#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e90 s THR 50 N 0.00 5.23 -0.51 2.61 -4.23 -1.26 -4.95 115.64 112.53 3e90 s THR 50 Ca 0.00 -0.26 0.09 0.00 -1.18 0.00 0.00 61.69 60.34 3e90 s THR 50 Cb 0.00 -3.68 0.23 0.00 1.34 0.00 0.00 72.50 70.39 3e90 s THR 50 CO 0.00 -0.06 1.19 0.47 -0.54 0.00 0.00 174.62 175.68 3e90 n ASP 51 N -0.27 2.71 -4.51 3.99 8.00 -1.26 -4.97 116.55 120.23 3e90 n ASP 51 Ca -0.04 -2.18 -0.33 0.00 0.71 0.00 0.00 54.79 52.95 3e90 n ASP 51 Cb 0.53 -0.21 -0.12 0.00 -0.02 0.00 0.00 41.12 41.30 3e90 n ASP 51 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3e90 s MET 52 N -1.32 2.74 0.31 -1.24 -1.94 -1.26 -5.12 119.30 111.48 3e90 s MET 52 Ca 0.19 -0.63 -0.04 0.00 -1.71 0.00 0.00 55.69 53.50 3e90 s MET 52 Cb 0.12 -2.51 -0.00 0.00 2.01 0.00 0.00 34.83 34.44 3e90 s MET 52 CO 0.09 0.58 0.44 1.67 -0.01 0.00 0.00 175.02 177.79 3e90 s TRP 53 N -0.60 0.95 0.15 -0.03 -2.14 -1.26 -5.18 118.94 110.82 3e90 s TRP 53 Ca 0.09 -1.20 0.07 0.00 2.66 0.00 0.00 56.10 57.71 3e90 s TRP 53 Cb -0.11 -0.09 -0.04 0.00 -3.10 0.00 0.00 33.47 30.13 3e90 s TRP 53 CO 0.01 -1.06 -0.15 0.96 -2.66 0.00 0.00 176.95 174.06 3e90 s ILE 54 N -3.34 1.49 -0.05 0.66 -4.36 -1.26 -5.14 121.20 109.20 3e90 s ILE 54 Ca 0.30 -1.87 -0.01 0.00 -0.26 0.00 0.00 60.65 58.81 3e90 s ILE 54 Cb 0.00 -1.71 0.03 0.00 1.25 0.00 0.00 42.46 42.03 3e90 s ILE 54 CO 0.17 -0.45 0.03 -1.61 0.24 0.00 0.00 174.94 173.32 3e90 s GLU 55 N -2.95 0.23 0.28 0.37 2.02 -1.26 -5.12 118.70 112.27 3e90 s GLU 55 Ca 0.13 0.22 -0.30 0.00 0.02 0.00 0.00 54.97 55.04 3e90 s GLU 55 Cb -0.04 -0.65 -0.10 0.00 0.10 0.00 0.00 34.13 33.44 3e90 s GLU 55 CO 0.04 -0.27 1.47 0.50 0.02 0.00 0.00 175.26 177.02 3e90 s ARG 56 N 1.81 4.22 0.00 1.61 3.52 -1.26 -4.89 118.95 123.96 3e90 s ARG 56 Ca 0.01 2.39 0.00 0.00 -0.13 0.00 0.00 55.73 58.00 3e90 s ARG 56 Cb -0.12 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.19 3e90 s ARG 56 CO -0.03 -0.47 0.00 -2.37 -0.81 0.00 0.00 175.30 171.62 3e90 n THR 57 N 2.01 0.00 -3.63 4.11 5.66 -1.26 -5.13 114.28 116.04 3e90 n THR 57 Ca 0.06 -0.17 0.01 0.00 -3.05 0.00 0.00 64.05 60.91 3e90 n THR 57 Cb 0.40 0.71 -0.00 0.00 -1.55 0.00 0.00 70.33 69.88 3e90 n THR 57 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3e90 s ALA 58 N -0.78 -2.23 0.37 1.79 0.00 -1.26 -5.16 121.76 114.48 3e90 s ALA 58 Ca 0.00 0.65 -0.07 0.00 0.00 0.00 0.00 51.96 52.54 3e90 s ALA 58 Cb 0.00 0.38 -0.05 0.00 0.00 0.00 0.00 23.12 23.45 3e90 s ALA 58 CO 0.00 -1.06 0.68 -0.51 0.00 0.00 0.00 175.76 174.87 3e90 s ASP 59 N -3.01 6.45 -0.52 0.00 1.01 -1.26 -5.01 116.67 114.33 3e90 s ASP 59 Ca 0.15 0.92 -0.27 0.00 0.71 0.00 0.00 52.55 54.05 3e90 s ASP 59 Cb 0.05 -2.23 0.03 0.00 1.01 0.00 0.00 42.92 41.78 3e90 s ASP 59 CO -0.04 -0.34 1.05 -0.63 0.21 0.00 0.00 175.17 175.43 3e90 s ILE 60 N -2.31 4.27 -0.02 0.77 1.01 -1.26 -4.96 121.20 118.71 3e90 s ILE 60 Ca 0.47 0.80 -0.22 0.00 0.00 0.00 0.00 60.65 61.70 3e90 s ILE 60 Cb -0.10 -4.58 0.05 0.00 0.01 0.00 0.00 42.46 37.83 3e90 s ILE 60 CO 0.33 -1.08 0.49 -0.55 0.00 0.00 0.00 174.94 174.13 3e90 s SER 61 N 2.63 -0.41 0.00 3.58 0.15 -1.26 -5.14 113.70 113.24 3e90 s SER 61 Ca 0.40 0.34 -0.17 0.00 0.70 0.00 0.00 55.95 57.21 3e90 s SER 61 Cb -0.09 0.43 -0.06 0.00 -1.71 0.00 0.00 66.02 64.60 3e90 s SER 61 CO 0.26 -0.57 0.48 0.86 1.20 0.00 0.00 173.24 175.48 3e90 s TRP 62 N -1.52 3.71 -0.20 3.44 -0.11 -1.26 -5.06 118.94 117.94 3e90 s TRP 62 Ca -0.11 1.08 -0.03 0.00 1.22 0.00 0.00 56.10 58.26 3e90 s TRP 62 Cb -0.02 -2.42 -0.01 0.00 -1.50 0.00 0.00 33.47 29.51 3e90 s TRP 62 CO 0.05 0.52 -0.06 -1.21 -4.62 0.00 0.00 176.95 171.63 3e90 s GLU 63 N -0.71 3.39 0.47 5.86 0.41 -1.26 -5.00 118.70 121.86 3e90 s GLU 63 Ca 0.26 -0.63 0.18 0.00 -0.41 0.00 0.00 54.97 54.37 3e90 s GLU 63 Cb -0.17 -2.92 1.13 0.00 -1.78 0.00 0.00 34.13 30.39 3e90 s GLU 63 CO 0.15 -0.08 2.02 0.66 -0.49 0.00 0.00 175.26 177.51 3e90 h SER 64 N 7.73 0.00 -0.47 -0.19 4.64 -2.06 -2.78 113.55 120.42 3e90 h SER 64 Ca -0.38 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.93 3e90 h SER 64 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 3e90 h SER 64 CO 0.60 0.16 0.01 -0.90 -0.87 0.00 0.00 176.83 175.83 3e90 n ASP 65 N -4.15 4.78 -4.69 4.97 5.75 -1.26 -4.95 116.55 117.00 3e90 n ASP 65 Ca -0.02 -2.76 -0.42 0.00 -0.01 0.00 0.00 54.79 51.58 3e90 n ASP 65 Cb 0.24 -0.65 -0.03 0.00 -1.03 0.00 0.00 41.12 39.65 3e90 n ASP 65 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3e90 s ALA 66 N -2.42 3.54 0.50 2.12 0.00 -1.05 -4.99 121.76 119.46 3e90 s ALA 66 Ca 0.44 0.85 -0.22 0.00 0.00 0.00 0.00 51.96 53.03 3e90 s ALA 66 Cb 0.33 -3.55 -0.06 0.00 0.00 0.00 0.00 23.12 19.84 3e90 s ALA 66 CO 0.13 -0.79 1.20 -1.21 0.00 0.00 0.00 175.76 175.08 3e90 s GLU 67 N 2.05 3.51 -0.12 0.00 0.41 -1.26 -5.02 118.70 118.26 3e90 s GLU 67 Ca 0.62 1.83 -0.07 0.00 -0.41 0.00 0.00 54.97 56.94 3e90 s GLU 67 Cb -0.30 -2.27 -0.04 0.00 -1.78 0.00 0.00 34.13 29.74 3e90 s GLU 67 CO 0.26 -0.78 0.13 -1.50 -0.49 0.00 0.00 175.26 172.89 3e90 s ILE 68 N -1.55 5.43 0.34 -1.63 2.07 -1.26 -5.09 121.20 119.52 3e90 s ILE 68 Ca 0.68 0.18 -0.07 0.00 -1.41 0.00 0.00 60.65 60.02 3e90 s ILE 68 Cb -0.30 -3.36 0.01 0.00 0.13 0.00 0.00 42.46 38.94 3e90 s ILE 68 CO 0.35 0.62 0.55 0.28 -1.91 0.00 0.00 174.94 174.83 3e90 s THR 69 N -1.02 0.00 0.00 4.00 -1.32 -1.26 -5.15 115.64 110.88 3e90 s THR 69 Ca 0.15 -1.42 0.00 0.00 -1.21 0.00 0.00 61.69 59.21 3e90 s THR 69 Cb -0.12 -2.62 0.00 0.00 -1.51 0.00 0.00 72.50 68.25 3e90 s THR 69 CO 0.04 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.06 3e90 n GLY 70 N -0.53 -2.35 3.16 6.08 0.00 -1.26 -5.04 105.19 105.25 3e90 n GLY 70 Ca -0.02 -1.56 -0.08 0.00 0.00 0.00 0.00 46.02 44.36 3e90 n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3e90 s SER 71 N -2.11 0.29 -0.56 1.61 1.04 -1.26 -5.07 113.70 107.64 3e90 s SER 71 Ca 0.00 -0.87 -0.03 0.00 0.48 0.00 0.00 55.95 55.53 3e90 s SER 71 Cb 0.00 0.28 0.23 0.00 0.10 0.00 0.00 66.02 66.63 3e90 s SER 71 CO 0.00 -0.69 2.32 -1.20 0.98 0.00 0.00 173.24 174.65 3e90 n SER 72 N -0.00 6.94 -4.63 7.02 7.64 -1.26 -5.01 113.62 124.32 3e90 n SER 72 Ca -0.13 -3.43 -0.36 0.00 1.01 0.00 0.00 58.87 55.96 3e90 n SER 72 Cb 0.62 -1.12 0.08 0.00 -1.01 0.00 0.00 64.21 62.79 3e90 n SER 72 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3e90 n GLU 73 N 0.13 0.59 -3.94 1.43 -0.58 -1.26 -5.02 120.64 112.00 3e90 n GLU 73 Ca 0.49 0.26 -0.31 0.00 -0.42 0.00 0.00 57.16 57.18 3e90 n GLU 73 Cb 0.50 -2.26 -0.15 0.00 -0.57 0.00 0.00 31.44 28.96 3e90 n GLU 73 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3e90 s ARG 74 N -3.32 1.48 0.16 3.49 0.52 -1.26 -5.12 118.95 114.90 3e90 s ARG 74 Ca 0.75 -1.30 0.10 0.00 -0.52 0.00 0.00 55.73 54.75 3e90 s ARG 74 Cb -0.35 -2.69 -0.04 0.00 0.52 0.00 0.00 34.95 32.38 3e90 s ARG 74 CO 0.49 -0.76 -0.18 0.14 0.02 0.00 0.00 175.30 175.00 3e90 s VAL 75 N 1.26 2.76 -0.21 3.52 -7.23 -1.26 -5.11 120.40 114.13 3e90 s VAL 75 Ca 0.02 -1.71 -0.20 0.00 -1.81 0.00 0.00 61.98 58.28 3e90 s VAL 75 Cb -0.19 -2.31 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 3e90 s VAL 75 CO -0.10 -0.02 0.59 -1.81 -0.31 0.00 0.00 175.10 173.45 3e90 s ASP 76 N -2.46 6.61 0.22 4.85 1.01 -1.26 -5.04 116.67 120.60 3e90 s ASP 76 Ca 0.20 0.74 0.01 0.00 0.71 0.00 0.00 52.55 54.21 3e90 s ASP 76 Cb -0.09 -2.32 -0.05 0.00 1.01 0.00 0.00 42.92 41.47 3e90 s ASP 76 CO 0.11 -0.26 0.08 0.68 0.21 0.00 0.00 175.17 175.99 3e90 s VAL 77 N 1.94 0.47 -0.00 -1.27 -7.23 -1.26 -1.32 120.40 111.72 3e90 s VAL 77 Ca 0.26 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.45 3e90 s VAL 77 Cb -0.16 -2.46 -0.00 0.00 0.56 0.00 0.00 36.38 34.32 3e90 s VAL 77 CO 0.10 -0.14 -0.02 -0.60 -0.31 0.00 0.00 175.10 174.13 3e90 s ARG 78 N -4.03 0.18 -0.45 4.82 3.52 -0.35 -4.80 118.95 117.85 3e90 s ARG 78 Ca 0.34 -0.07 -0.12 0.00 -0.13 0.00 0.00 55.73 55.75 3e90 s ARG 78 Cb 0.07 -0.19 0.08 0.00 -1.56 0.00 0.00 34.95 33.36 3e90 s ARG 78 CO 0.10 0.04 0.32 -1.17 -0.81 0.00 0.00 175.30 173.79 3e90 s LEU 79 N 0.00 5.40 1.07 -0.88 2.96 -1.26 0.54 118.68 126.52 3e90 s LEU 79 Ca 0.00 -1.49 -0.17 0.00 -0.22 0.00 0.00 54.13 52.26 3e90 s LEU 79 Cb -0.01 -2.07 0.23 0.00 0.50 0.00 0.00 46.19 44.84 3e90 s LEU 79 CO -0.00 -0.60 1.18 1.51 -1.32 0.00 0.00 176.35 177.11 3e90 s ASP 80 N 2.40 2.08 0.09 3.68 1.47 0.46 -4.89 116.67 121.95 3e90 s ASP 80 Ca 0.04 0.60 0.13 0.00 1.18 0.00 0.00 52.55 54.50 3e90 s ASP 80 Cb -0.24 -0.86 0.58 0.00 -0.34 0.00 0.00 42.92 42.07 3e90 s ASP 80 CO 0.03 -3.41 1.41 0.47 0.68 0.00 0.00 175.17 174.36 3e90 n ASP 81 N -4.27 0.19 -1.35 2.11 8.00 -1.26 -1.98 116.55 117.99 3e90 n ASP 81 Ca 0.12 0.56 0.10 0.00 0.71 0.00 0.00 54.79 56.28 3e90 n ASP 81 Cb 0.59 -0.60 0.31 0.00 -0.02 0.00 0.00 41.12 41.41 3e90 n ASP 81 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3e90 n ASP 82 N -1.73 3.95 -0.47 -2.24 8.00 -1.26 -4.91 116.55 117.90 3e90 n ASP 82 Ca 0.02 -2.19 -0.06 0.00 0.71 0.00 0.00 54.79 53.27 3e90 n ASP 82 Cb 0.12 -0.50 -0.02 0.00 -0.02 0.00 0.00 41.12 40.70 3e90 n ASP 82 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3e90 n GLY 83 N 1.33 0.64 3.53 0.44 0.00 -0.83 -5.02 105.19 105.27 3e90 n GLY 83 Ca 0.23 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 3e90 n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3e90 s ASN 84 N -2.89 4.86 0.37 1.61 0.01 -1.25 -4.91 114.94 112.73 3e90 s ASN 84 Ca 0.00 -0.08 -0.21 0.00 -0.71 0.00 0.00 52.86 51.86 3e90 s ASN 84 Cb 0.00 -1.69 -0.10 0.00 0.41 0.00 0.00 41.25 39.87 3e90 s ASN 84 CO 0.00 0.21 0.88 -0.36 -1.51 0.00 0.00 177.10 176.33 3e90 s PHE 85 N 0.09 3.44 -0.04 2.20 0.40 -1.26 -0.40 117.98 122.40 3e90 s PHE 85 Ca -0.00 1.55 0.00 0.00 -0.60 0.00 0.00 56.93 57.88 3e90 s PHE 85 Cb -0.13 -2.78 0.02 0.00 0.51 0.00 0.00 43.02 40.64 3e90 s PHE 85 CO 0.03 0.04 -0.02 -0.65 0.70 0.00 0.00 175.22 175.32 3e90 s GLN 86 N -2.79 0.58 0.11 0.44 -1.52 0.19 -4.92 119.66 111.75 3e90 s GLN 86 Ca 0.56 0.00 -0.33 0.00 -1.95 0.00 0.00 55.36 53.65 3e90 s GLN 86 Cb -0.12 -0.72 -0.12 0.00 -0.22 0.00 0.00 33.01 31.83 3e90 s GLN 86 CO 0.17 -0.14 1.76 1.28 -0.25 0.00 0.00 175.29 178.11 3e90 n LEU 87 N 4.28 3.68 -4.55 2.90 4.77 -1.26 -1.22 117.00 125.60 3e90 n LEU 87 Ca -0.22 1.02 -0.43 0.00 -0.03 0.00 0.00 56.01 56.35 3e90 n LEU 87 Cb 0.50 -1.49 -0.05 0.00 -2.33 0.00 0.00 43.42 40.06 3e90 n LEU 87 CO 0.21 0.01 0.60 -0.32 -1.33 0.00 0.00 177.39 176.56 3e90 s MET 88 N 2.29 3.43 0.00 3.23 1.75 -0.43 -4.89 119.30 124.68 3e90 s MET 88 Ca 0.82 -0.05 0.00 0.00 -1.25 0.00 0.00 55.69 55.21 3e90 s MET 88 Cb -0.57 -3.94 0.00 0.00 2.84 0.00 0.00 34.83 33.16 3e90 s MET 88 CO 0.39 -1.14 0.00 0.09 -0.65 0.00 0.00 175.02 173.71