NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 M 4.4504 8.1633 120.6118 55.3725 33.8427 173.6857 102 L 4.7915 8.2559 127.3480 52.0239 43.1121 174.7694 103 I 4.8475 9.7255 118.9145 58.9823 41.8196 174.0719 104 K 5.0514 8.8649 121.6926 54.5804 35.4632 175.6992 105 V 4.7354 8.7479 123.3843 61.1459 34.2200 174.0300 106 K 5.0264 9.2631 130.2070 54.9856 34.6578 175.1416 107 T 4.9904 8.4587 116.0522 59.6587 71.6000 175.1805 108 L 3.9689 8.7532 122.3663 58.4460 41.6387 178.8000 109 T 4.1948 7.8282 104.8252 61.8651 68.6323 174.9715 110 G 4.0373 8.1596 112.2942 45.4586 0.0000 174.7120 111 K 4.2181 7.7969 119.3180 56.4625 33.2078 175.7232 112 E 5.2086 8.7062 124.3564 54.3662 32.7812 174.3658 113 I 4.6983 8.7125 118.7387 59.0583 41.5117 173.4079 114 E 5.0867 8.6622 123.4679 54.6351 31.4803 174.9752 115 I 4.6204 8.7404 126.8847 59.4869 41.3007 173.7796 116 D 5.3909 8.7667 126.1298 52.8060 42.2308 174.9618 117 I 4.8865 8.5627 118.9311 59.3718 41.4319 173.9926 118 E 4.7950 9.1695 120.5480 53.7744 32.6445 176.2007 119 P 4.2477 0.0000 0.0000 65.7635 31.6093 178.7474 120 T 4.1090 7.7682 106.5912 63.3015 69.4129 174.7252 121 D 4.4497 8.0061 124.0221 54.1880 41.5679 176.2809 122 K 4.6508 8.3895 122.5500 55.6911 33.3601 178.1283 123 V 3.6077 8.7588 121.0077 66.3663 31.2713 178.0963 124 E 3.9486 8.0982 118.6245 59.1898 29.3867 178.8762 125 R 3.9148 8.0495 118.9352 59.2864 30.1587 178.5330 126 I 3.7036 7.5927 119.2215 64.3749 37.0955 178.4026 127 K 4.2529 8.0992 120.6231 58.9287 31.8308 179.3022 128 E 3.9604 8.2589 118.9987 59.4303 29.2317 179.5887 129 R 3.9348 8.1517 118.2052 59.1498 30.0367 179.2733 130 V 3.5734 7.8232 118.1329 65.8904 31.5319 177.6712 131 E 4.1166 8.2525 120.6111 58.8919 29.2563 178.7049 132 E 4.1227 8.1475 117.5398 59.0436 29.5362 178.8645 133 K 4.2740 7.7379 117.2419 57.5600 32.6360 177.3264 134 E 4.4748 8.3942 115.7154 55.0768 31.2211 176.9058 135 G 3.8502 8.5990 107.0961 45.6963 0.0000 173.2955 136 I 4.1916 7.3735 121.5192 58.7886 38.0028 173.6729 137 P 4.5044 0.0000 0.0000 61.8800 32.1224 175.4032 138 P 4.2145 0.0000 0.0000 66.0427 31.4493 178.6353 139 Q 3.9886 8.1275 115.5730 58.6048 28.7961 177.1723 140 Q 4.6170 8.1725 114.4971 55.1440 29.1660 174.5936 141 Q 4.8401 7.9729 118.6519 54.1880 31.4346 174.5771 142 R 4.7578 8.7954 123.1599 54.5765 33.0802 173.8378 143 L 5.2312 8.4988 126.0761 53.1533 44.3941 175.4265 144 I 5.0613 8.7492 123.8027 59.6729 41.0600 173.9582 145 Y 5.0018 8.7366 126.9064 56.5320 42.2294 175.2979 146 S 3.4923 9.2760 122.6329 59.6615 60.5570 173.2073 147 G 3.8592 8.3381 104.2451 45.5403 0.0000 173.4859 148 K 4.5179 7.8188 120.9342 53.8260 34.4886 174.8619 149 Q 4.4620 8.6205 127.7283 56.3733 29.6339 175.0213 150 M 3.9576 8.7263 127.4879 54.6641 33.2257 175.5002 151 N 4.6209 9.6465 123.4260 53.0394 39.9349 175.7199 152 D 4.4451 9.0824 126.0412 57.3949 41.1483 177.9023 153 E 4.2980 8.8458 116.7251 56.9828 30.0786 176.6543 154 K 4.3740 7.9385 119.4635 55.5464 33.1541 175.6162 155 T 4.9226 8.6241 110.4379 59.7173 71.2095 175.5876 156 A 4.0525 8.9011 123.5721 55.3045 18.1741 179.7625 157 A 3.9576 8.1230 119.2197 55.4911 18.1991 179.4848 158 D 4.2401 7.7040 116.0079 57.2524 40.9487 177.7639 159 Y 4.5374 7.4555 113.0297 56.5865 38.5764 175.4591 160 K 3.7843 7.8384 118.3703 57.4482 30.1401 176.5132 161 I 3.7862 8.0256 120.9877 60.3720 36.5612 175.2279 162 L 4.8351 7.9468 125.5950 51.8051 45.1790 176.0511 163 G 3.8491 8.5586 107.6520 48.1093 0.0000 174.0218 164 G 3.9865 9.0215 113.3194 45.0066 0.0000 173.9399 165 S 4.4472 8.1420 116.7634 58.5471 64.1981 173.4393 166 V 4.7227 8.6340 123.0655 61.3759 33.1889 174.6876 167 L 5.0327 9.1073 128.3932 53.7020 44.5317 175.1129 168 H 5.2458 9.2365 118.9832 54.0379 31.2785 173.0051 169 L 5.1347 8.9007 126.0703 53.5148 43.7782 175.9615 170 V 4.6384 8.5014 118.1488 59.4484 36.3648 174.7767 171 L 4.6613 8.5648 123.3627 55.1810 42.2409 177.4595 172 A 4.4760 9.0650 124.9008 50.3063 21.4399 174.2498 173 L 4.3785 8.4350 120.6596 55.4339 42.9523 176.6463 174 R 4.0317 9.2151 126.5007 57.7109 30.2519 176.8203 175 G 3.9107 9.2705 114.5698 45.4336 0.0000 173.1909 176 G 3.7295 7.9643 113.8322 45.4929 0.0000 174.0439 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 4.45 0.00 2.39 2.05 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 2.61 2.56 0.00 102 L 8.26 4.79 0.00 1.72 1.57 0.92 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 103 I 9.73 4.85 1.91 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.94 0.89 0.00 0.00 104 K 8.86 5.05 0.00 1.68 1.80 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.34 7.81 105 V 8.75 4.74 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 0.99 0.00 0.00 0.90 0.00 0.00 106 K 9.26 5.03 0.00 1.71 1.41 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.33 7.81 107 T 8.46 4.99 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 0.00 108 L 8.75 3.97 0.00 1.66 1.80 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 109 T 7.83 4.19 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 8.16 4.04 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 0.00 0.00 0.00 111 K 7.80 4.22 0.00 1.77 1.74 0.00 1.50 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.53 1.50 7.81 112 E 8.71 5.21 0.00 1.90 1.75 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 2.16 2.37 0.00 113 I 8.71 4.70 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 1.10 0.98 0.93 0.00 0.00 114 E 8.66 5.09 0.00 1.97 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 2.18 2.40 0.00 115 I 8.74 4.62 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 1.09 0.80 0.89 0.00 0.00 116 D 8.77 5.39 0.00 2.64 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 0.00 117 I 8.56 4.89 1.97 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 1.19 0.81 0.89 0.00 0.00 118 E 9.17 4.80 0.00 1.85 1.84 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 2.20 2.38 0.00 119 P 0.00 4.25 0.00 2.17 2.10 0.00 3.58 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 120 T 7.77 4.11 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 8.01 4.45 0.00 2.92 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 4.65 0.00 1.83 1.91 0.00 1.69 0.00 0.00 1.87 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.43 7.81 123 V 8.76 3.61 2.29 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 0.96 0.00 0.00 1.11 0.00 0.00 124 E 8.10 3.95 0.00 2.24 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 0.00 2.31 2.37 0.00 125 R 8.05 3.91 0.00 1.98 2.15 0.00 3.20 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.70 0.00 126 I 7.59 3.70 1.99 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 1.61 0.92 0.87 0.00 0.00 127 K 8.10 4.25 0.00 1.97 1.85 0.00 1.77 0.00 0.00 1.90 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.46 7.81 128 E 8.26 3.96 0.00 2.17 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 2.58 2.49 0.00 129 R 8.15 3.93 0.00 2.00 1.96 0.00 3.28 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.77 0.00 130 V 7.82 3.57 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 1.09 0.00 0.00 0.95 0.00 0.00 131 E 8.25 4.12 0.00 2.22 2.11 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 2.30 2.26 0.00 132 E 8.15 4.12 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 2.34 2.52 0.00 133 K 7.74 4.27 0.00 1.80 1.85 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.43 1.46 7.81 134 E 8.39 4.47 0.00 1.94 1.93 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 2.21 2.34 0.00 135 G 8.60 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 0.00 136 I 7.37 4.19 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 1.46 1.43 0.91 0.00 0.00 137 P 0.00 4.50 0.00 2.36 2.17 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 138 P 0.00 4.21 0.00 2.19 2.16 0.00 3.60 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.13 0.00 139 Q 8.13 3.99 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 140 Q 8.17 4.62 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 141 Q 7.97 4.84 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 142 R 8.80 4.76 0.00 1.85 1.88 0.00 3.06 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 143 L 8.50 5.23 0.00 1.56 1.48 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.75 5.06 1.90 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 0.77 0.90 0.00 0.00 145 Y 8.74 5.00 0.00 2.85 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 0.00 146 S 9.28 3.49 0.00 3.72 3.67 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 0.00 147 G 8.34 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 0.00 148 K 7.82 4.52 0.00 1.80 1.81 0.00 1.76 0.00 0.00 1.88 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.40 7.81 149 Q 8.62 4.46 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 150 M 8.73 3.96 0.00 1.50 1.85 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.18 0.00 151 N 9.65 4.62 0.00 2.87 2.88 0.00 0.00 6.86 8.47 0.00 0.00 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 9.08 4.45 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.85 4.30 0.00 2.03 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 0.00 2.33 2.29 0.00 154 K 7.94 4.37 0.00 2.20 1.75 0.00 1.63 0.00 0.00 1.30 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.39 7.81 155 T 8.62 4.92 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 156 A 8.90 4.05 1.46 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 0.00 0.00 157 A 8.12 3.96 1.41 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 0.00 0.00 158 D 7.70 4.24 0.00 2.69 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 7.46 4.54 0.00 3.00 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 0.00 160 K 7.84 3.78 0.00 2.06 2.01 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.43 7.81 161 I 8.03 3.79 1.85 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.23 0.66 0.00 0.00 162 L 7.95 4.84 0.00 1.67 1.56 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 163 G 8.56 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 G 9.02 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 165 S 8.14 4.45 0.00 3.72 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 4.72 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 0.81 0.00 0.00 0.96 0.00 0.00 167 L 9.11 5.03 0.00 1.55 1.54 0.81 0.56 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 9.24 5.25 0.00 3.09 3.21 0.00 5.78 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 8.90 5.13 0.00 1.56 1.53 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 170 V 8.50 4.64 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 0.73 0.00 0.00 0.98 0.00 0.00 171 L 8.56 4.66 0.00 1.53 1.60 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 172 A 9.06 4.48 1.20 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 0.00 0.00 0.00 173 L 8.43 4.38 0.00 1.61 1.64 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 174 R 9.22 4.03 0.00 1.97 1.93 0.00 3.28 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 175 G 9.27 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 0.00 0.00 0.00 176 G 7.96 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00