NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 M 4.5810 8.1633 118.3350 55.3446 33.7541 173.2986 102 Q 5.5716 8.6667 115.9311 51.3843 32.6974 173.3625 103 I 5.1264 8.9950 117.0483 59.2353 41.3882 173.9647 104 F 4.8860 9.8307 124.2136 56.5558 41.2358 175.2268 105 V 4.4461 9.0836 122.7631 61.0703 33.7770 173.9729 106 K 4.9270 9.3388 131.4251 55.5823 33.3174 175.7218 107 T 4.9388 9.2911 119.4529 60.4830 70.4461 176.2059 108 L 4.1404 7.9918 123.5839 57.3266 41.7950 178.6852 109 T 4.0367 7.7468 107.9433 62.6382 69.1863 175.2017 110 G 4.2087 8.1213 111.6575 45.3525 0.0000 173.0197 111 K 4.7110 8.1403 119.5629 54.3724 35.7129 174.7448 112 T 5.1730 8.5702 122.0893 61.9200 71.2534 173.1726 113 I 4.4502 8.9293 127.8444 59.7629 39.8771 174.6571 114 T 4.5054 8.3236 123.4455 61.9137 70.1554 173.7878 115 L 4.8124 8.5697 125.1105 52.8375 46.7297 174.6311 116 E 5.0272 8.6333 120.2785 54.9870 31.2296 175.0157 117 V 4.6399 8.7770 120.0279 60.0987 36.2357 174.1047 118 E 4.9577 8.4618 118.8421 54.1244 33.6459 175.4911 119 P 4.4511 0.0000 0.0000 64.1599 31.7721 177.3526 120 S 4.5237 7.6778 112.1688 58.4943 63.5998 173.7279 121 D 4.6510 7.4908 119.6682 54.2843 41.8512 174.4323 122 T 4.8104 8.2878 107.2718 59.2313 71.8119 174.8128 123 I 3.6424 7.9490 122.9762 64.6960 37.1172 178.4252 124 E 3.9666 7.7486 120.5945 59.0578 29.3706 178.3423 125 N 4.3691 8.4054 117.7030 56.3237 39.1500 177.1750 126 V 3.5758 7.5782 119.3699 65.7964 31.6012 177.8293 127 K 3.9727 8.2702 119.2867 59.3466 32.0941 178.7643 128 A 4.0451 7.9848 120.8110 54.5572 18.2848 179.6955 129 K 3.8347 7.9087 118.4920 59.9427 32.4114 179.1587 130 I 3.7280 7.6160 119.6846 64.2584 36.8873 178.3629 131 Q 4.0209 7.8807 120.4028 59.2708 28.7968 177.6232 132 D 4.4024 7.7957 116.7476 56.2200 41.2068 177.3275 133 K 4.2148 7.5582 118.6348 58.2739 32.8423 177.1236 134 E 4.4819 8.2946 116.6473 58.4520 30.6017 177.9055 135 G 4.2171 7.6744 106.1195 45.6282 0.0000 173.2316 136 I 4.2371 7.5915 120.0136 58.6969 38.5527 174.3109 137 P 4.4224 0.0000 0.0000 62.1332 31.7863 175.7044 138 P 4.8196 0.0000 0.0000 65.4197 31.6875 177.5374 139 D 4.4480 8.1150 117.9140 56.6510 41.1393 176.9018 140 Q 4.2399 7.9195 118.9630 57.3204 30.1609 175.0230 141 Q 4.3777 8.1397 118.5104 56.0015 29.8391 175.6356 142 R 4.4335 9.0104 124.0019 54.2486 32.5530 175.0488 143 L 4.4639 8.4068 125.3539 54.3534 42.9204 176.1787 144 I 4.7832 8.6749 125.3691 59.7099 40.4999 175.3660 145 F 4.8076 9.2361 127.9932 56.5081 41.6658 174.1448 146 A 3.9047 9.3270 132.1660 52.8375 16.0085 176.7917 147 G 3.9417 9.0718 103.5194 46.7383 0.0000 174.0759 148 K 4.5309 7.9457 117.1422 54.2992 36.0273 175.3769 149 Q 4.7816 8.5463 124.6551 54.4023 29.5008 175.0215 150 L 4.1681 8.0398 127.0466 54.7699 42.5055 176.7544 151 E 4.9277 8.7887 121.0248 54.2592 32.8261 176.9202 152 D 4.4129 9.0879 122.3568 56.1934 39.5139 177.7001 153 G 3.7398 8.0575 106.6810 46.5344 0.0000 173.0717 154 R 4.6459 7.9985 120.4009 54.6065 32.7203 174.7943 155 T 4.8066 7.8536 106.7170 59.9013 71.9980 174.8276 156 L 3.9452 8.1466 121.7475 58.0145 41.9486 179.9519 157 S 4.1529 7.9664 112.8245 60.5358 62.6461 175.4155 158 D 4.2986 7.6307 119.5783 57.0113 40.9155 176.5199 159 Y 4.1766 7.8566 114.0822 57.9034 38.7528 174.4599 160 N 4.4216 7.9653 116.9441 54.1820 37.3616 173.9884 161 I 4.0820 7.5845 117.5612 60.2010 38.4341 176.1457 162 Q 4.6996 8.2514 123.8594 53.7094 30.6584 175.1526 163 K 4.0911 8.2688 117.3150 57.9860 32.5310 177.2434 164 E 4.1794 9.3774 121.9789 57.0362 28.6761 174.0233 165 S 4.5176 7.4391 113.0689 58.5088 64.1408 173.0928 166 T 5.0267 8.4285 117.3260 62.2268 71.4160 173.8609 167 L 4.9373 9.5308 127.6715 53.4223 45.4334 175.2814 168 H 5.8455 8.8341 116.0509 53.1194 30.5684 173.2212 169 L 4.7981 8.5589 125.6920 54.5422 43.9187 175.4706 170 V 4.6474 8.2905 124.0149 61.3807 35.3301 173.5243 171 L 4.7380 8.6131 127.7993 53.8694 42.6976 176.6971 172 R 4.5188 8.5970 126.4885 54.7445 29.3578 174.9733 173 L 4.8172 7.9620 124.2974 52.9817 43.9964 176.5430 174 R 3.9985 8.4914 115.6152 56.7600 29.1904 174.7904 175 G 3.8649 7.6550 114.2028 44.8273 0.0000 173.6288 176 G 3.4500 8.3458 114.4264 44.2081 0.0000 173.0256 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 4.58 0.00 2.13 2.33 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.59 0.00 102 Q 8.67 5.57 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 103 I 9.00 5.13 1.94 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 1.33 0.85 0.94 0.00 0.00 104 F 9.83 4.89 0.00 3.03 3.03 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 0.00 0.00 0.00 105 V 9.08 4.45 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 0.92 0.00 0.00 0.98 0.00 0.00 106 K 9.34 4.93 0.00 1.78 1.63 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.40 7.81 107 T 9.29 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 1.22 0.00 0.00 108 L 7.99 4.14 0.00 1.79 1.78 0.92 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 0.00 109 T 7.75 4.04 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 1.22 0.00 0.00 110 G 8.12 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 0.00 0.00 0.00 0.00 111 K 8.14 4.71 0.00 1.82 1.62 0.00 1.47 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.43 7.81 112 T 8.57 5.17 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 113 I 8.93 4.45 1.84 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 1.22 1.10 0.87 0.00 0.00 114 T 8.32 4.51 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 0.29 0.00 0.00 115 L 8.57 4.81 0.00 1.49 1.49 0.89 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.63 5.03 0.00 1.90 1.79 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 2.16 2.49 0.00 117 V 8.78 4.64 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 0.72 0.00 0.00 0.92 0.00 0.00 118 E 8.46 4.96 0.00 1.86 1.78 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 2.28 2.27 0.00 119 P 0.00 4.45 0.00 2.21 2.29 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 120 S 7.68 4.52 0.00 3.82 3.89 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 0.00 121 D 7.49 4.65 0.00 2.77 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.29 4.81 4.35 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 1.21 0.00 0.00 123 I 7.95 3.64 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.26 0.87 0.00 0.00 124 E 7.75 3.97 0.00 2.39 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 2.31 2.32 0.00 125 N 8.41 4.37 0.00 2.89 2.80 0.00 0.00 6.76 8.15 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 0.00 126 V 7.58 3.58 2.19 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 0.92 0.00 0.00 0.95 0.00 0.00 127 K 8.27 3.97 0.00 2.02 1.78 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.45 7.81 128 A 7.98 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 7.91 3.83 0.00 2.07 1.87 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.46 7.81 130 I 7.62 3.73 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 1.40 0.68 0.91 0.00 0.00 131 Q 7.88 4.02 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 132 D 7.80 4.40 0.00 2.86 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 0.00 133 K 7.56 4.21 0.00 1.96 1.78 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.58 7.81 134 E 8.29 4.48 0.00 2.11 1.96 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 2.26 2.29 0.00 135 G 7.67 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 0.00 0.00 0.00 136 I 7.59 4.24 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 1.47 0.61 0.91 0.00 0.00 137 P 0.00 4.42 0.00 2.21 2.18 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 138 P 0.00 4.82 0.00 2.20 2.22 0.00 3.38 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 139 D 8.11 4.45 0.00 2.69 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 0.00 140 Q 7.92 4.24 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 7.10 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 141 Q 8.14 4.38 0.00 2.25 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 142 R 9.01 4.43 0.00 2.02 1.85 0.00 3.23 0.00 0.00 3.22 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 143 L 8.41 4.46 0.00 1.58 1.58 0.91 0.65 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 0.00 144 I 8.67 4.78 1.97 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 1.45 1.27 0.89 0.00 0.00 145 F 9.24 4.81 0.00 2.95 2.71 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 0.00 0.00 0.00 0.00 146 A 9.33 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 G 9.07 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 0.00 148 K 7.95 4.53 0.00 1.93 1.56 0.00 2.14 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.78 7.81 149 Q 8.55 4.78 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 7.03 0.00 0.00 0.00 0.00 0.00 2.28 2.80 0.00 150 L 8.04 4.17 0.00 1.48 1.51 0.75 0.21 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 0.00 151 E 8.79 4.93 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 2.36 0.00 152 D 9.09 4.41 0.00 2.79 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 0.00 153 G 8.06 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 0.00 154 R 8.00 4.65 0.00 2.08 1.95 0.00 2.78 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 155 T 7.85 4.81 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 1.30 0.00 0.00 156 L 8.15 3.95 0.00 1.82 1.72 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 157 S 7.97 4.15 0.00 3.85 3.91 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 0.00 158 D 7.63 4.30 0.00 2.70 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 4.18 0.00 2.87 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 0.00 160 N 7.97 4.42 0.00 2.88 3.18 0.00 0.00 7.24 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 I 7.58 4.08 1.85 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 -0.15 0.81 0.00 0.00 162 Q 8.25 4.70 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 163 K 8.27 4.09 0.00 1.90 1.76 0.00 1.69 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 1.55 1.51 7.81 164 E 9.38 4.18 0.00 2.13 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 2.55 2.50 0.00 165 S 7.44 4.52 0.00 4.36 3.86 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 0.00 0.00 0.00 166 T 8.43 5.03 4.20 0.00 0.00 0.00 0.00 0.00 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 0.00 167 L 9.53 4.94 0.00 1.63 1.76 1.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 168 H 8.83 5.85 0.00 3.03 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 8.56 4.80 0.00 1.79 1.53 0.93 0.80 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 0.00 170 V 8.29 4.65 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 1.08 0.00 0.00 0.94 0.00 0.00 171 L 8.61 4.74 0.00 1.57 1.71 0.92 0.95 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 0.00 172 R 8.60 4.52 0.00 1.84 1.87 0.00 3.22 0.00 0.00 3.28 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 173 L 7.96 4.82 0.00 1.73 1.72 0.97 0.74 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 8.49 4.00 0.00 1.92 1.98 0.00 3.12 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 175 G 7.65 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 176 G 8.35 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00