#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a20 s GLU 84 N 0.00 0.25 -0.02 3.69 1.03 -1.26 -5.17 118.70 117.22 2a20 s GLU 84 Ca 0.00 0.48 0.05 0.00 0.03 0.00 0.00 54.97 55.53 2a20 s GLU 84 Cb 0.00 0.14 -0.01 0.00 -0.80 0.00 0.00 34.13 33.46 2a20 s GLU 84 CO 0.00 -0.06 -0.18 -0.65 -1.33 0.00 0.00 175.26 173.03 2a20 s GLN 85 N 1.58 1.60 -0.86 -4.83 -0.21 -1.26 -5.06 119.66 110.62 2a20 s GLN 85 Ca -0.07 -0.66 0.01 0.00 0.02 0.00 0.00 55.36 54.66 2a20 s GLN 85 Cb -0.04 -1.50 0.33 0.00 1.00 0.00 0.00 33.01 32.81 2a20 s GLN 85 CO -0.14 0.37 1.55 0.36 -2.12 0.00 0.00 175.29 175.31 2a20 n LYS 86 N 2.74 4.54 -2.96 2.91 2.85 -1.26 -4.73 118.16 122.26 2a20 n LYS 86 Ca -0.16 -4.65 -0.14 0.00 -1.05 0.00 0.00 58.31 52.32 2a20 n LYS 86 Cb 0.53 -2.38 0.02 0.00 -0.65 0.00 0.00 35.03 32.55 2a20 n LYS 86 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2a20 n GLY 87 N -0.16 2.35 2.83 2.58 0.00 -1.26 -5.08 105.19 106.45 2a20 n GLY 87 Ca 0.42 -1.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.11 2a20 n GLY 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2a20 s ASP 88 N -2.13 2.41 0.84 1.61 1.11 -1.26 -5.14 116.67 114.11 2a20 s ASP 88 Ca 0.32 -0.48 -0.11 0.00 0.18 0.00 0.00 52.55 52.46 2a20 s ASP 88 Cb 0.35 -0.71 0.09 0.00 1.07 0.00 0.00 42.92 43.73 2a20 s ASP 88 CO -0.06 -0.20 1.09 0.00 1.18 0.00 0.00 175.17 177.18 2a20 s ALA 89 N 1.78 1.91 -0.01 5.23 0.00 -1.26 -5.01 121.76 124.41 2a20 s ALA 89 Ca 0.02 0.03 -0.25 0.00 0.00 0.00 0.00 51.96 51.77 2a20 s ALA 89 Cb -0.14 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 2a20 s ALA 89 CO -0.07 -2.04 0.76 -1.25 0.00 0.00 0.00 175.76 173.15 2a20 s PRO 90 N -4.95 4.47 0.03 0.00 0.05 -1.26 -5.03 135.00 128.30 2a20 s PRO 90 Ca 0.62 1.02 0.02 0.00 0.05 0.00 0.00 61.00 62.70 2a20 s PRO 90 Cb -0.17 -3.41 -0.02 0.00 0.05 0.00 0.00 34.50 30.95 2a20 s PRO 90 CO 0.56 0.17 -0.06 0.95 0.05 0.00 0.00 177.00 178.67 2a20 s THR 91 N 0.39 0.40 0.28 1.26 -4.23 -1.26 -2.56 115.64 109.91 2a20 s THR 91 Ca 0.39 -0.87 -0.29 0.00 -1.18 0.00 0.00 61.69 59.74 2a20 s THR 91 Cb -0.19 -0.47 -0.10 0.00 1.34 0.00 0.00 72.50 73.08 2a20 s THR 91 CO 0.21 -0.32 1.26 0.00 -0.54 0.00 0.00 174.62 175.23 2a20 n GLY 93 N 1.41 1.12 1.24 0.00 0.00 0.45 -1.92 105.19 107.49 2a20 n GLY 93 Ca 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2a20 n GLY 93 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2a20 n ILE 94 N 0.21 0.66 0.06 -0.61 -0.00 -1.26 -4.83 119.36 113.59 2a20 n ILE 94 Ca 0.09 0.22 -0.01 0.00 -0.00 0.00 0.00 62.75 63.05 2a20 n ILE 94 Cb 0.39 -1.33 -0.06 0.00 -0.00 0.00 0.00 39.64 38.64 2a20 n ILE 94 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2a20 n HIS 96 N -3.03 -0.28 0.00 0.00 8.25 -0.81 -4.73 115.22 114.62 2a20 n HIS 96 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 2a20 n HIS 96 Cb 0.84 -3.55 0.00 0.00 1.12 0.00 0.00 29.99 28.40 2a20 n HIS 96 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2a20 n LYS 97 N -2.57 0.00 -1.77 -0.41 4.81 -1.26 -4.84 118.16 112.12 2a20 n LYS 97 Ca -0.21 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.80 2a20 n LYS 97 Cb 0.67 -0.42 -0.03 0.00 0.02 0.00 0.00 35.03 35.28 2a20 n LYS 97 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2a20 s THR 98 N -1.81 3.20 -0.16 3.15 2.01 -1.26 -4.82 115.64 115.96 2a20 s THR 98 Ca 0.00 0.21 -0.16 0.00 0.31 0.00 0.00 61.69 62.05 2a20 s THR 98 Cb 0.00 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 2a20 s THR 98 CO 0.00 -0.14 0.40 -0.54 -0.69 0.00 0.00 174.62 173.65 2a20 s LYS 99 N 5.81 4.26 -1.08 4.92 1.02 -1.26 -0.95 119.74 132.45 2a20 s LYS 99 Ca 0.91 0.26 -0.26 0.00 0.02 0.00 0.00 55.97 56.90 2a20 s LYS 99 Cb -0.30 -3.47 -0.21 0.00 -0.52 0.00 0.00 37.83 33.32 2a20 s LYS 99 CO 0.35 0.11 2.07 1.19 -0.92 0.00 0.00 175.35 178.15 2a20 n PHE 100 N 3.94 1.26 0.00 3.18 3.72 -1.06 -4.70 117.46 123.79 2a20 n PHE 100 Ca -0.09 -0.44 0.00 0.00 -0.05 0.00 0.00 57.45 56.87 2a20 n PHE 100 Cb 0.51 -2.57 0.00 0.00 -0.94 0.00 0.00 39.48 36.48 2a20 n PHE 100 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2a20 n ALA 101 N 18.64 0.00 -2.17 4.37 0.00 -1.26 -1.41 120.51 138.67 2a20 n ALA 101 Ca 0.42 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.81 2a20 n ALA 101 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.90 2a20 n ALA 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2a20 n ASP 102 N 1.84 -1.02 0.00 0.00 9.92 -1.26 -4.98 116.55 121.05 2a20 n ASP 102 Ca 0.00 -2.05 0.00 0.00 -0.53 0.00 0.00 54.79 52.21 2a20 n ASP 102 Cb 0.00 0.36 0.00 0.00 -0.64 0.00 0.00 41.12 40.84 2a20 n ASP 102 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2a20 n GLY 103 N -0.34 -1.53 2.95 0.44 0.00 -0.50 -4.94 105.19 101.26 2a20 n GLY 103 Ca -0.24 0.57 -0.12 0.00 0.00 0.00 0.00 46.02 46.23 2a20 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a20 n GLY 105 N 2.77 1.27 3.69 0.00 0.00 -1.26 -4.86 105.19 106.81 2a20 n GLY 105 Ca -0.14 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 2a20 n GLY 105 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2a20 s HIS 106 N 4.18 3.39 -0.16 1.61 3.76 -0.88 -4.99 115.29 122.21 2a20 s HIS 106 Ca 0.00 0.49 -0.02 0.00 -0.15 0.00 0.00 55.06 55.38 2a20 s HIS 106 Cb 0.00 -2.37 -0.02 0.00 1.11 0.00 0.00 32.58 31.30 2a20 s HIS 106 CO 0.00 0.11 -0.08 -0.80 -0.85 0.00 0.00 174.74 173.12 2a20 s ASN 107 N 0.81 4.30 0.01 1.40 0.02 -1.26 0.19 114.94 120.41 2a20 s ASN 107 Ca 0.14 -0.28 -0.34 0.00 -1.02 0.00 0.00 52.86 51.36 2a20 s ASN 107 Cb -0.14 -1.69 -0.13 0.00 0.02 0.00 0.00 41.25 39.32 2a20 s ASN 107 CO 0.05 0.13 1.74 0.00 0.02 0.00 0.00 177.10 179.04 2a20 n SER 109 N 5.24 0.28 0.00 0.00 2.88 0.43 -0.99 113.62 121.47 2a20 n SER 109 Ca 0.20 0.61 0.00 0.00 -1.33 0.00 0.00 58.87 58.35 2a20 n SER 109 Cb 0.28 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 2a20 n SER 109 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2a20 n TYR 110 N -1.85 0.00 2.00 0.66 4.01 -1.26 -4.71 117.16 116.01 2a20 n TYR 110 Ca 0.01 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.83 2a20 n TYR 110 Cb 0.08 0.00 0.47 0.00 -0.31 0.00 0.00 39.34 39.59 2a20 n TYR 110 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2a20 n GLN 112 N -0.75 -1.74 -2.02 0.00 3.00 -0.16 -4.91 117.38 110.79 2a20 n GLN 112 Ca 0.12 0.84 -0.42 0.00 -0.01 0.00 0.00 57.00 57.54 2a20 n GLN 112 Cb 0.05 -5.28 -0.03 0.00 0.00 0.00 0.00 30.24 24.98 2a20 n GLN 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2a20 s THR 113 N -1.83 2.74 -0.37 5.09 2.01 -1.26 -4.41 115.64 117.62 2a20 s THR 113 Ca 0.00 0.59 -0.26 0.00 0.31 0.00 0.00 61.69 62.34 2a20 s THR 113 Cb 0.00 -3.38 0.02 0.00 0.01 0.00 0.00 72.50 69.15 2a20 s THR 113 CO 0.00 0.08 0.92 -0.54 -0.69 0.00 0.00 174.62 174.39 2a20 s LYS 114 N 0.12 3.82 0.20 4.92 1.02 -1.26 0.04 119.74 128.60 2a20 s LYS 114 Ca 0.62 0.55 0.04 0.00 0.02 0.00 0.00 55.97 57.20 2a20 s LYS 114 Cb -0.41 -3.81 -0.05 0.00 -0.52 0.00 0.00 37.83 33.04 2a20 s LYS 114 CO 0.39 -0.96 -0.04 -0.59 -0.92 0.00 0.00 175.35 173.22 2a20 s PHE 115 N 3.49 1.46 0.64 3.18 -0.12 0.13 0.17 117.98 126.94 2a20 s PHE 115 Ca 0.38 -0.86 -0.06 0.00 -0.05 0.00 0.00 56.93 56.35 2a20 s PHE 115 Cb -0.12 -0.81 0.04 0.00 -0.63 0.00 0.00 43.02 41.50 2a20 s PHE 115 CO 0.19 0.01 0.95 0.00 -0.05 0.00 0.00 175.22 176.32 2a20 h ALA 117 N -0.37 1.13 0.00 0.00 0.00 -1.94 0.15 119.26 118.23 2a20 h ALA 117 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2a20 h ALA 117 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2a20 h ALA 117 CO 0.60 -0.13 -1.00 0.54 0.00 0.00 0.00 179.25 179.25 2a20 n ARG 118 N -2.58 0.29 -1.57 0.00 5.12 -1.26 -4.18 116.66 112.48 2a20 n ARG 118 Ca -0.02 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.64 2a20 n ARG 118 Cb 0.20 -1.60 0.07 0.00 -1.16 0.00 0.00 32.46 29.97 2a20 n ARG 118 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2a20 n GLY 120 N -0.86 0.62 3.48 0.00 0.00 -1.22 -2.95 105.19 104.25 2a20 n GLY 120 Ca 0.51 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 2a20 n GLY 120 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a20 s GLY 121 N 0.00 1.84 0.10 -0.02 0.00 -0.28 -4.86 107.32 104.10 2a20 s GLY 121 Ca 0.00 -1.82 -0.20 0.00 0.00 0.00 0.00 44.72 42.71 2a20 s GLY 121 CO 0.00 -1.89 0.61 1.09 0.00 0.00 0.00 173.10 172.90 2a20 s ARG 122 N -3.38 4.24 -0.49 2.90 1.70 -1.26 -2.37 118.95 120.29 2a20 s ARG 122 Ca 0.29 0.79 0.03 0.00 -0.47 0.00 0.00 55.73 56.37 2a20 s ARG 122 Cb -0.06 -3.20 0.15 0.00 -0.57 0.00 0.00 34.95 31.27 2a20 s ARG 122 CO 0.15 0.61 0.32 0.08 -1.08 0.00 0.00 175.30 175.37 2a20 s VAL 123 N -1.16 1.51 -0.41 4.99 1.01 -0.65 -4.97 120.40 120.72 2a20 s VAL 123 Ca 0.31 -2.96 -0.20 0.00 0.00 0.00 0.00 61.98 59.13 2a20 s VAL 123 Cb -0.20 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.16 2a20 s VAL 123 CO 0.20 -0.99 0.61 -0.94 0.00 0.00 0.00 175.10 173.98 2a20 s SER 124 N -0.11 6.33 -0.41 3.32 1.04 -1.26 -3.01 113.70 119.59 2a20 s SER 124 Ca 0.22 -0.25 0.01 0.00 0.48 0.00 0.00 55.95 56.42 2a20 s SER 124 Cb -0.14 -2.31 0.44 0.00 0.10 0.00 0.00 66.02 64.11 2a20 s SER 124 CO -0.08 -0.70 1.83 0.18 0.98 0.00 0.00 173.24 175.46 2a20 n LEU 125 N 6.11 6.37 -1.54 2.42 4.77 -1.12 -5.02 117.00 129.00 2a20 n LEU 125 Ca -0.02 -3.40 0.09 0.00 -0.03 0.00 0.00 56.01 52.65 2a20 n LEU 125 Cb 0.48 -0.86 -0.05 0.00 -2.33 0.00 0.00 43.42 40.66 2a20 n LEU 125 CO 0.51 1.10 -0.58 0.54 -1.33 0.00 0.00 177.39 177.63 2a20 n ARG 126 N -0.57 -3.82 -0.42 3.23 1.74 -1.26 -4.87 116.66 110.70 2a20 n ARG 126 Ca 0.46 3.04 0.06 0.00 -0.77 0.00 0.00 57.85 60.64 2a20 n ARG 126 Cb 1.07 -4.05 -0.01 0.00 -1.02 0.00 0.00 32.46 28.44 2a20 n ARG 126 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2a20 n SER 127 N -3.55 -5.58 -3.55 0.55 7.64 -1.26 -3.91 113.62 103.96 2a20 n SER 127 Ca -0.05 0.45 -0.42 0.00 1.01 0.00 0.00 58.87 59.86 2a20 n SER 127 Cb 0.60 -1.26 -0.07 0.00 -1.01 0.00 0.00 64.21 62.47 2a20 n SER 127 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2a20 n ASN 128 N -2.71 2.11 -3.33 6.43 3.02 -1.26 -4.64 115.26 114.87 2a20 n ASN 128 Ca 0.00 -2.60 -0.12 0.00 -0.03 0.00 0.00 54.58 51.83 2a20 n ASN 128 Cb 0.19 -0.92 -0.07 0.00 -0.61 0.00 0.00 39.78 38.37 2a20 n ASN 128 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2a20 s LYS 129 N 5.52 0.52 -0.14 3.52 1.02 -1.25 -5.12 119.74 123.81 2a20 s LYS 129 Ca 0.59 -0.33 0.01 0.00 0.02 0.00 0.00 55.97 56.25 2a20 s LYS 129 Cb 0.14 -0.49 0.02 0.00 -0.52 0.00 0.00 37.83 36.98 2a20 s LYS 129 CO 0.18 -1.11 -0.14 0.08 -0.92 0.00 0.00 175.35 173.44 2a20 s VAL 130 N 2.02 1.52 -0.01 3.17 1.01 -1.26 -2.80 120.40 124.05 2a20 s VAL 130 Ca 0.13 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 2a20 s VAL 130 Cb -0.13 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.83 2a20 s VAL 130 CO -0.18 0.45 0.04 0.00 0.00 0.00 0.00 175.10 175.41 2a20 s MET 131 N 1.37 0.12 0.09 2.72 0.23 -1.17 -5.05 119.30 117.61 2a20 s MET 131 Ca 0.02 -0.06 0.05 0.00 -1.03 0.00 0.00 55.69 54.66 2a20 s MET 131 Cb -0.13 0.05 -0.04 0.00 -1.53 0.00 0.00 34.83 33.18 2a20 s MET 131 CO -0.08 -0.02 -0.01 -1.58 -2.03 0.00 0.00 175.02 171.30 2a20 s TRP 132 N -0.28 2.98 -0.07 3.16 0.52 -1.26 -1.64 118.94 122.35 2a20 s TRP 132 Ca -0.03 -0.03 0.00 0.00 0.02 0.00 0.00 56.10 56.06 2a20 s TRP 132 Cb -0.02 -1.54 0.02 0.00 -1.15 0.00 0.00 33.47 30.78 2a20 s TRP 132 CO -0.00 0.48 -0.05 0.08 0.02 0.00 0.00 176.95 177.48 2a20 s VAL 133 N -1.30 0.64 0.79 4.03 1.01 -1.00 0.16 120.40 124.74 2a20 s VAL 133 Ca 0.25 -0.12 -0.14 0.00 0.00 0.00 0.00 61.98 61.97 2a20 s VAL 133 Cb -0.12 -0.69 0.07 0.00 0.00 0.00 0.00 36.38 35.64 2a20 s VAL 133 CO 0.18 0.27 1.21 0.00 0.00 0.00 0.00 175.10 176.76 2a20 h ASN 135 N -0.76 0.00 0.52 0.00 2.35 -1.87 0.30 115.58 116.13 2a20 h ASN 135 Ca -0.47 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 54.99 2a20 h ASN 135 Cb 1.30 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.67 2a20 h ASN 135 CO 0.47 0.00 -1.40 -0.07 -1.65 0.00 0.00 177.43 174.78 2a20 h LEU 136 N 0.00 0.42 0.06 1.61 3.38 -1.89 -2.95 115.31 115.94 2a20 h LEU 136 Ca 0.00 -0.51 -0.32 0.00 0.09 0.00 0.00 57.88 57.14 2a20 h LEU 136 Cb 0.17 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2a20 h LEU 136 CO 0.00 1.41 -1.77 0.00 0.09 0.00 0.00 178.44 178.17 2a20 h ARG 138 N 0.03 1.01 0.03 0.00 2.43 -0.61 -1.44 114.38 115.83 2a20 h ARG 138 Ca -0.32 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 58.64 2a20 h ARG 138 Cb 2.02 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 31.41 2a20 h ARG 138 CO 0.09 0.87 -0.01 -0.22 -1.51 0.00 0.00 179.97 179.19 2a20 h LYS 139 N 0.97 -0.03 -0.13 0.20 1.63 -1.66 -2.09 116.57 115.45 2a20 h LYS 139 Ca 0.21 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 60.06 2a20 h LYS 139 Cb 0.28 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 2a20 h LYS 139 CO -0.01 0.45 0.28 1.96 -3.45 0.00 0.00 179.45 178.68 2a20 h GLN 140 N -0.98 0.00 -0.02 1.90 4.20 -1.57 0.31 115.11 118.94 2a20 h GLN 140 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2a20 h GLN 140 Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2a20 h GLN 140 CO 0.01 0.00 -0.02 0.94 -0.67 0.00 0.00 178.83 179.09 2a20 n GLN 141 N -3.32 1.51 0.00 1.46 7.27 -0.54 -5.07 117.38 118.69 2a20 n GLN 141 Ca 0.01 -1.54 0.00 0.00 0.07 0.00 0.00 57.00 55.54 2a20 n GLN 141 Cb 0.37 -1.34 0.00 0.00 2.41 0.00 0.00 30.24 31.68 2a20 n GLN 141 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22