#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 0.04 -0.74 -1.09 2.02 -1.26 -5.09 118.70 112.58 2a20 s GLU 84 Ca 0.00 0.31 -0.26 0.00 0.02 0.00 0.00 54.97 55.03 2a20 s GLU 84 Cb 0.00 -0.66 0.01 0.00 0.10 0.00 0.00 34.13 33.58 2a20 s GLU 84 CO 0.00 -0.35 1.50 -0.65 0.02 0.00 0.00 175.26 175.78 2a20 s GLN 85 N 2.13 3.04 -0.13 1.61 -1.52 -1.26 -4.76 119.66 118.78 2a20 s GLN 85 Ca 0.05 -0.10 0.15 0.00 -1.95 0.00 0.00 55.36 53.51 2a20 s GLN 85 Cb -0.12 -4.41 0.33 0.00 -0.22 0.00 0.00 33.01 28.59 2a20 s GLN 85 CO -0.04 -2.39 1.16 1.17 -0.25 0.00 0.00 175.29 174.95 2a20 n LYS 86 N 9.25 1.11 -1.33 2.91 4.81 -1.26 -4.95 118.16 128.70 2a20 n LYS 86 Ca 0.13 -2.63 -0.09 0.00 -0.87 0.00 0.00 58.31 54.85 2a20 n LYS 86 Cb 0.50 -1.25 -0.03 0.00 0.02 0.00 0.00 35.03 34.26 2a20 n LYS 86 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2a20 n GLY 87 N -0.91 0.97 3.68 3.14 0.00 -1.26 -4.98 105.19 105.83 2a20 n GLY 87 Ca 0.14 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 2a20 n GLY 87 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2a20 s ASP 88 N -2.88 7.20 0.91 1.61 1.47 -1.26 -5.04 116.67 118.68 2a20 s ASP 88 Ca 0.00 1.48 -0.12 0.00 1.18 0.00 0.00 52.55 55.09 2a20 s ASP 88 Cb 0.00 -2.54 0.14 0.00 -0.34 0.00 0.00 42.92 40.17 2a20 s ASP 88 CO 0.00 -0.45 1.09 0.00 0.68 0.00 0.00 175.17 176.49 2a20 s ALA 89 N 2.08 1.49 -0.02 2.11 0.00 -1.26 -5.00 121.76 121.15 2a20 s ALA 89 Ca 0.47 -0.15 -0.26 0.00 0.00 0.00 0.00 51.96 52.02 2a20 s ALA 89 Cb -0.18 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 2a20 s ALA 89 CO 0.17 -2.40 0.82 -1.25 0.00 0.00 0.00 175.76 173.10 2a20 s PRO 90 N -4.97 4.50 0.05 0.00 0.05 -1.26 -5.02 135.00 128.34 2a20 s PRO 90 Ca 0.64 1.12 0.03 0.00 0.05 0.00 0.00 61.00 62.84 2a20 s PRO 90 Cb -0.18 -3.44 -0.02 0.00 0.05 0.00 0.00 34.50 30.91 2a20 s PRO 90 CO 0.57 0.05 -0.09 0.95 0.05 0.00 0.00 177.00 178.53 2a20 s THR 91 N 0.74 0.65 0.20 1.26 -4.23 -1.26 -2.27 115.64 110.74 2a20 s THR 91 Ca 0.43 -1.10 -0.30 0.00 -1.18 0.00 0.00 61.69 59.55 2a20 s THR 91 Cb -0.19 -0.69 -0.08 0.00 1.34 0.00 0.00 72.50 72.87 2a20 s THR 91 CO 0.23 -0.33 1.17 0.00 -0.54 0.00 0.00 174.62 175.15 2a20 n GLY 93 N 1.98 0.34 0.97 0.00 0.00 0.41 -1.89 105.19 107.01 2a20 n GLY 93 Ca 0.03 -0.15 -0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.03 0.09 0.64 -0.61 -0.00 -1.26 -4.84 119.36 113.35 2a20 n ILE 94 Ca 0.05 0.04 0.12 0.00 -0.00 0.00 0.00 62.75 62.96 2a20 n ILE 94 Cb 0.22 -1.06 0.18 0.00 -0.00 0.00 0.00 39.64 38.98 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 -2.00 -0.70 -0.02 0.00 -0.00 -0.79 -4.76 115.22 106.94 2a20 n HIS 96 Ca 0.04 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.16 2a20 n HIS 96 Cb 0.42 -2.73 -0.02 0.00 -0.12 0.00 0.00 29.99 27.54 2a20 n HIS 96 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 2a20 n LYS 97 N -2.23 0.24 -1.77 1.57 4.81 -1.26 -4.75 118.16 114.76 2a20 n LYS 97 Ca -0.15 0.10 -0.43 0.00 -0.87 0.00 0.00 58.31 56.96 2a20 n LYS 97 Cb 0.51 -0.92 -0.03 0.00 0.02 0.00 0.00 35.03 34.62 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 -2.37 3.21 -0.21 3.15 2.01 -1.26 -4.84 115.64 115.33 2a20 s THR 98 Ca -0.14 0.23 -0.16 0.00 0.31 0.00 0.00 61.69 61.93 2a20 s THR 98 Cb 0.03 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 2a20 s THR 98 CO 0.19 -0.13 0.41 -0.54 -0.69 0.00 0.00 174.62 173.86 2a20 s LYS 99 N 5.68 4.15 1.16 4.92 1.02 -1.26 -2.13 119.74 133.29 2a20 s LYS 99 Ca 0.90 0.21 -0.16 0.00 0.02 0.00 0.00 55.97 56.94 2a20 s LYS 99 Cb -0.31 -3.56 0.21 0.00 -0.52 0.00 0.00 37.83 33.65 2a20 s LYS 99 CO 0.35 -0.09 0.53 1.19 -0.92 0.00 0.00 175.35 176.40 2a20 n PHE 100 N 4.65 -1.41 -1.03 3.18 3.72 -0.96 -4.94 117.46 120.67 2a20 n PHE 100 Ca -0.08 -0.04 -0.04 0.00 -0.05 0.00 0.00 57.45 57.25 2a20 n PHE 100 Cb 0.51 -1.62 0.03 0.00 -0.94 0.00 0.00 39.48 37.45 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 -4.76 -0.26 -1.55 4.37 0.00 -1.26 -4.62 120.51 112.43 2a20 n ALA 101 Ca 0.02 -0.24 -0.25 0.00 0.00 0.00 0.00 53.44 52.97 2a20 n ALA 101 Cb 0.58 -0.01 -0.06 0.00 0.00 0.00 0.00 19.45 19.95 2a20 n ALA 101 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2a20 n ASP 102 N -3.14 1.81 0.00 0.00 2.03 -1.26 -4.07 116.55 111.92 2a20 n ASP 102 Ca 0.02 -0.96 0.00 0.00 0.52 0.00 0.00 54.79 54.37 2a20 n ASP 102 Cb 0.08 -1.55 0.00 0.00 -0.72 0.00 0.00 41.12 38.93 2a20 n ASP 102 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2a20 n GLY 103 N 6.39 0.99 2.97 0.27 0.00 -1.26 -5.06 105.19 109.49 2a20 n GLY 103 Ca 0.45 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 3.03 0.90 3.62 0.00 0.00 -1.26 -4.74 105.19 106.73 2a20 n GLY 105 Ca -0.12 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 44.68 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 0.16 3.27 -0.15 1.61 3.76 -0.86 -4.97 115.29 118.11 2a20 s HIS 106 Ca 0.00 0.37 -0.03 0.00 -0.15 0.00 0.00 55.06 55.25 2a20 s HIS 106 Cb 0.00 -2.50 -0.02 0.00 1.11 0.00 0.00 32.58 31.17 2a20 s HIS 106 CO 0.00 -0.15 -0.06 -0.80 -0.85 0.00 0.00 174.74 172.88 2a20 s ASN 107 N 1.50 4.64 -0.04 1.40 0.02 -1.26 0.11 114.94 121.32 2a20 s ASN 107 Ca 0.13 -0.17 -0.34 0.00 -1.02 0.00 0.00 52.86 51.46 2a20 s ASN 107 Cb -0.15 -1.75 -0.12 0.00 0.02 0.00 0.00 41.25 39.24 2a20 s ASN 107 CO 0.09 0.17 1.81 0.00 0.02 0.00 0.00 177.10 179.19 2a20 h SER 109 N 8.38 0.00 0.00 0.00 0.87 0.12 0.17 113.55 123.09 2a20 h SER 109 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2a20 h SER 109 Cb 1.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 2a20 h SER 109 CO 0.93 0.00 0.00 -1.22 -0.53 0.00 0.00 176.83 176.01 2a20 n TYR 110 N -2.64 0.00 0.27 2.24 4.01 -1.26 -4.69 117.16 115.09 2a20 n TYR 110 Ca -0.02 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.89 2a20 n TYR 110 Cb 0.08 0.00 0.91 0.00 -0.31 0.00 0.00 39.34 40.01 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 -3.72 -0.14 -2.15 0.00 1.13 0.59 -4.96 117.38 108.13 2a20 n GLN 112 Ca -0.01 0.04 -0.38 0.00 -1.94 0.00 0.00 57.00 54.70 2a20 n GLN 112 Cb 0.19 -3.14 -0.00 0.00 0.11 0.00 0.00 30.24 27.39 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 -2.82 2.86 -0.32 5.09 2.01 -1.26 -4.39 115.64 116.80 2a20 s THR 113 Ca 0.00 0.68 -0.24 0.00 0.31 0.00 0.00 61.69 62.45 2a20 s THR 113 Cb 0.00 -3.37 0.00 0.00 0.01 0.00 0.00 72.50 69.15 2a20 s THR 113 CO 0.00 0.03 0.80 -0.54 -0.69 0.00 0.00 174.62 174.22 2a20 s LYS 114 N -2.56 3.91 0.20 4.92 1.02 -1.26 -0.22 119.74 125.76 2a20 s LYS 114 Ca 0.62 0.53 0.04 0.00 0.02 0.00 0.00 55.97 57.18 2a20 s LYS 114 Cb -0.33 -3.75 -0.05 0.00 -0.52 0.00 0.00 37.83 33.18 2a20 s LYS 114 CO 0.40 -0.73 -0.05 -0.59 -0.92 0.00 0.00 175.35 173.46 2a20 s PHE 115 N 3.02 1.50 0.71 3.18 -0.12 0.31 0.16 117.98 126.74 2a20 s PHE 115 Ca 0.33 -0.83 -0.06 0.00 -0.05 0.00 0.00 56.93 56.32 2a20 s PHE 115 Cb -0.14 -0.83 0.08 0.00 -0.63 0.00 0.00 43.02 41.51 2a20 s PHE 115 CO 0.14 0.05 1.01 0.00 -0.05 0.00 0.00 175.22 176.37 2a20 h ALA 117 N -0.59 1.00 0.00 0.00 0.00 -1.94 -0.56 119.26 117.17 2a20 h ALA 117 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2a20 h ALA 117 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2a20 h ALA 117 CO 0.54 0.00 -1.29 0.54 0.00 0.00 0.00 179.25 179.04 2a20 n ARG 118 N -2.43 0.50 -0.98 0.00 1.74 -1.26 -4.13 116.66 110.10 2a20 n ARG 118 Ca -0.02 -0.01 -0.12 0.00 -0.77 0.00 0.00 57.85 56.93 2a20 n ARG 118 Cb 0.04 -1.65 0.20 0.00 -1.02 0.00 0.00 32.46 30.03 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 -1.06 0.82 3.12 0.00 0.00 -1.18 -2.99 105.19 103.91 2a20 n GLY 120 Ca 0.44 -0.92 -0.08 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.61 0.27 -0.22 -0.02 0.00 0.03 -4.75 107.32 100.03 2a20 s GLY 121 Ca 0.06 -0.83 -0.21 0.00 0.00 0.00 0.00 44.72 43.73 2a20 s GLY 121 CO 0.00 -0.97 0.67 -1.60 0.00 0.00 0.00 173.10 171.20 2a20 s ARG 122 N -3.40 4.18 -0.36 2.90 3.52 -1.26 -1.68 118.95 122.85 2a20 s ARG 122 Ca 0.02 0.66 -0.00 0.00 -0.13 0.00 0.00 55.73 56.27 2a20 s ARG 122 Cb 0.04 -3.61 0.13 0.00 -1.56 0.00 0.00 34.95 29.94 2a20 s ARG 122 CO -0.08 -0.34 0.19 0.08 -0.81 0.00 0.00 175.30 174.34 2a20 s VAL 123 N 2.25 0.49 -0.09 7.11 1.01 0.18 -4.98 120.40 126.37 2a20 s VAL 123 Ca 0.29 -1.72 -0.18 0.00 0.00 0.00 0.00 61.98 60.37 2a20 s VAL 123 Cb -0.16 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 2a20 s VAL 123 CO 0.09 -0.89 0.49 -0.44 0.00 0.00 0.00 175.10 174.36 2a20 s SER 124 N 1.13 6.75 -1.19 3.32 0.01 -1.26 -2.19 113.70 120.27 2a20 s SER 124 Ca 0.16 0.89 -0.12 0.00 1.31 0.00 0.00 55.95 58.19 2a20 s SER 124 Cb -0.22 -2.30 0.20 0.00 0.21 0.00 0.00 66.02 63.92 2a20 s SER 124 CO -0.08 0.05 1.38 0.18 0.41 0.00 0.00 173.24 175.18 2a20 n LEU 125 N 3.34 5.42 -1.18 2.44 4.77 -1.10 -4.86 117.00 125.83 2a20 n LEU 125 Ca -0.08 -4.65 0.00 0.00 -0.03 0.00 0.00 56.01 51.26 2a20 n LEU 125 Cb 0.52 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 2a20 n LEU 125 CO 0.43 0.96 -0.32 0.54 -1.33 0.00 0.00 177.39 177.67 2a20 n ARG 126 N 4.63 -3.36 -1.51 3.23 5.12 -1.26 -4.52 116.66 118.99 2a20 n ARG 126 Ca 0.33 2.46 -0.35 0.00 -1.93 0.00 0.00 57.85 58.37 2a20 n ARG 126 Cb 0.41 -2.74 -0.14 0.00 -1.16 0.00 0.00 32.46 28.83 2a20 n ARG 126 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2a20 n SER 127 N -0.39 0.32 0.00 0.55 7.64 -1.26 -3.34 113.62 117.14 2a20 n SER 127 Ca 0.00 -0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.72 2a20 n SER 127 Cb 0.00 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.22 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 10.76 0.00 -3.67 6.43 5.15 -1.26 -5.13 115.26 127.54 2a20 n ASN 128 Ca 0.61 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 54.51 2a20 n ASN 128 Cb 0.15 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.31 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 0.00 0.49 -0.29 1.20 1.02 -1.21 -5.11 119.74 115.84 2a20 s LYS 129 Ca 0.00 1.02 -0.15 0.00 0.02 0.00 0.00 55.97 56.86 2a20 s LYS 129 Cb 0.00 0.16 -0.03 0.00 -0.52 0.00 0.00 37.83 37.44 2a20 s LYS 129 CO 0.00 -0.17 0.36 0.08 -0.92 0.00 0.00 175.35 174.70 2a20 s VAL 130 N 1.79 5.17 0.00 3.17 1.01 -1.26 -2.71 120.40 127.57 2a20 s VAL 130 Ca -0.08 0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.33 2a20 s VAL 130 Cb -0.08 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 2a20 s VAL 130 CO -0.15 0.08 -0.12 -0.04 0.00 0.00 0.00 175.10 174.86 2a20 s MET 131 N 2.05 2.39 -0.12 2.72 -1.94 -0.93 -4.95 119.30 118.52 2a20 s MET 131 Ca 0.14 -0.79 0.01 0.00 -1.71 0.00 0.00 55.69 53.33 2a20 s MET 131 Cb -0.16 -2.37 -0.02 0.00 2.01 0.00 0.00 34.83 34.29 2a20 s MET 131 CO 0.11 0.59 -0.14 -1.58 -0.01 0.00 0.00 175.02 173.98 2a20 s TRP 132 N -0.90 2.77 -0.14 -0.03 0.52 -1.26 0.48 118.94 120.39 2a20 s TRP 132 Ca 0.15 -0.60 0.02 0.00 0.02 0.00 0.00 56.10 55.68 2a20 s TRP 132 Cb -0.11 -1.80 0.01 0.00 -1.15 0.00 0.00 33.47 30.42 2a20 s TRP 132 CO 0.05 -0.17 -0.20 0.08 0.02 0.00 0.00 176.95 176.73 2a20 s VAL 133 N 0.19 2.28 0.78 4.03 1.01 -0.68 0.16 120.40 128.18 2a20 s VAL 133 Ca -0.08 -0.90 -0.14 0.00 0.00 0.00 0.00 61.98 60.85 2a20 s VAL 133 Cb -0.15 -1.93 0.05 0.00 0.00 0.00 0.00 36.38 34.35 2a20 s VAL 133 CO 0.05 0.54 1.09 0.00 0.00 0.00 0.00 175.10 176.78 2a20 h ASN 135 N -0.68 0.00 0.82 0.00 2.35 -1.83 0.44 115.58 116.69 2a20 h ASN 135 Ca -0.47 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.04 2a20 h ASN 135 Cb 1.31 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.65 2a20 h ASN 135 CO 0.46 0.00 -1.19 -0.07 -1.65 0.00 0.00 177.43 174.98 2a20 h LEU 136 N 0.00 0.09 0.07 1.61 3.38 -1.88 -2.76 115.31 115.82 2a20 h LEU 136 Ca 0.00 -0.11 -0.29 0.00 0.09 0.00 0.00 57.88 57.57 2a20 h LEU 136 Cb 0.38 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2a20 h LEU 136 CO 0.00 1.09 -1.60 0.00 0.09 0.00 0.00 178.44 178.02 2a20 h ARG 138 N -0.47 0.00 0.00 0.00 2.43 -0.43 0.37 114.38 116.27 2a20 h ARG 138 Ca -0.38 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.62 2a20 h ARG 138 Cb 1.67 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 31.19 2a20 h ARG 138 CO -0.06 0.09 -1.00 -0.22 -1.51 0.00 0.00 179.97 177.27 2a20 h LYS 139 N 0.00 0.00 -0.24 0.20 1.63 -1.64 -3.25 116.57 113.27 2a20 h LYS 139 Ca -0.00 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.75 2a20 h LYS 139 Cb 0.17 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 2a20 h LYS 139 CO 0.01 0.82 -0.06 1.96 -3.45 0.00 0.00 179.45 178.74 2a20 h GLN 140 N -1.00 0.37 -0.34 1.90 4.20 -1.41 -1.66 115.11 117.18 2a20 h GLN 140 Ca -0.26 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.37 2a20 h GLN 140 Cb 1.13 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.85 2a20 h GLN 140 CO -0.16 0.45 0.00 1.04 -0.67 0.00 0.00 178.83 179.50 2a20 n GLN 141 N -4.28 1.80 -0.27 1.46 1.13 0.13 -5.05 117.38 112.29 2a20 n GLN 141 Ca 0.00 -1.24 0.00 0.00 -1.94 0.00 0.00 57.00 53.82 2a20 n GLN 141 Cb 0.25 -1.28 0.00 0.00 0.11 0.00 0.00 30.24 29.32 2a20 n GLN 141 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71