NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 52 H 4.6340 8.4444 120.3911 56.0080 31.0713 171.3825 53 Q 4.0964 7.3594 121.7314 54.2536 29.5657 173.2161 54 I 4.2444 8.3014 126.5693 60.1154 39.3729 174.8756 55 V 4.1866 8.1317 123.5293 61.2753 33.9502 174.3257 56 H 4.7603 8.7466 124.1827 54.2876 29.3553 173.7296 57 V 4.2897 8.0748 118.6931 58.8900 32.5990 176.5958 58 R 4.1254 8.4275 121.9112 55.6475 30.1675 177.7508 59 G 3.7759 8.8971 109.0080 49.1386 0.0000 175.4626 60 D 4.7492 7.8060 120.6394 53.5512 39.4789 177.9017 61 S 4.1757 7.7630 117.8189 62.5869 63.1212 175.7446 62 E 3.9538 8.0997 119.5461 60.0560 29.3666 179.3229 63 T 3.8591 7.9120 115.9552 66.6295 68.5937 175.8073 64 D 4.3681 8.3274 120.0601 57.0619 40.8040 178.0596 65 L 4.0083 8.2265 121.0625 58.3801 42.1201 178.8218 66 E 4.1247 8.3775 118.2625 59.4340 29.2076 179.3083 67 A 4.7985 8.0692 122.2733 54.5468 18.1908 179.3743 68 L 3.9098 7.7847 118.2425 57.8200 42.2846 178.8607 69 F 4.2742 7.8758 116.5491 59.8398 39.3760 177.3474 70 N 4.6457 8.5129 114.5123 54.0424 37.0520 176.2936 71 A 4.1332 7.8052 123.0860 54.0679 18.5317 178.6043 72 V 4.1771 7.7826 115.6941 64.3258 33.4552 176.8771 73 M 4.4617 8.0837 115.5166 55.6585 33.5515 176.2536 74 N 4.6396 7.4674 111.8670 51.8054 39.0057 173.2391 75 P 4.2834 0.0000 0.0000 66.2924 32.0566 179.1627 76 K 3.7636 8.0541 115.9837 58.8722 32.3135 177.8311 77 T 4.2574 7.2930 114.0885 64.8797 69.5063 175.6177 78 A 4.1117 7.8530 123.3030 52.2953 19.2954 177.3109 79 N 4.8865 8.4524 120.2599 52.7120 38.6560 174.7956 80 V 4.3172 7.1730 111.1505 59.0010 34.0251 174.9986 81 P 4.3384 0.0000 0.0000 63.1344 31.7793 175.5961 82 Q 4.6740 8.3747 121.3223 54.5596 31.0930 174.5150 83 T 4.6251 7.9528 112.3099 59.8133 72.1555 173.2190 84 V 3.9875 8.1111 121.4792 60.7289 31.7920 173.7320 85 P 4.3186 0.0000 0.0000 63.1917 31.8059 177.5297 86 M 4.1415 8.8032 121.2699 58.5159 32.1421 178.9406 87 R 3.0577 7.9276 116.3059 57.9161 30.2768 177.1196 88 L 4.3607 7.5098 115.9871 54.8997 42.5661 176.9012 89 R 4.2120 7.2457 117.8826 55.6950 30.6721 177.5579 90 K 4.3248 8.1148 119.6044 55.0309 30.5204 176.2822 91 L 4.7871 7.5853 120.9786 51.4247 45.4505 174.9622 92 P 4.4932 0.0000 0.0000 62.9039 32.2706 177.5579 93 D 4.5543 8.7628 120.4601 57.4524 40.7254 179.0487 94 S 4.1676 8.2497 114.5949 61.5296 62.5444 175.9950 95 F 3.6378 7.7333 123.2160 60.1115 38.9771 175.3954 96 F 4.8138 7.9865 113.0235 56.5210 40.5707 174.7649 97 K 4.4755 7.9653 120.6707 53.9714 32.7492 174.3134 98 P 4.3203 0.0000 0.0000 61.6162 31.9426 175.0471 99 P 4.2931 0.0000 0.0000 63.1973 31.8451 176.4459 100 E 4.2749 8.6361 120.4859 56.5421 29.8949 175.8849 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 52 H 8.44 4.63 0.00 3.09 3.33 0.00 5.88 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 7.36 4.10 0.00 1.97 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.67 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 54 I 8.30 4.24 1.81 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 1.31 0.57 0.88 0.00 0.00 55 V 8.13 4.19 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 0.83 0.00 0.00 0.90 0.00 0.00 56 H 8.75 4.76 0.00 3.15 3.20 0.00 5.73 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.07 4.29 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 0.77 0.00 0.00 0.95 0.00 0.00 58 R 8.43 4.13 0.00 2.00 2.07 0.00 3.34 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 59 G 8.90 3.78 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 0.00 0.00 0.00 60 D 7.81 4.75 0.00 2.89 2.89 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 61 S 7.76 4.18 0.00 4.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.10 3.95 0.00 2.16 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 0.00 2.37 2.36 0.00 63 T 7.91 3.86 4.41 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 1.23 0.00 0.00 64 D 8.33 4.37 0.00 2.89 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 65 L 8.23 4.01 0.00 1.93 1.78 0.95 1.24 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 66 E 8.38 4.12 0.00 2.24 2.02 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 0.00 2.32 2.33 0.00 67 A 8.07 4.80 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 0.00 0.00 68 L 7.78 3.91 0.00 1.92 1.91 0.89 0.79 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 69 F 7.88 4.27 0.00 3.27 3.09 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 70 N 8.51 4.65 0.00 3.13 3.12 0.00 0.00 6.98 8.31 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 71 A 7.81 4.13 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 72 V 7.78 4.18 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 0.91 0.00 0.00 0.87 0.00 0.00 73 M 8.08 4.46 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.75 0.00 74 N 7.47 4.64 0.00 2.77 2.91 0.00 0.00 6.86 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.28 0.00 2.20 2.14 0.00 3.60 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 76 K 8.05 3.76 0.00 1.75 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.41 7.81 77 T 7.29 4.26 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 1.22 0.00 0.00 78 A 7.85 4.11 1.37 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 0.00 0.00 79 N 8.45 4.89 0.00 2.66 2.76 0.00 0.00 7.01 7.71 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 80 V 7.17 4.32 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 0.79 0.00 0.00 0.93 0.00 0.00 81 P 0.00 4.34 0.00 2.03 2.00 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 82 Q 8.37 4.67 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 83 T 7.95 4.63 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 84 V 8.11 3.99 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 0.81 0.00 0.00 0.92 0.00 0.00 85 P 0.00 4.32 0.00 2.18 1.96 0.00 3.64 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 86 M 8.80 4.14 0.00 2.20 2.41 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.59 0.00 87 R 7.93 3.06 0.00 1.56 1.58 0.00 3.05 0.00 0.00 2.97 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.32 0.00 88 L 7.51 4.36 0.00 1.70 1.66 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 89 R 7.25 4.21 0.00 1.89 1.83 0.00 3.30 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 90 K 8.11 4.32 0.00 1.72 1.76 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.43 7.81 91 L 7.59 4.79 0.00 1.54 1.13 0.43 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.49 0.00 2.26 2.03 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 93 D 8.76 4.55 0.00 2.78 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.25 4.17 0.00 4.03 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 0.00 95 F 7.73 3.64 0.00 2.89 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 0.00 0.00 0.00 0.00 96 F 7.99 4.81 0.00 3.16 3.06 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 K 7.97 4.48 0.00 1.86 1.87 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.40 7.81 98 P 0.00 4.32 0.00 2.05 2.00 0.00 3.71 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 99 P 0.00 4.29 0.00 2.01 1.98 0.00 3.58 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 100 E 8.64 4.27 0.00 1.91 1.80 0.00 0.00 0.00 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 2.41 0.00