NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 84 V 4.1516 8.0549 114.0593 61.9768 33.2291 175.6798 85 T 4.5667 7.9771 118.6610 62.3030 70.8667 169.6433 86 L 4.8258 9.2936 126.4999 53.1483 43.0644 175.3822 87 F 4.6507 9.2258 123.2701 56.3391 41.8617 174.4986 88 V 4.9579 8.5956 118.3567 61.0576 35.4543 174.5977 89 A 5.5540 8.7295 128.3856 51.1701 18.2010 178.2260 90 L 3.8125 8.5325 122.4826 58.1157 42.0837 177.1419 91 Y 5.0442 7.4458 114.1575 55.8704 42.0459 173.9858 92 D 4.8627 8.6996 121.2047 54.1990 41.4102 174.6557 93 Y 4.5368 8.0743 115.6916 57.3759 42.5814 173.5048 94 E 4.4822 8.8925 127.6701 53.6175 28.7874 172.4021 95 A 3.3584 7.1614 124.1168 51.4423 18.9863 178.4973 96 R 3.8480 8.6007 117.9287 58.7154 30.1312 176.2448 97 T 4.6493 6.9647 112.4901 59.8513 70.4621 173.1518 98 E 4.2239 8.5256 120.7947 57.8155 30.7210 177.9302 99 D 4.4771 8.0263 120.3593 57.6711 41.1582 176.3984 100 D 5.4433 7.4902 116.0570 52.9623 42.8078 173.9295 101 L 5.1921 8.5766 118.9498 53.7298 46.2739 175.3961 102 S 4.6169 8.4671 113.0126 57.2920 66.1416 173.6109 103 F 5.0048 7.5450 115.3893 57.1898 41.8888 171.8623 104 H 5.3566 9.0128 114.4183 53.5821 32.6981 173.1270 105 K 5.0097 8.5771 120.5521 58.6945 32.1110 175.5446 106 G 3.6516 9.1655 113.1130 44.9668 0.0000 172.9089 107 E 4.2229 8.2808 121.3530 55.5828 30.7482 176.6542 108 K 4.6369 8.1150 122.9731 56.3056 33.8086 176.0148 109 F 4.9274 8.8610 119.0168 56.6119 44.2610 173.9814 110 Q 5.1698 8.6946 120.7001 53.1188 29.4673 174.2355 111 I 3.8123 8.1924 124.0067 61.7945 37.1373 175.2293 112 L 4.4360 8.4076 126.1882 55.4405 44.1649 176.2684 113 N 4.2803 7.8094 118.1032 52.5440 41.1153 173.3174 114 S 3.0833 8.4700 120.5888 54.1667 65.5739 173.8644 115 S 3.5221 7.8079 116.0029 60.2301 60.8767 171.5225 116 E 3.7358 9.2489 117.0037 57.5269 32.6068 173.7495 117 G 4.1934 9.9062 109.6679 44.3451 0.0000 172.4708 118 D 4.1457 9.0679 128.3511 53.5289 46.5318 174.5238 119 W 4.8194 8.5092 118.5699 54.9133 30.6062 175.8420 120 W 5.2592 9.0980 125.7148 55.4123 31.5279 175.9189 121 E 5.4107 8.9589 120.7157 54.4410 30.1345 174.4340 122 A 5.0803 8.2582 126.7922 50.0892 22.7405 174.5708 123 R 4.9367 8.3996 121.3883 54.6571 32.2398 175.6291 124 S 4.8940 8.7463 121.9455 58.2702 64.0954 174.9283 125 L 4.3116 8.6816 122.9351 55.9221 41.8969 177.5126 126 T 4.3191 7.8349 115.7085 65.6270 69.5552 176.0849 127 T 4.1162 7.8523 109.4345 63.9024 69.5317 175.1312 128 G 4.1093 7.9929 109.2173 45.1858 0.0000 173.7627 129 E 4.4172 8.0464 118.3757 56.1349 31.2918 175.4658 130 T 4.9773 8.2145 115.2979 60.9371 70.8559 172.4863 131 G 3.9758 8.3504 110.5478 45.9850 0.0000 172.0191 132 Y 5.3881 8.6799 118.1280 56.8351 37.8679 175.6576 133 I 4.8094 8.7190 118.6610 58.4636 40.6758 173.7901 134 P 3.9152 0.0000 0.0000 62.5880 31.6331 177.4803 135 S 3.5663 8.0189 118.4426 60.9035 62.7537 175.6363 136 N 4.3578 7.5886 116.8481 54.9711 39.0772 174.4885 137 Y 4.2654 7.9243 114.8169 58.9936 38.5133 175.0611 138 V 5.8305 7.8272 111.7277 58.6219 35.8836 174.7054 139 A 5.1855 8.5544 123.2673 49.3112 23.0997 173.5875 140 P 2.9700 0.0000 0.0000 62.2025 31.9315 176.8952 141 V 3.7734 7.2987 121.4703 61.7577 31.5528 175.6636 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 84 V 8.05 4.15 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 0.90 0.00 0.00 0.95 0.00 0.00 85 T 7.98 4.57 4.29 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 1.28 0.00 0.00 86 L 9.29 4.83 0.00 1.57 1.62 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 87 F 9.23 4.65 0.00 3.14 3.23 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 88 V 8.60 4.96 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 0.90 0.00 0.00 0.90 0.00 0.00 89 A 8.73 5.55 1.82 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 0.00 0.00 90 L 8.53 3.81 0.00 0.27 0.79 0.73 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 7.45 5.04 0.00 2.84 2.75 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 92 D 8.70 4.86 0.00 2.64 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 93 Y 8.07 4.54 0.00 2.51 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.89 4.48 0.00 1.81 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 2.14 2.23 0.00 95 A 7.16 3.36 1.08 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 0.00 0.00 0.00 0.00 0.00 96 R 8.60 3.85 0.00 1.92 2.08 0.00 3.01 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 97 T 6.96 4.65 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 98 E 8.53 4.22 0.00 2.11 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 2.23 2.31 0.00 99 D 8.03 4.48 0.00 2.64 2.60 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 0.00 0.00 0.00 0.00 100 D 7.49 5.44 0.00 2.81 3.23 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 0.00 101 L 8.58 5.19 0.00 1.80 1.75 0.96 0.79 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 0.00 102 S 8.47 4.62 0.00 3.70 3.60 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 0.00 0.00 0.00 0.00 103 F 7.55 5.00 0.00 3.43 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.01 5.36 0.00 3.23 3.34 0.00 5.85 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.58 5.01 0.00 1.99 2.07 0.00 1.30 0.00 0.00 2.50 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.43 7.81 106 G 9.17 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.28 4.22 0.00 2.18 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 108 K 8.12 4.64 0.00 1.47 1.65 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.33 7.81 109 F 8.86 4.93 0.00 3.00 2.77 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 0.00 0.00 0.00 110 Q 8.69 5.17 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.00 0.00 0.00 0.00 0.00 0.00 2.33 2.18 0.00 111 I 8.19 3.81 1.44 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 -0.19 0.30 0.00 0.00 112 L 8.41 4.44 0.00 1.44 1.60 0.86 0.91 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 0.00 113 N 7.81 4.28 0.00 2.63 2.84 0.00 0.00 6.77 7.22 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 0.00 114 S 8.47 3.08 0.00 2.72 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 0.00 115 S 7.81 3.52 0.00 3.97 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 0.00 116 E 9.25 3.74 0.00 2.28 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 2.29 2.39 0.00 117 G 9.91 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 D 9.07 4.15 0.00 2.69 2.28 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 0.00 0.00 0.00 0.00 119 W 8.51 4.82 0.00 3.28 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.10 5.26 0.00 3.32 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 0.00 121 E 8.96 5.41 0.00 1.72 1.51 0.00 0.00 0.00 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 2.13 0.00 122 A 8.26 5.08 1.14 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 0.00 123 R 8.40 4.94 0.00 1.93 1.83 0.00 3.12 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.56 0.00 124 S 8.75 4.89 0.00 4.12 4.37 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 0.00 125 L 8.68 4.31 0.00 1.60 1.72 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 126 T 7.83 4.32 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 127 T 7.85 4.12 4.28 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 0.00 0.00 0.00 1.26 0.00 0.00 128 G 7.99 4.11 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 0.00 0.00 0.00 129 E 8.05 4.42 0.00 1.94 1.89 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 2.40 2.26 0.00 130 T 8.21 4.98 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 1.11 0.00 0.00 131 G 8.35 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 132 Y 8.68 5.39 0.00 3.10 3.15 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 0.00 0.00 0.00 133 I 8.72 4.81 1.96 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.99 0.79 0.00 0.00 134 P 0.00 3.92 0.00 2.10 1.40 0.00 3.44 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.44 0.00 135 S 8.02 3.57 0.00 2.72 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 0.00 136 N 7.59 4.36 0.00 2.51 2.79 0.00 0.00 6.80 7.48 0.00 0.00 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 Y 7.92 4.27 0.00 3.23 3.20 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 0.00 138 V 7.83 5.83 2.39 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 1.04 0.00 0.00 1.12 0.00 0.00 139 A 8.55 5.19 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 2.97 0.00 1.73 1.42 0.00 3.70 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.00 0.00 141 V 7.30 3.77 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 0.70 0.00 0.00 0.87 0.00 0.00