#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e90 s MET 52 N 0.00 1.62 0.33 0.11 -1.94 -1.26 -5.15 119.30 113.01 3e90 s MET 52 Ca 0.00 -0.57 0.03 0.00 -1.71 0.00 0.00 55.69 53.44 3e90 s MET 52 Cb 0.00 -1.44 -0.04 0.00 2.01 0.00 0.00 34.83 35.36 3e90 s MET 52 CO 0.00 0.25 0.12 1.67 -0.01 0.00 0.00 175.02 177.05 3e90 s TRP 53 N -0.02 1.71 0.03 -0.03 -2.14 -1.26 -5.17 118.94 112.06 3e90 s TRP 53 Ca -0.02 -1.24 0.04 0.00 2.66 0.00 0.00 56.10 57.54 3e90 s TRP 53 Cb -0.10 -1.02 -0.02 0.00 -3.10 0.00 0.00 33.47 29.22 3e90 s TRP 53 CO 0.01 -0.34 -0.11 0.96 -2.66 0.00 0.00 176.95 174.82 3e90 s ILE 54 N -3.46 0.87 -0.08 0.66 -4.36 -1.26 -5.14 121.20 108.43 3e90 s ILE 54 Ca 0.33 -0.85 0.01 0.00 -0.26 0.00 0.00 60.65 59.88 3e90 s ILE 54 Cb 0.05 -0.80 0.02 0.00 1.25 0.00 0.00 42.46 42.98 3e90 s ILE 54 CO 0.16 -0.04 -0.11 -1.61 0.24 0.00 0.00 174.94 173.58 3e90 s GLU 55 N -1.00 1.67 0.43 0.37 2.02 -1.26 -5.12 118.70 115.81 3e90 s GLU 55 Ca -0.00 -0.37 -0.25 0.00 0.02 0.00 0.00 54.97 54.36 3e90 s GLU 55 Cb -0.07 -1.48 -0.08 0.00 0.10 0.00 0.00 34.13 32.60 3e90 s GLU 55 CO 0.01 -0.07 1.30 0.50 0.02 0.00 0.00 175.26 177.02 3e90 s ARG 56 N 0.99 3.83 0.00 1.61 3.52 -1.26 -4.91 118.95 122.73 3e90 s ARG 56 Ca -0.08 2.13 0.00 0.00 -0.13 0.00 0.00 55.73 57.64 3e90 s ARG 56 Cb -0.15 -2.65 0.00 0.00 -1.56 0.00 0.00 34.95 30.60 3e90 s ARG 56 CO -0.00 -0.60 0.00 -2.37 -0.81 0.00 0.00 175.30 171.52 3e90 n THR 57 N -0.11 0.00 -3.59 4.11 5.66 -1.26 -5.13 114.28 113.96 3e90 n THR 57 Ca 0.05 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 61.00 3e90 n THR 57 Cb 0.44 1.57 -0.02 0.00 -1.55 0.00 0.00 70.33 70.77 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 0.00 -2.06 0.66 1.79 0.00 -1.26 -5.16 121.76 115.73 3e90 s ALA 58 Ca 0.00 1.60 -0.09 0.00 0.00 0.00 0.00 51.96 53.48 3e90 s ALA 58 Cb 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.87 3e90 s ALA 58 CO 0.00 -0.55 1.01 -0.51 0.00 0.00 0.00 175.76 175.71 3e90 s ASP 59 N -2.01 5.46 -0.42 0.00 1.01 -1.26 -5.03 116.67 114.42 3e90 s ASP 59 Ca 0.08 0.91 -0.16 0.00 0.71 0.00 0.00 52.55 54.09 3e90 s ASP 59 Cb -0.01 -1.78 0.02 0.00 1.01 0.00 0.00 42.92 42.17 3e90 s ASP 59 CO -0.05 -1.25 0.39 -0.63 0.21 0.00 0.00 175.17 173.85 3e90 s ILE 60 N -3.20 5.15 -0.03 0.77 1.01 -1.26 -5.03 121.20 118.61 3e90 s ILE 60 Ca 0.56 -0.48 -0.30 0.00 0.00 0.00 0.00 60.65 60.43 3e90 s ILE 60 Cb -0.11 -4.01 0.11 0.00 0.01 0.00 0.00 42.46 38.46 3e90 s ILE 60 CO 0.48 -0.40 1.03 -0.94 0.00 0.00 0.00 174.94 175.11 3e90 s SER 61 N 1.81 -0.24 -0.06 3.58 1.04 -1.26 -5.14 113.70 113.43 3e90 s SER 61 Ca 0.09 -0.08 -0.23 0.00 0.48 0.00 0.00 55.95 56.22 3e90 s SER 61 Cb -0.18 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 3e90 s SER 61 CO 0.12 -0.52 0.67 0.86 0.98 0.00 0.00 173.24 175.35 3e90 s TRP 62 N -2.88 3.58 -0.29 5.02 -0.11 -1.26 -5.05 118.94 117.96 3e90 s TRP 62 Ca 0.08 1.22 -0.09 0.00 1.22 0.00 0.00 56.10 58.53 3e90 s TRP 62 Cb -0.00 -2.77 -0.02 0.00 -1.50 0.00 0.00 33.47 29.18 3e90 s TRP 62 CO -0.05 0.12 0.13 -1.21 -4.62 0.00 0.00 176.95 171.31 3e90 s GLU 63 N 0.68 3.50 0.35 5.86 0.41 -1.26 -4.98 118.70 123.25 3e90 s GLU 63 Ca 0.36 -0.60 0.05 0.00 -0.41 0.00 0.00 54.97 54.37 3e90 s GLU 63 Cb -0.18 -3.49 0.71 0.00 -1.78 0.00 0.00 34.13 29.40 3e90 s GLU 63 CO 0.17 -0.32 1.92 0.66 -0.49 0.00 0.00 175.26 177.21 3e90 h SER 64 N 8.31 0.72 -0.99 -0.19 4.64 -2.05 -2.42 113.55 121.57 3e90 h SER 64 Ca -0.34 0.01 -0.62 0.00 -0.47 0.00 0.00 61.79 60.37 3e90 h SER 64 Cb 1.16 -0.14 -0.30 0.00 -0.31 0.00 0.00 62.40 62.82 3e90 h SER 64 CO 0.59 0.44 0.77 0.47 -0.87 0.00 0.00 176.83 178.23 3e90 n ASP 65 N -4.50 6.40 -4.76 4.97 8.00 -1.26 -4.99 116.55 120.39 3e90 n ASP 65 Ca 0.13 -3.74 -0.39 0.00 0.71 0.00 0.00 54.79 51.51 3e90 n ASP 65 Cb 0.29 -0.92 -0.05 0.00 -0.02 0.00 0.00 41.12 40.42 3e90 n ASP 65 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3e90 s ALA 66 N -3.66 3.29 0.51 2.24 0.00 -0.91 -5.01 121.76 118.23 3e90 s ALA 66 Ca 0.62 0.76 -0.23 0.00 0.00 0.00 0.00 51.96 53.11 3e90 s ALA 66 Cb 0.50 -3.28 -0.06 0.00 0.00 0.00 0.00 23.12 20.28 3e90 s ALA 66 CO 0.03 -0.06 1.36 -2.00 0.00 0.00 0.00 175.76 175.08 3e90 s GLU 67 N -1.71 3.33 -0.14 0.00 2.12 -1.26 -5.02 118.70 116.01 3e90 s GLU 67 Ca 0.48 2.25 -0.07 0.00 0.36 0.00 0.00 54.97 57.99 3e90 s GLU 67 Cb -0.27 -2.37 -0.04 0.00 0.26 0.00 0.00 34.13 31.71 3e90 s GLU 67 CO 0.34 -1.05 0.09 0.42 -0.54 0.00 0.00 175.26 174.52 3e90 s ILE 68 N -1.29 5.02 -0.08 -3.70 1.01 -1.26 -5.09 121.20 115.80 3e90 s ILE 68 Ca 0.68 0.04 -0.30 0.00 0.00 0.00 0.00 60.65 61.06 3e90 s ILE 68 Cb -0.40 -3.21 0.09 0.00 0.01 0.00 0.00 42.46 38.94 3e90 s ILE 68 CO 0.49 0.54 0.80 0.28 0.00 0.00 0.00 174.94 177.05 3e90 s THR 69 N -0.36 0.00 0.00 2.92 -1.32 -1.26 -5.16 115.64 110.46 3e90 s THR 69 Ca 0.10 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.58 3e90 s THR 69 Cb -0.12 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 3e90 s THR 69 CO 0.02 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 3e90 n GLY 70 N 0.79 0.02 3.84 6.08 0.00 -1.26 -5.06 105.19 109.61 3e90 n GLY 70 Ca -0.16 -1.52 -0.27 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.20 5.79 -0.35 1.61 1.04 -1.26 -5.08 113.70 114.25 3e90 s SER 71 Ca 0.00 -0.01 -0.21 0.00 0.48 0.00 0.00 55.95 56.21 3e90 s SER 71 Cb 0.00 -1.60 0.00 0.00 0.10 0.00 0.00 66.02 64.52 3e90 s SER 71 CO 0.00 0.08 0.68 -0.44 0.98 0.00 0.00 173.24 174.54 3e90 s SER 72 N -3.03 6.47 0.25 7.02 0.01 -1.26 -5.05 113.70 118.12 3e90 s SER 72 Ca 0.32 0.24 0.08 0.00 1.31 0.00 0.00 55.95 57.91 3e90 s SER 72 Cb -0.11 -2.35 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 3e90 s SER 72 CO 0.25 -0.62 0.10 -1.61 0.41 0.00 0.00 173.24 171.77 3e90 s GLU 73 N 2.81 2.64 -0.29 12.44 0.41 -1.26 -5.10 118.70 130.35 3e90 s GLU 73 Ca 0.26 -1.21 0.02 0.00 -0.41 0.00 0.00 54.97 53.64 3e90 s GLU 73 Cb -0.14 -2.38 0.08 0.00 -1.78 0.00 0.00 34.13 29.90 3e90 s GLU 73 CO 0.15 0.39 -0.02 1.03 -0.49 0.00 0.00 175.26 176.31 3e90 s ARG 74 N -3.74 1.69 -0.05 1.61 0.52 -1.26 -5.11 118.95 112.62 3e90 s ARG 74 Ca 0.32 -1.42 0.06 0.00 -0.52 0.00 0.00 55.73 54.18 3e90 s ARG 74 Cb -0.07 -2.84 -0.01 0.00 0.52 0.00 0.00 34.95 32.54 3e90 s ARG 74 CO 0.23 -0.74 -0.24 0.08 0.02 0.00 0.00 175.30 174.65 3e90 s VAL 75 N 1.15 1.93 -0.06 3.52 1.01 -1.26 -5.11 120.40 121.58 3e90 s VAL 75 Ca 0.00 -1.01 -0.24 0.00 0.00 0.00 0.00 61.98 60.74 3e90 s VAL 75 Cb -0.19 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 3e90 s VAL 75 CO -0.08 0.54 0.71 -1.81 0.00 0.00 0.00 175.10 174.46 3e90 s ASP 76 N -0.23 7.01 0.33 3.32 1.01 -1.26 -5.04 116.67 121.81 3e90 s ASP 76 Ca -0.01 1.22 0.02 0.00 0.71 0.00 0.00 52.55 54.50 3e90 s ASP 76 Cb -0.12 -2.42 -0.01 0.00 1.01 0.00 0.00 42.92 41.37 3e90 s ASP 76 CO 0.02 -0.11 0.37 0.68 0.21 0.00 0.00 175.17 176.34 3e90 s VAL 77 N 0.74 0.00 0.03 -1.27 -7.23 -1.26 -4.54 120.40 106.86 3e90 s VAL 77 Ca 0.38 -1.80 -0.00 0.00 -1.81 0.00 0.00 61.98 58.75 3e90 s VAL 77 Cb -0.18 -2.57 -0.02 0.00 0.56 0.00 0.00 36.38 34.17 3e90 s VAL 77 CO 0.19 0.00 -0.03 -0.13 -0.31 0.00 0.00 175.10 174.81 3e90 s ARG 78 N -3.28 0.38 -0.20 4.82 1.81 -0.97 -4.92 118.95 116.59 3e90 s ARG 78 Ca 0.36 -0.73 0.01 0.00 -1.72 0.00 0.00 55.73 53.65 3e90 s ARG 78 Cb 0.01 0.10 0.03 0.00 -0.45 0.00 0.00 34.95 34.64 3e90 s ARG 78 CO 0.23 -0.05 -0.18 -1.17 -0.68 0.00 0.00 175.30 173.45 3e90 s LEU 79 N -1.73 2.42 0.82 2.53 2.96 -1.26 -0.24 118.68 124.17 3e90 s LEU 79 Ca -0.11 -0.80 -0.09 0.00 -0.22 0.00 0.00 54.13 52.91 3e90 s LEU 79 Cb -0.07 -1.50 0.14 0.00 0.50 0.00 0.00 46.19 45.26 3e90 s LEU 79 CO -0.02 -0.04 1.14 1.51 -1.32 0.00 0.00 176.35 177.61 3e90 s ASP 80 N 1.26 3.98 0.02 3.68 1.47 -0.61 -4.92 116.67 121.55 3e90 s ASP 80 Ca 0.02 0.14 0.12 0.00 1.18 0.00 0.00 52.55 54.01 3e90 s ASP 80 Cb -0.14 -0.46 0.50 0.00 -0.34 0.00 0.00 42.92 42.47 3e90 s ASP 80 CO -0.11 -2.14 1.37 0.47 0.68 0.00 0.00 175.17 175.43 3e90 n ASP 81 N -3.25 0.04 -0.88 2.11 8.00 -1.25 -1.34 116.55 120.00 3e90 n ASP 81 Ca 0.13 0.51 0.12 0.00 0.71 0.00 0.00 54.79 56.26 3e90 n ASP 81 Cb 0.60 -0.52 0.26 0.00 -0.02 0.00 0.00 41.12 41.44 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 -1.55 2.67 0.00 -2.24 8.00 -1.26 -4.94 116.55 117.22 3e90 n ASP 82 Ca 0.02 -1.87 0.00 0.00 0.71 0.00 0.00 54.79 53.66 3e90 n ASP 82 Cb 0.13 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 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 1.34 0.40 3.64 0.44 0.00 -0.45 -5.05 105.19 105.51 3e90 n GLY 83 Ca 0.17 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.98 5.69 0.32 1.61 0.01 -1.26 -4.90 114.94 113.45 3e90 s ASN 84 Ca 0.00 0.09 -0.25 0.00 -0.71 0.00 0.00 52.86 51.99 3e90 s ASN 84 Cb 0.00 -1.98 -0.10 0.00 0.41 0.00 0.00 41.25 39.58 3e90 s ASN 84 CO 0.00 0.16 0.92 -0.36 -1.51 0.00 0.00 177.10 176.31 3e90 s PHE 85 N 0.45 3.65 -0.04 2.20 0.40 -1.26 -1.57 117.98 121.81 3e90 s PHE 85 Ca 0.04 1.72 0.02 0.00 -0.60 0.00 0.00 56.93 58.12 3e90 s PHE 85 Cb -0.12 -2.88 0.01 0.00 0.51 0.00 0.00 43.02 40.53 3e90 s PHE 85 CO 0.00 0.19 -0.11 -0.65 0.70 0.00 0.00 175.22 175.36 3e90 s GLN 86 N -2.15 1.28 0.52 0.44 -1.52 0.67 -4.93 119.66 113.97 3e90 s GLN 86 Ca 0.51 -0.35 -0.05 0.00 -1.95 0.00 0.00 55.36 53.51 3e90 s GLN 86 Cb -0.17 -1.13 -0.02 0.00 -0.22 0.00 0.00 33.01 31.47 3e90 s GLN 86 CO 0.22 0.08 0.83 -0.51 -0.25 0.00 0.00 175.29 175.66 3e90 s LEU 87 N 0.40 3.47 0.22 2.90 1.43 -1.26 -2.30 118.68 123.54 3e90 s LEU 87 Ca -0.08 0.82 -0.08 0.00 -1.03 0.00 0.00 54.13 53.76 3e90 s LEU 87 Cb -0.12 -3.73 0.26 0.00 0.03 0.00 0.00 46.19 42.63 3e90 s LEU 87 CO 0.02 -0.77 1.83 -0.03 0.23 0.00 0.00 176.35 177.62 3e90 h MET 88 N 0.07 0.79 -0.56 1.70 1.85 -1.98 -2.73 114.93 114.07 3e90 h MET 88 Ca -0.46 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 58.58 3e90 h MET 88 Cb 1.23 -0.18 0.00 0.00 0.43 0.00 0.00 31.60 33.08 3e90 h MET 88 CO 0.61 0.53 0.00 0.09 -0.40 0.00 0.00 176.91 177.74 3e90 n ASN 89 N -4.70 2.86 -4.79 1.39 3.02 -1.26 -4.74 115.26 107.04 3e90 n ASN 89 Ca 0.09 -2.22 -0.35 0.00 -0.03 0.00 0.00 54.58 52.08 3e90 n ASN 89 Cb 0.15 -0.42 -0.04 0.00 -0.61 0.00 0.00 39.78 38.87 3e90 n ASN 89 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3e90 s ASP 90 N -0.77 6.59 0.30 6.41 1.01 -1.03 -4.92 116.67 124.26 3e90 s ASP 90 Ca 0.30 1.98 0.05 0.00 0.71 0.00 0.00 52.55 55.58 3e90 s ASP 90 Cb 0.18 -2.57 0.68 0.00 1.01 0.00 0.00 42.92 42.22 3e90 s ASP 90 CO 0.15 -0.61 1.81 -0.65 0.21 0.00 0.00 175.17 176.08 3e90 h PRO 91 N 2.07 0.82 -0.01 8.23 0.11 -1.91 -0.68 132.00 140.64 3e90 h PRO 91 Ca -0.49 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3e90 h PRO 91 Cb 1.22 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3e90 h PRO 91 CO 0.61 0.54 0.00 0.41 -0.21 0.00 0.00 178.00 179.35 3e90 n GLY 92 N -1.35 -0.94 3.64 -0.55 0.00 -1.26 -4.84 105.19 99.88 3e90 n GLY 92 Ca 0.21 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 3e90 n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3e90 s ALA 93 N -1.99 3.33 0.00 4.61 0.00 -0.26 -4.31 121.76 123.14 3e90 s ALA 93 Ca 0.17 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.87 3e90 s ALA 93 Cb 0.08 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.35 3e90 s ALA 93 CO 0.13 -1.86 0.00 0.41 0.00 0.00 0.00 175.76 174.44 3e90 n GLY 94 N 4.64 0.36 1.20 0.00 0.00 -1.26 -5.00 105.19 105.13 3e90 n GLY 94 Ca 0.20 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.25 3e90 n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e90 n GLY 95 N 0.00 -2.10 0.00 -0.02 0.00 -1.26 -5.07 105.19 96.74 3e90 n GLY 95 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 3e90 n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e90 n GLY 96 N -3.80 3.29 0.00 -0.02 0.00 -1.26 -5.05 105.19 98.34 3e90 n GLY 96 Ca -0.04 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3e90 n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93