177.2853 141 L 4.2826 7.5742 118.2257 56.1448 42.2607 176.9160 142 C 4.5664 7.9943 108.9837 57.3333 30.7472 174.6252 143 G 3.7539 8.2380 108.8079 45.1160 0.0000 173.6462 144 A 4.0782 7.5558 123.4307 51.0745 19.1452 176.0211 145 P 4.7545 0.0000 0.0000 62.0789 32.3896 177.7158 146 K 4.3635 8.7179 118.7450 59.6528 32.0073 178.9289 147 D 4.7279 8.2249 116.3893 55.1221 39.6552 176.6793 148 Q 4.3628 8.6861 119.1051 56.6218 29.1808 175.1906 149 F 5.2461 8.3515 117.5168 56.5071 40.8508 174.8238 150 E 5.0179 9.0787 118.4762 54.5169 33.4620 174.2162 151 E 3.1518 8.2823 118.7220 55.9237 30.3743 176.5645 152 V 3.6654 8.6195 124.0021 62.7845 32.5295 175.3111 153 E 3.7354 8.5630 126.8855 56.5333 27.9908 173.8793 154 E 4.4030 7.8866 119.6544 56.9247 28.9565 175.2646 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 4.47 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.83 0.00 102 K 8.50 4.33 0.00 1.78 1.73 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.41 7.81 103 K 9.07 4.61 0.00 1.72 1.70 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.77 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.49 1.45 7.81 104 Y 8.97 4.89 0.00 2.65 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 0.00 105 T 9.01 5.08 4.23 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 1.17 0.00 0.00 106 C 9.11 3.61 0.00 2.31 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.53 4.02 4.21 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 1.21 0.00 0.00 108 V 7.60 3.85 2.02 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 0.82 0.00 0.00 0.90 0.00 0.00 109 C 7.94 4.69 0.00 3.07 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 0.00 110 G 8.62 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 Y 7.89 4.24 0.00 3.17 2.97 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 0.00 0.00 0.00 112 I 7.48 4.72 1.68 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 1.18 0.81 0.83 0.00 0.00 113 Y 9.19 4.28 0.00 3.58 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 0.00 114 N 7.92 4.98 0.00 2.61 2.55 0.00 0.00 6.93 7.71 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 0.00 115 P 0.00 4.10 0.00 2.27 2.66 0.00 3.69 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.26 0.00 116 E 8.00 3.71 0.00 2.16 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 0.00 2.32 2.26 0.00 117 D 8.12 4.53 0.00 2.62 2.68 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 0.00 118 G 7.64 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 0.00 119 D 8.43 4.95 0.00 3.18 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 0.00 120 P 0.00 4.44 0.00 2.26 2.12 0.00 3.74 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 121 D 8.20 4.44 0.00 2.72 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 0.00 122 N 8.52 4.93 0.00 3.10 2.95 0.00 0.00 7.12 7.27 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 0.00 123 G 8.67 3.79 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 0.00 0.00 0.00 124 V 7.55 4.13 2.25 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 0.96 0.00 0.00 0.57 0.00 0.00 125 N 8.41 4.81 0.00 2.87 2.71 0.00 0.00 7.02 8.03 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 0.00 126 P 0.00 4.30 0.00 2.03 2.19 0.00 3.68 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 2.04 2.13 0.00 127 G 9.86 3.90 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 0.00 0.00 0.00 128 T 7.40 4.26 4.27 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 0.00 0.00 1.06 0.00 0.00 129 D 8.61 4.52 0.00 2.75 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 0.00 130 F 9.06 3.45 0.00 2.57 2.23 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 0.00 131 K 7.92 3.89 0.00 1.85 1.93 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.41 7.81 132 D 7.47 4.58 0.00 2.70 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.65 3.40 0.98 0.00 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 -0.14 0.06 0.00 0.00 134 P 0.00 4.22 0.00 2.15 1.93 0.00 3.37 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 135 D 8.57 4.55 0.00 2.63 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.80 4.70 0.00 2.77 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 W 8.16 4.18 0.00 3.09 3.04 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 0.00 0.00 0.00 0.00 138 V 6.81 4.15 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 0.69 0.00 0.00 0.63 0.00 0.00 139 C 8.54 3.53 0.00 3.12 2.84 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 0.00 140 P 0.00 4.10 0.00 2.07 2.06 0.00 2.69 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.99 0.00 141 L 7.57 4.28 0.00 1.62 1.75 1.09 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 142 C 7.99 4.57 0.00 3.00 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 0.00 143 G 8.24 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 0.00 144 A 7.56 4.08 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 0.00 145 P 0.00 4.75 0.00 2.26 2.03 0.00 3.64 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 146 K 8.72 4.36 0.00 1.85 1.89 0.00 1.40 0.00 0.00 1.66 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.70 7.81 147 D 8.22 4.73 0.00 2.88 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 Q 8.69 4.36 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 149 F 8.35 5.25 0.00 3.32 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 0.00 150 E 9.08 5.02 0.00 1.96 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 0.00 2.17 2.20 0.00 151 E 8.28 3.15 0.00 1.63 1.12 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 0.00 2.15 2.24 0.00 152 V 8.62 3.67 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 0.66 0.00 0.00 0.87 0.00 0.00 153 E 8.56 3.74 0.00 2.06 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 2.24 0.00 154 E 7.89 4.40 0.00 2.00 1.77 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 2.11 2.07 0.00