NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 91 K 4.1479 8.3144 121.7863 59.5086 32.2124 173.0316 92 E 4.3784 9.3521 127.0536 55.6440 28.0971 174.0931 93 N 5.0962 8.3317 114.6186 50.3150 43.5366 171.8654 94 P 4.0899 0.0000 0.0000 62.4609 32.1351 176.2616 95 S 3.9484 8.8265 115.5571 60.5081 63.4317 177.3655 96 S 3.1640 8.3673 121.0014 58.4832 64.0679 172.7893 97 Q 4.6091 8.5094 124.4022 57.1074 30.4994 176.9920 98 Y 4.0105 8.3334 124.3711 61.8099 38.6378 177.9716 99 W 4.1010 8.0878 118.9991 59.2822 29.1369 178.1433 100 K 3.9700 8.0745 119.3259 59.6391 31.6686 178.3348 101 E 3.8680 7.8153 118.3150 59.3998 29.4133 179.5417 102 V 3.3910 7.3556 117.7716 65.9636 31.5473 177.9121 103 A 4.0436 8.7259 121.2585 55.1618 18.2594 179.2181 104 E 3.9248 8.2233 117.8758 59.3384 29.5473 178.7727 105 K 3.8511 8.1437 118.4849 59.8901 32.0881 179.2452 106 R 3.9510 8.1963 117.8246 59.3837 29.9794 179.0840 107 R 3.9009 8.4614 118.8179 59.4045 30.0249 178.6045 108 K 4.0213 8.0895 117.7868 59.5882 32.0876 178.9690 109 A 4.0252 7.8331 120.7551 55.2719 18.1944 179.3685 110 L 3.9028 8.3108 118.9601 58.6391 42.0829 178.0738 111 Y 4.1446 8.3686 119.6686 61.2332 38.7562 177.9195 112 E 3.9358 8.5904 118.8388 59.4867 29.7162 179.4158 113 A 4.0376 8.2233 120.7171 55.3864 18.4124 179.7760 114 L 4.0151 8.2073 117.5605 57.4701 41.5883 179.2928 115 K 3.9109 8.5647 120.2399 59.8981 32.0131 178.3871 116 E 3.9949 8.1456 118.7667 59.0766 29.6072 177.9514 117 N 4.3091 8.1090 117.1817 56.6649 38.7982 176.5130 118 E 3.9131 8.6490 121.0704 59.2179 29.7899 178.1002 119 K 3.8004 7.7575 119.2854 59.9275 32.1102 178.2059 120 L 3.9787 8.4121 118.9514 58.3771 41.6985 179.4583 121 H 4.0762 8.1599 115.6858 58.7882 28.2181 177.5347 122 K 4.1977 8.4490 120.4545 58.4489 31.9360 178.4522 123 E 4.0508 8.2757 119.7500 59.5074 29.5949 178.6980 124 I 3.6339 8.0759 113.3100 64.2606 37.2640 177.3962 125 E 3.9148 8.1660 121.1667 59.5582 29.2336 178.7368 126 Q 4.1620 7.9434 116.4775 58.0252 28.6875 178.9765 127 K 4.0220 8.1934 120.6338 59.5496 32.2597 179.0388 128 D 4.3523 8.2849 119.0670 57.1463 40.6472 178.5099 129 N 4.3366 8.1828 117.4124 56.2046 38.4955 176.9995 130 E 3.8985 7.8338 120.3152 59.2089 29.6835 178.5580 131 I 3.6335 7.9851 119.9484 64.6315 37.2337 178.2703 132 A 3.9363 7.9375 120.9815 55.1825 18.1594 179.2740 133 R 3.8632 7.9019 117.3016 59.8402 29.9209 178.6445 134 L 3.9891 7.9555 118.2620 57.8320 41.8136 179.1930 135 K 3.8284 8.2013 118.6289 59.5503 32.0809 179.1579 136 K 3.8938 8.5002 119.8944 59.7099 32.3240 178.7531 137 E 4.0092 7.8743 118.9119 59.2719 29.2156 179.0125 138 N 4.2873 8.8010 116.9326 56.4022 38.7153 177.0856 139 K 3.7136 7.9974 120.7670 59.7940 31.8649 178.5000 140 E 3.9753 8.0968 118.1865 59.2869 29.2477 179.2207 141 L 4.0865 7.8142 118.1603 57.3308 41.9686 178.9313 142 A 3.6381 8.7939 121.4810 55.3152 18.0392 179.3652 143 E 3.9007 8.2117 117.8029 59.3711 29.7340 179.2323 144 V 3.6469 7.5525 117.9877 65.7979 31.5555 177.8455 145 A 4.0421 8.9991 121.9084 55.1371 18.0417 179.1824 146 E 3.8952 8.1494 117.8708 59.6836 29.6819 178.6174 147 H 4.3993 8.0731 118.7233 58.9652 29.8678 177.7541 148 V 3.5609 7.9700 121.1123 65.0480 31.5832 178.2834 149 Q 3.9476 8.2750 119.2203 58.7035 28.4707 178.7505 150 Y 4.2824 7.8028 120.4610 61.1207 38.9437 177.7234 151 M 3.7475 7.9993 119.3893 58.0407 31.9761 178.3903 152 A 3.9279 8.6106 121.3474 55.4476 18.5741 179.4406 153 E 3.9091 7.9904 116.3681 59.5085 29.4797 179.6592 154 L 3.8460 7.6115 118.7538 57.9646 41.8383 179.5592 155 I 3.6039 8.1714 119.9012 64.2621 36.7800 177.7651 156 E 3.8752 8.3572 119.5180 59.6530 29.1948 178.7573 157 R 4.0844 7.9288 118.1596 59.1483 30.0363 178.2652 158 L 4.0527 8.4126 117.9851 57.3476 41.5717 178.6591 159 N 4.5481 7.8528 115.8448 54.0726 38.7871 175.3105 160 G 4.0139 7.6659 112.4911 45.6334 0.0000 173.0401 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 91 K 8.31 4.15 0.00 1.73 1.84 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.43 7.81 92 E 9.35 4.38 0.00 2.09 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 0.00 2.13 2.47 0.00 93 N 8.33 5.10 0.00 2.72 2.70 0.00 0.00 6.90 8.02 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 94 P 0.00 4.09 0.00 1.83 1.23 0.00 3.77 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.71 0.00 95 S 8.83 3.95 0.00 3.83 3.76 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 96 S 8.37 3.16 0.00 4.02 4.06 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 0.00 0.00 0.00 97 Q 8.51 4.61 0.00 2.31 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 98 Y 8.33 4.01 0.00 2.88 2.74 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 99 W 8.09 4.10 0.00 3.49 3.21 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 0.00 100 K 8.07 3.97 0.00 1.90 1.89 0.00 1.76 0.00 0.00 2.00 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.57 7.81 101 E 7.82 3.87 0.00 2.06 1.83 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 2.28 2.33 0.00 102 V 7.36 3.39 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 1.07 0.00 0.00 -0.20 0.00 0.00 103 A 8.73 4.04 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 0.00 104 E 8.22 3.92 0.00 2.22 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 2.31 2.40 0.00 105 K 8.14 3.85 0.00 2.05 1.83 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.58 7.81 106 R 8.20 3.95 0.00 2.02 2.02 0.00 3.20 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 107 R 8.46 3.90 0.00 1.97 2.15 0.00 3.10 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 108 K 8.09 4.02 0.00 2.07 1.86 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.71 7.81 109 A 7.83 4.03 1.33 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 0.00 110 L 8.31 3.90 0.00 1.83 1.96 0.93 0.98 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 0.00 111 Y 8.37 4.14 0.00 3.16 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 E 8.59 3.94 0.00 2.05 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 2.25 2.44 0.00 113 A 8.22 4.04 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.21 4.02 0.00 1.88 1.75 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.56 3.91 0.00 1.92 2.05 0.00 1.72 0.00 0.00 1.53 0.00 0.00 2.75 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.47 1.52 7.81 116 E 8.15 3.99 0.00 2.12 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 2.32 2.32 0.00 117 N 8.11 4.31 0.00 2.96 3.03 0.00 0.00 6.81 7.60 0.00 0.00 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 E 8.65 3.91 0.00 2.23 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 2.32 2.32 0.00 119 K 7.76 3.80 0.00 1.84 2.04 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.52 7.81 120 L 8.41 3.98 0.00 1.69 1.70 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 121 H 8.16 4.08 0.00 3.47 3.35 0.00 5.61 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.45 4.20 0.00 1.99 1.90 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.64 7.81 123 E 8.28 4.05 0.00 2.31 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 2.33 2.51 0.00 124 I 8.08 3.63 1.86 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 1.59 0.82 0.91 0.00 0.00 125 E 8.17 3.91 0.00 2.18 2.10 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 2.31 2.36 0.00 126 Q 7.94 4.16 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 127 K 8.19 4.02 0.00 1.90 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.62 7.81 128 D 8.28 4.35 0.00 2.93 2.72 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 0.00 129 N 8.18 4.34 0.00 2.94 2.87 0.00 0.00 6.53 7.82 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 0.00 130 E 7.83 3.90 0.00 2.24 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 2.39 0.00 131 I 7.99 3.63 2.02 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 0.50 0.91 0.00 0.00 132 A 7.94 3.94 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 0.00 133 R 7.90 3.86 0.00 2.01 2.17 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.71 0.00 134 L 7.96 3.99 0.00 1.94 1.69 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 135 K 8.20 3.83 0.00 1.90 1.88 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.73 7.81 136 K 8.50 3.89 0.00 1.78 1.96 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.48 7.81 137 E 7.87 4.01 0.00 2.15 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 2.58 0.00 138 N 8.80 4.29 0.00 2.97 2.87 0.00 0.00 6.60 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 K 8.00 3.71 0.00 1.84 2.00 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.50 7.81 140 E 8.10 3.98 0.00 2.25 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 2.33 2.64 0.00 141 L 7.81 4.09 0.00 1.73 1.71 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.79 3.64 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.21 3.90 0.00 2.24 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 0.00 2.30 2.31 0.00 144 V 7.55 3.65 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 0.99 0.00 0.00 0.99 0.00 0.00 145 A 9.00 4.04 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.15 3.90 0.00 2.22 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 2.30 2.45 0.00 147 H 8.07 4.40 0.00 3.21 3.53 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 7.97 3.56 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 0.92 0.00 0.00 0.93 0.00 0.00 149 Q 8.27 3.95 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.69 0.00 150 Y 7.80 4.28 0.00 3.05 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 0.00 151 M 8.00 3.75 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 152 A 8.61 3.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 3.91 0.00 2.28 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 0.00 2.36 2.59 0.00 154 L 7.61 3.85 0.00 1.61 1.55 0.22 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 155 I 8.17 3.60 1.95 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 1.35 1.29 0.88 0.00 0.00 156 E 8.36 3.88 0.00 2.08 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 0.00 2.33 2.38 0.00 157 R 7.93 4.08 0.00 1.92 1.99 0.00 3.15 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 158 L 8.41 4.05 0.00 1.72 1.70 0.88 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 159 N 7.85 4.55 0.00 2.80 2.86 0.00 0.00 7.26 7.28 0.00 0.00 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 G 7.67 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