NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 58 M 4.4428 8.1476 120.3501 55.7735 33.5409 175.1124 59 R 4.5884 8.3734 114.0288 55.3810 31.2083 173.2442 60 K 5.1093 7.9168 120.3033 55.1874 34.7524 176.5756 61 I 5.0786 8.6177 117.1220 58.9494 41.7998 173.8894 62 L 4.6920 9.1147 124.7056 53.3929 45.1608 175.0483 63 I 4.7711 8.2215 127.0047 60.0706 39.2245 175.0505 64 R 4.6603 8.8751 124.2783 55.2582 34.2261 176.4565 65 G 3.9906 8.9780 109.4058 45.0540 0.0000 173.9188 66 L 4.0552 7.3172 119.1836 53.7503 42.1565 175.5082 67 P 4.3846 0.0000 0.0000 62.5105 31.9545 177.0534 68 G 3.7167 8.6836 109.8423 48.3933 0.0000 174.2276 69 D 4.8676 7.7350 117.9626 52.6938 40.1015 176.8319 70 V 3.7376 7.7230 119.2836 62.7092 32.1159 175.7060 71 T 4.6137 7.9213 112.5540 59.8136 72.8204 174.8580 72 N 4.3915 8.4828 119.2445 56.4333 38.5003 176.9830 73 Q 3.8330 8.0871 120.4613 59.7290 28.9725 178.5350 74 E 3.8880 7.9307 118.8046 59.6405 29.4673 179.8898 75 V 3.5154 8.0429 118.4185 66.2521 31.7755 177.9004 76 H 4.1947 8.2677 115.4195 58.8000 28.2868 177.4359 77 D 4.4497 8.2496 120.6304 56.9811 40.7775 177.9408 78 L 3.9047 7.6823 119.8448 57.6855 43.0757 179.4609 79 L 4.8663 7.7880 118.9077 54.4094 41.2352 178.7134 80 S 4.4070 7.9124 113.2450 60.4321 63.6428 174.7059 81 D 4.4792 8.0246 119.1457 54.5081 40.6237 174.7871 82 Y 4.7156 7.5881 116.0510 56.1182 41.9641 174.5516 83 E 4.5126 8.8078 121.7306 54.7877 30.6951 174.4586 84 L 4.3643 8.4688 127.9028 54.6193 41.6991 177.2433 85 K 4.4548 9.1957 124.3045 57.7869 33.4492 176.5982 86 Y 5.0257 7.7964 120.1109 56.3539 42.5959 173.5595 87 C 4.6693 7.6027 125.9216 58.1856 34.6598 172.6590 88 F 4.6093 8.9548 128.8637 56.4248 41.9946 173.3216 89 V 4.1194 7.6841 126.3628 61.3460 33.1059 174.8199 90 D 4.5176 9.0376 128.7690 52.5056 40.9117 176.8213 91 K 3.9754 8.5060 126.5932 59.3023 32.4591 179.1706 92 Y 4.1156 8.2059 118.5352 59.4048 38.8740 175.9813 93 K 4.1159 7.3947 113.6498 54.9086 33.7644 175.9019 94 G 3.9359 8.1848 107.9532 46.7281 0.0000 173.2514 95 T 5.4254 7.8396 107.0502 58.2885 72.5031 172.8291 96 A 5.0772 8.2885 124.9920 50.1923 23.0384 175.2606 97 F 4.8979 9.4285 118.8238 55.8333 41.3247 174.5833 98 V 4.9185 8.2814 124.1611 61.5784 34.2602 174.6327 99 T 4.9968 8.9085 121.6075 62.0299 71.7936 173.8455 100 L 4.9922 8.9152 126.8855 52.1938 43.6933 176.5867 101 L 4.2666 8.5105 122.1893 58.3716 42.5100 176.2287 102 N 4.8202 7.8117 113.2260 50.8329 39.8243 174.7262 103 G 3.8502 8.7062 103.8432 47.4586 0.0000 175.3578 104 E 3.9712 8.2255 121.0964 59.0607 29.7398 178.6406 105 Q 4.0827 8.4861 117.8716 59.1794 28.9068 178.8274 106 A 3.9863 7.9046 121.3720 54.8428 18.1641 179.4598 107 E 3.7808 7.9049 117.5747 59.5355 29.8073 178.8069 108 A 3.9588 8.0736 120.5813 54.9843 18.4175 179.4838 109 A 3.7096 8.0982 119.6778 55.2249 18.3754 179.8664 110 I 3.6673 7.6434 118.2670 64.6852 36.9837 178.5242 111 N 4.3062 8.1661 115.8532 56.2651 38.4676 177.0998 112 A 3.9265 8.0950 121.3913 54.1954 18.4879 178.1540 113 F 4.9190 7.6689 112.2084 57.3571 40.1402 175.0111 114 H 4.3657 8.5506 122.6220 57.5118 29.4912 174.9711 115 Q 4.0822 9.2429 126.2988 55.7391 27.0598 173.7949 116 S 4.5618 7.6797 113.3044 57.5304 64.5288 172.7807 117 R 4.9010 8.3172 119.4587 54.3159 31.8701 175.5137 118 L 4.4350 9.0178 125.2403 54.0362 43.4488 176.5670 119 R 3.8162 9.6180 127.7288 57.5352 27.5609 176.8167 120 E 4.0043 8.3922 112.6319 56.1841 27.4576 174.8143 121 R 4.6654 7.6865 118.6694 54.0565 33.0228 174.7925 122 E 4.5580 8.8339 125.1456 56.1169 30.4879 175.6021 123 L 4.9864 9.1457 127.1297 53.0610 45.0861 175.8714 124 S 4.7141 8.9466 117.1707 56.7489 64.8751 172.5228 125 V 4.8501 8.3704 125.6340 61.5155 32.7728 174.6721 126 Q 4.6485 8.5628 123.9914 54.6376 32.5634 173.5711 127 L 4.3842 8.4013 120.1005 54.6580 42.3328 176.5705 128 Q 4.0255 8.6473 125.4613 55.7981 29.6370 174.1236 129 P 4.1544 0.0000 0.0000 63.6780 30.9858 176.2375 130 T 4.1980 8.4374 118.7786 63.4925 68.6958 174.6060 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 58 M 8.15 4.44 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.62 0.00 59 R 8.37 4.59 0.00 2.15 2.20 0.00 3.39 0.00 0.00 3.43 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 60 K 7.92 5.11 0.00 1.79 2.06 0.00 1.63 0.00 0.00 1.93 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.45 7.81 61 I 8.62 5.08 1.84 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 1.08 1.24 0.88 0.00 0.00 62 L 9.11 4.69 0.00 1.50 1.45 0.17 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.22 4.77 1.72 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.84 0.81 0.00 0.00 64 R 8.88 4.66 0.00 1.68 1.71 0.00 3.07 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 65 G 8.98 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 66 L 7.32 4.06 0.00 1.61 1.54 0.82 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.38 0.00 1.99 1.96 0.00 3.62 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 68 G 8.68 3.72 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 0.00 0.00 0.00 69 D 7.74 4.87 0.00 2.77 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 70 V 7.72 3.74 2.13 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 0.73 0.00 0.00 0.86 0.00 0.00 71 T 7.92 4.61 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 1.23 0.00 0.00 72 N 8.48 4.39 0.00 2.69 2.92 0.00 0.00 6.43 7.74 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 73 Q 8.09 3.83 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.66 0.00 74 E 7.93 3.89 0.00 2.07 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 2.31 2.30 0.00 75 V 8.04 3.52 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 0.91 0.00 0.00 0.84 0.00 0.00 76 H 8.27 4.19 0.00 3.31 3.34 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.25 4.45 0.00 2.77 2.70 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 78 L 7.68 3.90 0.00 1.55 1.76 0.45 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.79 4.87 0.00 1.83 1.84 0.83 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 80 S 7.91 4.41 0.00 3.98 4.09 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 0.00 0.00 0.00 81 D 8.02 4.48 0.00 2.46 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 0.00 0.00 0.00 82 Y 7.59 4.72 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 83 E 8.81 4.51 0.00 2.10 1.92 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 2.34 2.36 0.00 84 L 8.47 4.36 0.00 1.57 1.59 0.72 1.00 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 85 K 9.20 4.45 0.00 1.79 1.93 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.57 7.81 86 Y 7.80 5.03 0.00 3.04 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 87 C 7.60 4.67 0.00 2.78 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.95 4.61 0.00 2.94 2.99 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 89 V 7.68 4.12 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 0.79 0.00 0.00 90 D 9.04 4.52 0.00 2.98 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 91 K 8.51 3.98 0.00 1.88 1.83 0.00 1.69 0.00 0.00 1.89 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.39 7.81 92 Y 8.21 4.12 0.00 2.97 3.08 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 93 K 7.39 4.12 0.00 1.86 1.76 0.00 1.83 0.00 0.00 1.52 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.70 7.81 94 G 8.18 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 95 T 7.84 5.43 4.08 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 1.21 0.00 0.00 96 A 8.29 5.08 1.09 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 0.00 0.00 0.00 0.00 0.00 97 F 9.43 4.90 0.00 3.27 3.26 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 0.00 98 V 8.28 4.92 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 1.01 0.00 0.00 0.86 0.00 0.00 99 T 8.91 5.00 4.57 0.00 0.00 0.00 0.00 0.00 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 0.00 100 L 8.92 4.99 0.00 1.59 1.80 0.73 1.12 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 0.00 101 L 8.51 4.27 0.00 1.85 1.91 1.01 0.91 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 0.00 102 N 7.81 4.82 0.00 2.96 2.92 0.00 0.00 6.09 6.96 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 0.00 103 G 8.71 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 0.00 104 E 8.23 3.97 0.00 2.11 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 2.40 2.48 0.00 105 Q 8.49 4.08 0.00 2.38 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 106 A 7.90 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 7.90 3.78 0.00 2.19 2.12 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 2.30 2.35 0.00 108 A 8.07 3.96 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 0.00 0.00 0.00 0.00 0.00 109 A 8.10 3.71 0.98 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 0.00 110 I 7.64 3.67 2.03 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.74 0.89 0.00 0.00 111 N 8.17 4.31 0.00 2.64 2.84 0.00 0.00 7.07 8.18 0.00 0.00 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 A 8.09 3.93 0.65 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 0.00 113 F 7.67 4.92 0.00 3.22 2.95 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 0.00 0.00 0.00 114 H 8.55 4.37 0.00 3.27 3.33 0.00 5.96 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 9.24 4.08 0.00 2.13 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.67 0.00 0.00 0.00 0.00 0.00 2.34 1.94 0.00 116 S 7.68 4.56 0.00 4.11 4.10 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 0.00 0.00 0.00 117 R 8.32 4.90 0.00 1.80 1.87 0.00 3.32 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 118 L 9.02 4.43 0.00 1.58 1.47 0.87 0.82 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 0.00 119 R 9.62 3.82 0.00 1.90 1.90 0.00 3.27 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 120 E 8.39 4.00 0.00 2.11 2.20 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 2.17 2.24 0.00 121 R 7.69 4.67 0.00 1.77 1.77 0.00 3.26 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.57 0.00 122 E 8.83 4.56 0.00 1.96 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 2.25 2.32 0.00 123 L 9.15 4.99 0.00 1.56 1.50 0.86 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.95 4.71 0.00 3.87 3.96 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 0.00 125 V 8.37 4.85 2.16 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 0.85 0.00 0.00 1.07 0.00 0.00 126 Q 8.56 4.65 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 127 L 8.40 4.38 0.00 1.55 1.66 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 8.65 4.03 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.78 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 129 P 0.00 4.15 0.00 2.25 2.17 0.00 3.88 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 2.09 2.10 0.00 130 T 8.44 4.20 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