#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mcb h MET 80 N 0.00 0.00 -0.50 0.00 0.00 -1.99 -1.16 114.93 111.28 3mcb h MET 80 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 59.70 59.58 3mcb h MET 80 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 31.60 31.58 3mcb h MET 80 CO 0.00 0.00 -0.16 1.03 0.00 0.00 0.00 176.91 177.78 3mcb h SER 81 N 0.00 0.98 0.45 1.22 0.87 -1.92 -0.52 113.55 114.63 3mcb h SER 81 Ca 0.25 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 3mcb h SER 81 Cb 1.04 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 3mcb h SER 81 CO -0.00 1.12 0.00 0.11 -0.53 0.00 0.00 176.83 177.53 3mcb h LYS 82 N 0.85 0.00 -0.45 2.24 1.57 -1.52 0.81 116.57 120.08 3mcb h LYS 82 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3mcb h LYS 82 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 3mcb h LYS 82 CO 0.05 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.21 3mcb n LEU 83 N -2.41 3.10 0.00 2.94 4.77 -0.80 -4.92 117.00 119.68 3mcb n LEU 83 Ca 0.00 -1.42 0.00 0.00 -0.03 0.00 0.00 56.01 54.56 3mcb n LEU 83 Cb 0.16 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 3mcb n LEU 83 CO 0.17 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 3mcb n GLY 84 N 1.44 0.94 3.64 -0.72 0.00 0.28 -5.01 105.19 105.77 3mcb n GLY 84 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3mcb n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mcb s LEU 85 N 0.00 4.08 -0.24 0.99 1.43 -0.27 -4.15 118.68 120.52 3mcb s LEU 85 Ca 0.00 1.08 -0.09 0.00 -1.03 0.00 0.00 54.13 54.09 3mcb s LEU 85 Cb 0.00 -3.27 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 3mcb s LEU 85 CO 0.00 -0.57 0.13 -0.13 0.23 0.00 0.00 176.35 176.01 3mcb s ARG 86 N 2.96 3.96 0.18 1.70 1.81 -0.30 -3.22 118.95 126.03 3mcb s ARG 86 Ca 0.37 -0.33 -0.32 0.00 -1.72 0.00 0.00 55.73 53.73 3mcb s ARG 86 Cb -0.15 -3.46 -0.11 0.00 -0.45 0.00 0.00 34.95 30.77 3mcb s ARG 86 CO 0.08 0.01 1.77 -1.14 -0.68 0.00 0.00 175.30 175.34 3mcb s GLN 87 N 1.16 4.13 -0.50 3.54 0.74 -1.26 -0.95 119.66 126.51 3mcb s GLN 87 Ca 0.06 2.61 -0.28 0.00 0.05 0.00 0.00 55.36 57.80 3mcb s GLN 87 Cb -0.14 -3.27 0.02 0.00 1.10 0.00 0.00 33.01 30.72 3mcb s GLN 87 CO 0.05 -0.79 1.35 0.08 -0.55 0.00 0.00 175.29 175.43 3mcb s VAL 88 N 1.77 3.91 0.16 1.34 1.01 0.25 -4.88 120.40 123.96 3mcb s VAL 88 Ca 0.77 0.86 -0.32 0.00 0.00 0.00 0.00 61.98 63.29 3mcb s VAL 88 Cb -0.48 -4.41 -0.10 0.00 0.00 0.00 0.00 36.38 31.38 3mcb s VAL 88 CO 0.34 -1.02 1.56 0.42 0.00 0.00 0.00 175.10 176.39 3mcb s THR 89 N 5.52 2.66 -0.01 3.92 -4.23 -1.26 -3.35 115.64 118.88 3mcb s THR 89 Ca 0.54 0.47 0.00 0.00 -1.18 0.00 0.00 61.69 61.52 3mcb s THR 89 Cb -0.11 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.43 3mcb s THR 89 CO 0.29 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 175.01 3mcb n GLY 90 N 3.74 0.48 3.66 3.99 0.00 -1.26 -4.99 105.19 110.82 3mcb n GLY 90 Ca 0.14 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 3mcb n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mcb s VAL 91 N -1.97 4.05 -0.72 1.61 1.01 -1.21 -4.88 120.40 118.29 3mcb s VAL 91 Ca 0.00 1.29 0.09 0.00 0.00 0.00 0.00 61.98 63.36 3mcb s VAL 91 Cb 0.00 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 3mcb s VAL 91 CO 0.00 -0.10 0.54 0.35 0.00 0.00 0.00 175.10 175.89 3mcb n THR 92 N 5.31 0.00 -3.64 3.92 -2.24 -1.26 -4.68 114.28 111.69 3mcb n THR 92 Ca 0.15 -0.38 -0.08 0.00 -2.27 0.00 0.00 64.05 61.47 3mcb n THR 92 Cb 0.44 1.08 -0.07 0.00 -2.10 0.00 0.00 70.33 69.68 3mcb n THR 92 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3mcb s ARG 93 N -1.43 0.62 -0.06 -0.78 3.52 -1.26 -4.42 118.95 115.13 3mcb s ARG 93 Ca 0.06 0.91 0.03 0.00 -0.13 0.00 0.00 55.73 56.60 3mcb s ARG 93 Cb 0.07 0.21 0.01 0.00 -1.56 0.00 0.00 34.95 33.68 3mcb s ARG 93 CO 0.26 -0.10 -0.16 0.08 -0.81 0.00 0.00 175.30 174.57 3mcb s VAL 94 N 0.98 1.40 0.03 7.11 1.01 -0.53 -5.01 120.40 125.39 3mcb s VAL 94 Ca -0.05 -0.65 0.07 0.00 0.00 0.00 0.00 61.98 61.35 3mcb s VAL 94 Cb -0.05 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 3mcb s VAL 94 CO -0.11 0.41 -0.20 0.42 0.00 0.00 0.00 175.10 175.62 3mcb s THR 95 N 0.41 1.63 -0.18 3.92 -4.23 -1.26 -0.56 115.64 115.37 3mcb s THR 95 Ca -0.12 -1.13 -0.01 0.00 -1.18 0.00 0.00 61.69 59.25 3mcb s THR 95 Cb -0.15 -1.41 0.05 0.00 1.34 0.00 0.00 72.50 72.33 3mcb s THR 95 CO 0.04 0.24 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.72 3mcb s ILE 96 N -0.74 0.94 -0.30 2.99 1.01 -0.02 -4.98 121.20 120.10 3mcb s ILE 96 Ca 0.07 -0.65 -0.12 0.00 0.00 0.00 0.00 60.65 59.95 3mcb s ILE 96 Cb -0.09 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 3mcb s ILE 96 CO 0.01 -0.01 0.24 -0.60 0.00 0.00 0.00 174.94 174.59 3mcb s ARG 97 N 1.69 3.79 -0.14 2.79 3.52 -1.26 -0.57 118.95 128.77 3mcb s ARG 97 Ca -0.01 -0.38 -0.19 0.00 -0.13 0.00 0.00 55.73 55.02 3mcb s ARG 97 Cb -0.16 -3.71 -0.17 0.00 -1.56 0.00 0.00 34.95 29.34 3mcb s ARG 97 CO -0.07 -0.30 0.42 -0.22 -0.81 0.00 0.00 175.30 174.32 3mcb h LYS 98 N 8.39 0.00 0.00 5.12 3.11 -1.76 -3.47 116.57 127.96 3mcb h LYS 98 Ca -0.33 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.51 3mcb h LYS 98 Cb 1.17 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.40 3mcb h LYS 98 CO 0.60 0.69 0.00 -1.13 -2.81 0.00 0.00 179.45 176.79 3mcb n SER 99 N -4.62 0.00 0.00 4.20 3.41 -1.26 -5.03 113.62 110.32 3mcb n SER 99 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 3mcb n SER 99 Cb 0.38 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 3mcb n SER 99 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3mcb n LYS 100 N -1.66 2.21 0.00 4.33 4.76 -1.26 -4.95 118.16 121.59 3mcb n LYS 100 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3mcb n LYS 100 Cb 0.00 -0.18 0.00 0.00 -1.84 0.00 0.00 35.03 33.01 3mcb n LYS 100 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3mcb n ASN 101 N 0.00 4.36 -4.71 4.39 5.03 -1.26 -4.86 115.26 118.22 3mcb n ASN 101 Ca 0.00 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.05 3mcb n ASN 101 Cb 0.00 0.52 -0.05 0.00 -1.02 0.00 0.00 39.78 39.23 3mcb n ASN 101 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 3mcb s ILE 102 N -1.85 5.06 -0.13 2.41 -1.16 -1.26 0.92 121.20 125.19 3mcb s ILE 102 Ca 0.00 1.33 -0.00 0.00 -0.51 0.00 0.00 60.65 61.47 3mcb s ILE 102 Cb 0.00 -3.99 0.03 0.00 0.61 0.00 0.00 42.46 39.10 3mcb s ILE 102 CO 0.00 0.23 -0.09 -0.22 -2.81 0.00 0.00 174.94 172.05 3mcb s LEU 103 N 1.00 1.34 0.00 8.50 2.96 -0.29 -1.83 118.68 130.37 3mcb s LEU 103 Ca 0.34 -0.38 -0.22 0.00 -0.22 0.00 0.00 54.13 53.65 3mcb s LEU 103 Cb -0.17 -0.92 -0.05 0.00 0.50 0.00 0.00 46.19 45.54 3mcb s LEU 103 CO 0.15 -0.11 0.64 -0.36 -1.32 0.00 0.00 176.35 175.35 3mcb s PHE 104 N 1.65 3.69 -0.08 5.38 0.40 0.26 -0.04 117.98 129.24 3mcb s PHE 104 Ca 0.04 1.26 0.01 0.00 -0.60 0.00 0.00 56.93 57.65 3mcb s PHE 104 Cb -0.13 -2.66 0.02 0.00 0.51 0.00 0.00 43.02 40.76 3mcb s PHE 104 CO -0.09 0.32 -0.10 0.08 0.70 0.00 0.00 175.22 176.13 3mcb s VAL 105 N -0.12 1.08 -0.37 -0.44 1.01 -0.23 -0.84 120.40 120.49 3mcb s VAL 105 Ca 0.33 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.86 3mcb s VAL 105 Cb -0.19 -1.03 0.08 0.00 0.00 0.00 0.00 36.38 35.24 3mcb s VAL 105 CO 0.18 0.36 0.15 -0.63 0.00 0.00 0.00 175.10 175.16 3mcb s ILE 106 N 1.03 3.45 -0.83 2.22 1.01 0.28 -0.61 121.20 127.75 3mcb s ILE 106 Ca -0.08 -1.62 0.25 0.00 0.00 0.00 0.00 60.65 59.20 3mcb s ILE 106 Cb -0.15 -3.16 0.05 0.00 0.01 0.00 0.00 42.46 39.21 3mcb s ILE 106 CO -0.01 -0.43 1.42 0.35 0.00 0.00 0.00 174.94 176.27 3mcb n THR 107 N 4.69 0.17 -3.22 2.92 -2.24 -1.26 -1.46 114.28 113.89 3mcb n THR 107 Ca -0.08 -0.13 -0.24 0.00 -2.27 0.00 0.00 64.05 61.33 3mcb n THR 107 Cb 0.43 -0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.59 3mcb n THR 107 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3mcb n LYS 108 N -1.80 1.61 -2.69 -0.78 4.81 -1.26 -4.66 118.16 113.39 3mcb n LYS 108 Ca 0.05 -3.88 -0.30 0.00 -0.87 0.00 0.00 58.31 53.30 3mcb n LYS 108 Cb 0.39 -1.74 -0.03 0.00 0.02 0.00 0.00 35.03 33.67 3mcb n LYS 108 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3mcb s PRO 109 N -2.10 3.77 -0.21 1.64 0.04 -1.26 -4.60 135.00 132.28 3mcb s PRO 109 Ca 0.39 0.55 -0.01 0.00 0.04 0.00 0.00 61.00 61.96 3mcb s PRO 109 Cb 0.21 -2.32 0.06 0.00 0.04 0.00 0.00 34.50 32.49 3mcb s PRO 109 CO -0.08 -0.13 0.01 0.34 0.04 0.00 0.00 177.00 177.18 3mcb s ASP 110 N -3.30 3.29 -0.12 6.66 2.15 -0.03 -4.83 116.67 120.49 3mcb s ASP 110 Ca 0.52 -0.98 0.00 0.00 0.43 0.00 0.00 52.55 52.52 3mcb s ASP 110 Cb -0.10 -0.81 -0.02 0.00 -0.30 0.00 0.00 42.92 41.69 3mcb s ASP 110 CO 0.34 -0.29 -0.14 -0.69 -0.17 0.00 0.00 175.17 174.23 3mcb s VAL 111 N 1.68 3.01 -0.02 1.11 1.01 -1.26 -0.60 120.40 125.32 3mcb s VAL 111 Ca -0.02 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.33 3mcb s VAL 111 Cb -0.18 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 3mcb s VAL 111 CO -0.08 0.53 -0.20 -0.31 0.00 0.00 0.00 175.10 175.04 3mcb s TYR 112 N 0.24 1.83 -0.08 5.22 1.51 0.07 0.88 117.35 127.02 3mcb s TYR 112 Ca -0.09 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.59 3mcb s TYR 112 Cb -0.15 -1.19 -0.03 0.00 -0.11 0.00 0.00 41.96 40.48 3mcb s TYR 112 CO 0.05 -0.06 -0.06 0.21 -1.11 0.00 0.00 175.55 174.58 3mcb s LYS 113 N -0.38 2.84 -0.78 -0.62 2.47 -0.13 0.14 119.74 123.28 3mcb s LYS 113 Ca 0.05 -0.54 -0.23 0.00 -1.56 0.00 0.00 55.97 53.69 3mcb s LYS 113 Cb -0.09 -2.62 0.07 0.00 -1.46 0.00 0.00 37.83 33.73 3mcb s LYS 113 CO -0.00 0.63 1.14 -1.54 0.16 0.00 0.00 175.35 175.74 3mcb s SER 114 N -0.70 6.31 0.36 1.43 1.04 -1.03 -1.15 113.70 119.95 3mcb s SER 114 Ca 0.11 -1.14 0.14 0.00 0.48 0.00 0.00 55.95 55.54 3mcb s SER 114 Cb -0.11 -2.47 0.76 0.00 0.10 0.00 0.00 66.02 64.30 3mcb s SER 114 CO 0.02 -1.47 1.33 -0.65 0.98 0.00 0.00 173.24 173.45 3mcb h PRO 115 N 9.57 0.00 -0.01 4.02 0.11 -1.90 0.22 132.00 144.01 3mcb h PRO 115 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 3mcb h PRO 115 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3mcb h PRO 115 CO 1.23 0.00 -0.30 0.00 -0.21 0.00 0.00 178.00 178.72 3mcb n ALA 116 N -1.58 3.16 -3.05 -0.75 0.00 -1.26 -4.96 120.51 112.07 3mcb n ALA 116 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.98 3mcb n ALA 116 Cb 0.35 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.73 3mcb n ALA 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3mcb n SER 117 N -0.52 0.25 -1.81 0.00 2.88 0.75 -5.07 113.62 110.10 3mcb n SER 117 Ca 0.12 -0.41 -0.20 0.00 -1.33 0.00 0.00 58.87 57.04 3mcb n SER 117 Cb 0.37 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.90 3mcb n SER 117 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3mcb n ASP 118 N -1.14 4.70 -4.47 -3.46 5.75 -1.26 -4.80 116.55 111.87 3mcb n ASP 118 Ca 0.00 -3.78 -0.32 0.00 -0.01 0.00 0.00 54.79 50.68 3mcb n ASP 118 Cb 0.00 -0.50 -0.13 0.00 -1.03 0.00 0.00 41.12 39.46 3mcb n ASP 118 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3mcb s THR 119 N -4.32 2.95 -0.03 2.12 2.01 -1.26 -5.07 115.64 112.03 3mcb s THR 119 Ca 0.51 -0.95 0.06 0.00 0.31 0.00 0.00 61.69 61.62 3mcb s THR 119 Cb 0.42 -2.20 -0.01 0.00 0.01 0.00 0.00 72.50 70.72 3mcb s THR 119 CO 0.01 0.46 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.88 3mcb s TYR 120 N -0.83 2.05 -0.16 4.92 1.51 -1.26 -2.46 117.35 121.11 3mcb s TYR 120 Ca 0.13 -0.50 -0.04 0.00 -1.01 0.00 0.00 57.07 55.66 3mcb s TYR 120 Cb -0.11 -1.34 -0.03 0.00 -0.11 0.00 0.00 41.96 40.38 3mcb s TYR 120 CO 0.03 -0.11 -0.03 0.42 -1.11 0.00 0.00 175.55 174.75 3mcb s ILE 121 N -0.30 3.91 -0.30 2.71 1.01 0.12 -4.95 121.20 123.40 3mcb s ILE 121 Ca 0.03 -0.35 -0.02 0.00 0.00 0.00 0.00 60.65 60.30 3mcb s ILE 121 Cb -0.11 -2.72 0.04 0.00 0.01 0.00 0.00 42.46 39.69 3mcb s ILE 121 CO 0.01 0.48 0.00 -0.69 0.00 0.00 0.00 174.94 174.75 3mcb s VAL 122 N 0.47 3.09 -0.03 2.92 1.01 -1.26 -0.75 120.40 125.84 3mcb s VAL 122 Ca -0.03 -1.27 -0.13 0.00 0.00 0.00 0.00 61.98 60.54 3mcb s VAL 122 Cb -0.14 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 3mcb s VAL 122 CO 0.03 -0.06 0.36 -0.36 0.00 0.00 0.00 175.10 175.07 3mcb s PHE 123 N 1.29 3.68 0.00 5.22 0.40 0.23 -4.93 117.98 123.87 3mcb s PHE 123 Ca -0.04 0.89 0.00 0.00 -0.60 0.00 0.00 56.93 57.18 3mcb s PHE 123 Cb -0.19 -2.24 0.00 0.00 0.51 0.00 0.00 43.02 41.10 3mcb s PHE 123 CO -0.01 0.62 0.00 0.41 0.70 0.00 0.00 175.22 176.94 3mcb n GLY 124 N 1.99 4.14 3.71 4.36 0.00 -1.26 -0.85 105.19 117.28 3mcb n GLY 124 Ca -0.15 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 3mcb n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mcb s GLU 125 N -2.94 4.33 0.08 1.61 2.02 -1.26 -5.00 118.70 117.53 3mcb s GLU 125 Ca 0.00 2.05 -0.11 0.00 0.02 0.00 0.00 54.97 56.94 3mcb s GLU 125 Cb 0.00 -3.26 -0.06 0.00 0.10 0.00 0.00 34.13 30.91 3mcb s GLU 125 CO 0.00 -0.43 0.42 0.00 0.02 0.00 0.00 175.26 175.27 3mcb s ALA 126 N 1.13 3.70 0.30 5.21 0.00 -1.26 -4.20 121.76 126.63 3mcb s ALA 126 Ca 0.64 -0.33 0.11 0.00 0.00 0.00 0.00 51.96 52.38 3mcb s ALA 126 Cb -0.36 -2.31 -0.05 0.00 0.00 0.00 0.00 23.12 20.39 3mcb s ALA 126 CO 0.30 0.54 -0.17 -1.59 0.00 0.00 0.00 175.76 174.84 3mcb s LYS 127 N -1.87 1.73 -0.21 0.00 -2.85 0.22 -4.93 119.74 111.82 3mcb s LYS 127 Ca 0.33 -1.81 -0.07 0.00 -1.00 0.00 0.00 55.97 53.43 3mcb s LYS 127 Cb -0.14 -1.76 -0.03 0.00 -2.06 0.00 0.00 37.83 33.83 3mcb s LYS 127 CO 0.18 0.28 0.06 0.42 0.10 0.00 0.00 175.35 176.39 3mcb s ILE 128 N -2.53 4.46 0.11 3.79 1.01 -1.26 -1.07 121.20 125.70 3mcb s ILE 128 Ca 0.31 -0.14 0.07 0.00 0.00 0.00 0.00 60.65 60.89 3mcb s ILE 128 Cb -0.03 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 3mcb s ILE 128 CO 0.15 0.40 -0.08 -1.61 0.00 0.00 0.00 174.94 173.81 3mcb s GLU 129 N 0.97 2.19 -0.19 2.79 2.02 0.94 -4.99 118.70 122.44 3mcb s GLU 129 Ca 0.03 -1.01 -0.04 0.00 0.02 0.00 0.00 54.97 53.97 3mcb s GLU 129 Cb -0.14 -2.34 -0.02 0.00 0.10 0.00 0.00 34.13 31.73 3mcb s GLU 129 CO 0.03 0.51 -0.02 0.34 0.02 0.00 0.00 175.26 176.14 3mcb s ASP 130 N -2.26 4.77 -0.85 -0.19 3.68 -1.26 -1.13 116.67 119.42 3mcb s ASP 130 Ca 0.22 -0.19 -0.05 0.00 2.13 0.00 0.00 52.55 54.66 3mcb s ASP 130 Cb -0.11 -1.80 0.08 0.00 -1.45 0.00 0.00 42.92 39.64 3mcb s ASP 130 CO 0.15 0.09 2.62 0.18 0.13 0.00 0.00 175.17 178.34 3mcb n LEU 131 N 4.04 7.18 0.00 -1.34 4.77 0.26 -4.99 117.00 126.92 3mcb n LEU 131 Ca -0.17 -4.43 0.00 0.00 -0.03 0.00 0.00 56.01 51.38 3mcb n LEU 131 Cb 0.52 -1.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.31 3mcb n LEU 131 CO 0.32 1.89 0.00 -1.54 -1.33 0.00 0.00 177.39 176.72