#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a20 h GLU 84 N 0.00 -0.08 -4.11 -1.09 4.39 -2.10 -3.51 114.58 108.10 2a20 h GLU 84 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2a20 h GLU 84 Cb 0.00 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2a20 h GLU 84 CO 0.00 -0.05 -0.91 1.04 -1.16 0.00 0.00 179.01 177.93 2a20 n GLN 85 N -4.61 -5.25 -3.22 2.33 1.13 -1.26 -4.79 117.38 101.71 2a20 n GLN 85 Ca -0.01 3.75 -0.05 0.00 -1.94 0.00 0.00 57.00 58.75 2a20 n GLN 85 Cb 0.03 -4.04 0.00 0.00 0.11 0.00 0.00 30.24 26.34 2a20 n GLN 85 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2a20 n LYS 86 N 1.39 -1.37 -3.13 -1.09 4.76 -1.26 -5.01 118.16 112.45 2a20 n LYS 86 Ca 0.00 1.34 -0.17 0.00 -2.87 0.00 0.00 58.31 56.61 2a20 n LYS 86 Cb 0.00 -5.01 -0.05 0.00 -1.84 0.00 0.00 35.03 28.12 2a20 n LYS 86 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2a20 s GLY 87 N -3.00 0.08 0.11 0.72 0.00 -1.26 -5.12 107.32 98.85 2a20 s GLY 87 Ca 0.00 -1.49 -0.32 0.00 0.00 0.00 0.00 44.72 42.91 2a20 s GLY 87 CO 0.78 2.81 1.79 1.22 0.00 0.00 0.00 173.10 179.70 2a20 n ASP 88 N 3.01 3.78 -4.32 1.64 8.00 -1.26 -4.97 116.55 122.42 2a20 n ASP 88 Ca 0.23 1.01 -0.29 0.00 0.71 0.00 0.00 54.79 56.45 2a20 n ASP 88 Cb 0.51 -1.50 0.20 0.00 -0.02 0.00 0.00 41.12 40.31 2a20 n ASP 88 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2a20 s ALA 89 N 2.46 0.88 -0.06 2.24 0.00 -1.26 -5.00 121.76 121.02 2a20 s ALA 89 Ca 0.82 -0.65 -0.27 0.00 0.00 0.00 0.00 51.96 51.87 2a20 s ALA 89 Cb -0.55 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 2a20 s ALA 89 CO 0.39 -3.12 0.85 -1.25 0.00 0.00 0.00 175.76 172.63 2a20 s PRO 90 N -5.20 4.46 0.02 0.00 0.05 -1.26 -5.03 135.00 128.05 2a20 s PRO 90 Ca 0.68 1.14 0.01 0.00 0.05 0.00 0.00 61.00 62.88 2a20 s PRO 90 Cb -0.14 -3.48 -0.02 0.00 0.05 0.00 0.00 34.50 30.91 2a20 s PRO 90 CO 0.57 -0.06 -0.04 0.95 0.05 0.00 0.00 177.00 178.46 2a20 s THR 91 N 1.15 0.26 0.23 1.26 -4.23 -1.26 -2.52 115.64 110.52 2a20 s THR 91 Ca 0.44 -0.77 -0.30 0.00 -1.18 0.00 0.00 61.69 59.88 2a20 s THR 91 Cb -0.19 -0.34 -0.09 0.00 1.34 0.00 0.00 72.50 73.22 2a20 s THR 91 CO 0.21 -0.33 1.32 0.00 -0.54 0.00 0.00 174.62 175.28 2a20 n GLY 93 N 2.07 1.87 1.19 0.00 0.00 0.37 -1.96 105.19 108.73 2a20 n GLY 93 Ca 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 0.18 0.21 0.18 -0.61 -0.00 -1.26 -4.86 119.36 113.20 2a20 n ILE 94 Ca 0.08 0.07 0.12 0.00 -0.00 0.00 0.00 62.75 63.02 2a20 n ILE 94 Cb 0.52 -0.94 0.04 0.00 -0.00 0.00 0.00 39.64 39.26 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 -2.66 -2.27 0.04 0.00 -0.00 -0.83 -4.84 115.22 104.67 2a20 n HIS 96 Ca 0.01 0.75 0.00 0.00 0.46 0.00 0.00 57.72 58.94 2a20 n HIS 96 Cb 0.53 -4.21 0.00 0.00 -0.12 0.00 0.00 29.99 26.19 2a20 n HIS 96 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 2a20 n LYS 97 N -4.42 0.00 -1.83 1.57 2.85 -1.26 -4.84 118.16 110.22 2a20 n LYS 97 Ca -0.02 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.82 2a20 n LYS 97 Cb 0.56 -0.34 -0.03 0.00 -0.65 0.00 0.00 35.03 34.57 2a20 n LYS 97 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2a20 s THR 98 N -2.00 3.29 -0.23 0.58 2.01 -1.26 -4.86 115.64 113.17 2a20 s THR 98 Ca 0.00 0.35 -0.13 0.00 0.31 0.00 0.00 61.69 62.21 2a20 s THR 98 Cb 0.00 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 2a20 s THR 98 CO 0.00 -0.05 0.29 -0.54 -0.69 0.00 0.00 174.62 173.63 2a20 s LYS 99 N 4.47 4.09 1.37 4.92 3.01 -1.26 -2.33 119.74 134.02 2a20 s LYS 99 Ca 0.82 -0.04 -0.21 0.00 -1.01 0.00 0.00 55.97 55.53 2a20 s LYS 99 Cb -0.37 -3.57 0.34 0.00 -1.01 0.00 0.00 37.83 33.22 2a20 s LYS 99 CO 0.35 -0.05 0.81 1.19 0.51 0.00 0.00 175.35 178.16 2a20 n PHE 100 N 4.60 -3.14 0.00 3.18 3.72 -1.05 -4.94 117.46 119.83 2a20 n PHE 100 Ca -0.11 -0.58 0.00 0.00 -0.05 0.00 0.00 57.45 56.70 2a20 n PHE 100 Cb 0.51 -1.41 0.00 0.00 -0.94 0.00 0.00 39.48 37.64 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 -5.52 0.00 -2.00 4.37 0.00 -1.26 -4.73 120.51 111.37 2a20 n ALA 101 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.49 2a20 n ALA 101 Cb 0.56 0.13 -0.05 0.00 0.00 0.00 0.00 19.45 20.09 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 -0.62 -0.71 0.00 0.00 8.00 -1.26 -4.95 116.55 117.00 2a20 n ASP 102 Ca 0.00 -1.73 0.00 0.00 0.71 0.00 0.00 54.79 53.77 2a20 n ASP 102 Cb 0.00 0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 2a20 n ASP 102 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a20 n GLY 103 N 0.00 -1.93 2.81 0.44 0.00 -1.26 -4.95 105.19 100.30 2a20 n GLY 103 Ca -0.20 0.57 -0.18 0.00 0.00 0.00 0.00 46.02 46.22 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 5.32 0.30 3.61 0.00 0.00 -1.26 -4.87 105.19 108.29 2a20 n GLY 105 Ca -0.05 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 3.26 -0.10 1.61 3.76 -1.00 -4.98 115.29 117.84 2a20 s HIS 106 Ca 0.00 0.39 0.01 0.00 -0.15 0.00 0.00 55.06 55.31 2a20 s HIS 106 Cb 0.00 -2.53 -0.02 0.00 1.11 0.00 0.00 32.58 31.14 2a20 s HIS 106 CO 0.00 -0.18 -0.12 -0.80 -0.85 0.00 0.00 174.74 172.78 2a20 s ASN 107 N 1.56 4.10 0.05 1.40 0.02 -1.26 0.63 114.94 121.44 2a20 s ASN 107 Ca 0.14 -0.26 -0.34 0.00 -1.02 0.00 0.00 52.86 51.38 2a20 s ASN 107 Cb -0.16 -1.36 -0.13 0.00 0.02 0.00 0.00 41.25 39.63 2a20 s ASN 107 CO 0.10 0.23 1.71 0.00 0.02 0.00 0.00 177.10 179.15 2a20 h SER 109 N 7.33 0.00 0.00 0.00 0.87 0.26 0.24 113.55 122.25 2a20 h SER 109 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 2a20 h SER 109 Cb 1.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 2a20 h SER 109 CO 0.91 0.00 0.00 -1.22 -0.53 0.00 0.00 176.83 175.99 2a20 n TYR 110 N -2.65 0.00 0.30 2.24 4.01 -1.26 -4.70 117.16 115.10 2a20 n TYR 110 Ca -0.02 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.88 2a20 n TYR 110 Cb 0.10 0.00 0.94 0.00 -0.31 0.00 0.00 39.34 40.08 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 -3.71 -0.85 -2.12 0.00 1.13 0.84 -4.93 117.38 107.74 2a20 n GLN 112 Ca -0.03 0.21 -0.39 0.00 -1.94 0.00 0.00 57.00 54.86 2a20 n GLN 112 Cb 0.10 -3.99 -0.00 0.00 0.11 0.00 0.00 30.24 26.46 2a20 n GLN 112 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2a20 s THR 113 N -1.66 2.78 -0.46 5.09 2.01 -1.26 -4.45 115.64 117.70 2a20 s THR 113 Ca 0.00 0.66 -0.25 0.00 0.31 0.00 0.00 61.69 62.41 2a20 s THR 113 Cb 0.00 -3.37 0.03 0.00 0.01 0.00 0.00 72.50 69.17 2a20 s THR 113 CO 0.00 0.06 0.93 -0.54 -0.69 0.00 0.00 174.62 174.38 2a20 s LYS 114 N -2.39 3.55 0.25 4.92 1.02 -1.26 -1.16 119.74 124.67 2a20 s LYS 114 Ca 0.59 0.19 0.06 0.00 0.02 0.00 0.00 55.97 56.83 2a20 s LYS 114 Cb -0.35 -3.92 -0.05 0.00 -0.52 0.00 0.00 37.83 32.99 2a20 s LYS 114 CO 0.44 -1.21 -0.07 -0.59 -0.92 0.00 0.00 175.35 172.99 2a20 s PHE 115 N 3.75 1.80 0.70 3.18 -0.12 0.20 0.14 117.98 127.64 2a20 s PHE 115 Ca 0.37 -0.70 -0.05 0.00 -0.05 0.00 0.00 56.93 56.50 2a20 s PHE 115 Cb -0.10 -0.98 0.08 0.00 -0.63 0.00 0.00 43.02 41.39 2a20 s PHE 115 CO 0.26 0.24 1.00 0.00 -0.05 0.00 0.00 175.22 176.67 2a20 n ALA 117 N -2.89 1.19 0.54 0.00 0.00 -1.26 -1.36 120.51 116.72 2a20 n ALA 117 Ca 0.10 0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.76 2a20 n ALA 117 Cb 0.60 -1.24 -0.02 0.00 0.00 0.00 0.00 19.45 18.79 2a20 n ALA 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2a20 n ARG 118 N -1.99 0.31 -0.88 0.00 1.74 -1.26 -4.18 116.66 110.39 2a20 n ARG 118 Ca -0.00 -0.03 -0.08 0.00 -0.77 0.00 0.00 57.85 56.98 2a20 n ARG 118 Cb 0.07 -1.58 0.20 0.00 -1.02 0.00 0.00 32.46 30.13 2a20 n ARG 118 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2a20 n GLY 120 N -1.11 0.62 3.03 0.00 0.00 -1.22 -2.95 105.19 103.56 2a20 n GLY 120 Ca 0.38 -1.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.21 0.35 -0.11 -0.02 0.00 0.13 -4.78 107.32 99.69 2a20 s GLY 121 Ca 0.19 -0.83 -0.22 0.00 0.00 0.00 0.00 44.72 43.86 2a20 s GLY 121 CO 0.02 -0.91 0.65 -1.60 0.00 0.00 0.00 173.10 171.27 2a20 s ARG 122 N -2.34 4.37 -0.10 2.90 3.52 -1.26 -1.84 118.95 124.20 2a20 s ARG 122 Ca -0.07 0.76 0.01 0.00 -0.13 0.00 0.00 55.73 56.30 2a20 s ARG 122 Cb -0.04 -3.48 0.02 0.00 -1.56 0.00 0.00 34.95 29.89 2a20 s ARG 122 CO -0.04 -0.00 -0.10 0.08 -0.81 0.00 0.00 175.30 174.43 2a20 s VAL 123 N 1.07 1.14 -0.07 7.11 1.01 -0.77 -5.01 120.40 124.88 2a20 s VAL 123 Ca 0.34 -0.41 -0.19 0.00 0.00 0.00 0.00 61.98 61.72 2a20 s VAL 123 Cb -0.17 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 2a20 s VAL 123 CO 0.15 0.38 0.51 -0.55 0.00 0.00 0.00 175.10 175.58 2a20 s SER 124 N 1.25 6.79 -0.17 3.32 0.15 -1.26 -2.49 113.70 121.29 2a20 s SER 124 Ca -0.03 0.94 -0.14 0.00 0.70 0.00 0.00 55.95 57.42 2a20 s SER 124 Cb -0.14 -2.31 -0.07 0.00 -1.71 0.00 0.00 66.02 61.79 2a20 s SER 124 CO -0.04 0.07 -0.18 0.18 1.20 0.00 0.00 173.24 174.47 2a20 n LEU 125 N 3.17 1.86 0.02 3.45 4.77 -1.13 -4.96 117.00 124.18 2a20 n LEU 125 Ca -0.08 0.50 -0.00 0.00 -0.03 0.00 0.00 56.01 56.40 2a20 n LEU 125 Cb 0.52 -0.85 -0.00 0.00 -2.33 0.00 0.00 43.42 40.76 2a20 n LEU 125 CO 0.43 -0.22 -0.00 -1.14 -1.33 0.00 0.00 177.39 175.12 2a20 n ARG 126 N -4.52 0.00 0.20 3.23 3.00 -1.26 -5.07 116.66 112.25 2a20 n ARG 126 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.69 2a20 n ARG 126 Cb 0.45 -0.22 0.00 0.00 0.00 0.00 0.00 32.46 32.69 2a20 n ARG 126 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2a20 n SER 127 N -2.93 -3.64 -0.00 6.15 7.64 -1.26 -4.95 113.62 114.63 2a20 n SER 127 Ca -0.00 0.78 0.10 0.00 1.01 0.00 0.00 58.87 60.75 2a20 n SER 127 Cb 0.00 3.45 -0.13 0.00 -1.01 0.00 0.00 64.21 66.53 2a20 n SER 127 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2a20 n ASN 128 N -3.31 0.76 -4.52 6.43 5.15 -1.26 -4.81 115.26 113.69 2a20 n ASN 128 Ca 0.00 -0.67 -0.42 0.00 -0.60 0.00 0.00 54.58 52.89 2a20 n ASN 128 Cb 0.00 1.28 -0.03 0.00 -0.53 0.00 0.00 39.78 40.50 2a20 n ASN 128 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2a20 s LYS 129 N -3.02 3.50 -0.13 1.20 3.01 -1.26 -4.99 119.74 118.05 2a20 s LYS 129 Ca 0.03 -1.16 -0.12 0.00 -1.01 0.00 0.00 55.97 53.70 2a20 s LYS 129 Cb 0.14 -5.01 -0.05 0.00 -1.01 0.00 0.00 37.83 31.91 2a20 s LYS 129 CO 0.82 -2.05 0.27 0.08 0.51 0.00 0.00 175.35 174.98 2a20 s VAL 130 N 4.38 5.30 -0.01 3.17 1.01 -1.26 -2.85 120.40 130.14 2a20 s VAL 130 Ca 0.39 0.51 0.02 0.00 0.00 0.00 0.00 61.98 62.89 2a20 s VAL 130 Cb -0.04 -3.59 -0.00 0.00 0.00 0.00 0.00 36.38 32.75 2a20 s VAL 130 CO -0.05 0.47 -0.06 -0.04 0.00 0.00 0.00 175.10 175.42 2a20 s MET 131 N -0.07 0.54 -0.14 2.72 -1.94 -1.04 -5.03 119.30 114.34 2a20 s MET 131 Ca 0.17 -0.20 -0.07 0.00 -1.71 0.00 0.00 55.69 53.88 2a20 s MET 131 Cb -0.13 -0.53 -0.04 0.00 2.01 0.00 0.00 34.83 36.13 2a20 s MET 131 CO 0.05 0.10 0.11 -1.58 -0.01 0.00 0.00 175.02 173.68 2a20 s TRP 132 N 0.03 3.46 -0.09 -0.03 0.52 -1.26 -1.84 118.94 119.73 2a20 s TRP 132 Ca 0.00 0.39 0.03 0.00 0.02 0.00 0.00 56.10 56.53 2a20 s TRP 132 Cb -0.04 -1.97 0.01 0.00 -1.15 0.00 0.00 33.47 30.31 2a20 s TRP 132 CO -0.00 0.55 -0.17 0.08 0.02 0.00 0.00 176.95 177.43 2a20 s VAL 133 N -0.58 1.52 0.71 4.03 1.01 -0.76 0.98 120.40 127.30 2a20 s VAL 133 Ca 0.12 -0.69 -0.16 0.00 0.00 0.00 0.00 61.98 61.25 2a20 s VAL 133 Cb -0.12 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 34.91 2a20 s VAL 133 CO 0.02 0.44 1.12 0.00 0.00 0.00 0.00 175.10 176.68 2a20 h ASN 135 N -0.10 0.00 0.77 0.00 2.35 -1.83 0.58 115.58 117.35 2a20 h ASN 135 Ca -0.48 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.02 2a20 h ASN 135 Cb 1.33 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.69 2a20 h ASN 135 CO 0.49 0.00 -1.16 -0.07 -1.65 0.00 0.00 177.43 175.04 2a20 h LEU 136 N 0.00 0.25 0.00 1.61 3.38 -1.88 -3.08 115.31 115.60 2a20 h LEU 136 Ca 0.01 -0.27 -0.24 0.00 0.09 0.00 0.00 57.88 57.47 2a20 h LEU 136 Cb 0.62 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 2a20 h LEU 136 CO -0.00 1.21 -1.56 0.00 0.09 0.00 0.00 178.44 178.18 2a20 h ARG 138 N 0.00 1.10 0.06 0.00 2.43 -0.11 0.14 114.38 118.00 2a20 h ARG 138 Ca -0.23 -0.17 -0.32 0.00 -0.81 0.00 0.00 59.98 58.45 2a20 h ARG 138 Cb 1.84 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 31.17 2a20 h ARG 138 CO 0.07 0.87 -1.77 1.17 -1.51 0.00 0.00 179.97 178.80 2a20 n LYS 139 N -4.37 0.67 0.05 0.20 4.81 -1.16 -1.51 118.16 116.84 2a20 n LYS 139 Ca 0.07 0.38 0.03 0.00 -0.87 0.00 0.00 58.31 57.92 2a20 n LYS 139 Cb 0.15 -1.70 0.41 0.00 0.02 0.00 0.00 35.03 33.91 2a20 n LYS 139 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 2a20 h GLN 140 N -0.42 0.43 -0.08 1.64 4.15 -1.47 -2.69 115.11 116.68 2a20 h GLN 140 Ca -0.42 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.95 2a20 h GLN 140 Cb 1.72 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 29.32 2a20 h GLN 140 CO -0.07 0.36 0.00 1.04 -1.93 0.00 0.00 178.83 178.23 2a20 n GLN 141 N -4.41 2.16 -0.19 1.69 1.13 0.48 -5.03 117.38 113.22 2a20 n GLN 141 Ca 0.01 -2.33 0.00 0.00 -1.94 0.00 0.00 57.00 52.75 2a20 n GLN 141 Cb 0.13 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.06 2a20 n GLN 141 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71