#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ard s SER 103 N 0.00 -0.22 0.02 2.89 0.01 -1.26 -5.11 113.70 110.02 1ard s SER 103 Ca 0.00 0.45 -0.03 0.00 1.31 0.00 0.00 55.95 57.68 1ard s SER 103 Cb 0.00 0.37 -0.02 0.00 0.21 0.00 0.00 66.02 66.58 1ard s SER 103 CO 0.00 -0.14 0.08 0.49 0.41 0.00 0.00 173.24 174.08 1ard n PHE 104 N 3.88 -0.02 -3.69 2.43 3.72 -1.26 -4.62 117.46 117.90 1ard n PHE 104 Ca -0.22 0.11 -0.17 0.00 -0.05 0.00 0.00 57.45 57.12 1ard n PHE 104 Cb 0.54 -0.22 -0.16 0.00 -0.94 0.00 0.00 39.48 38.70 1ard n PHE 104 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1ard s VAL 105 N -0.08 -0.17 -0.55 -4.37 1.01 -1.25 -2.47 120.40 112.53 1ard s VAL 105 Ca 0.08 0.34 -0.26 0.00 0.00 0.00 0.00 61.98 62.14 1ard s VAL 105 Cb -0.11 -0.22 -0.08 0.00 0.00 0.00 0.00 36.38 35.96 1ard s VAL 105 CO 0.06 0.14 2.42 0.00 0.00 0.00 0.00 175.10 177.73 1ard n GLU 107 N 8.96 0.01 0.00 0.00 -0.58 -1.26 0.60 120.64 128.37 1ard n GLU 107 Ca 0.39 0.33 0.00 0.00 -0.42 0.00 0.00 57.16 57.46 1ard n GLU 107 Cb 0.52 -1.70 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 1ard n GLU 107 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1ard n VAL 108 N -1.36 0.00 0.56 2.62 0.31 -1.26 -4.36 118.33 114.84 1ard n VAL 108 Ca -0.00 0.42 0.10 0.00 -0.01 0.00 0.00 64.34 64.85 1ard n VAL 108 Cb 0.19 -1.29 0.27 0.00 -0.91 0.00 0.00 33.84 32.10 1ard n VAL 108 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ard n THR 110 N 1.00 -2.44 -3.54 0.00 -2.24 2.53 -4.93 114.28 104.68 1ard n THR 110 Ca 0.18 -0.13 -0.37 0.00 -2.27 0.00 0.00 64.05 61.46 1ard n THR 110 Cb 0.47 -2.87 -0.07 0.00 -2.10 0.00 0.00 70.33 65.76 1ard n THR 110 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ard s ARG 111 N -6.54 4.13 -0.12 -0.78 0.52 -1.07 -4.65 118.95 110.45 1ard s ARG 111 Ca 0.51 0.17 -0.06 0.00 -0.52 0.00 0.00 55.73 55.83 1ard s ARG 111 Cb -0.26 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 31.80 1ard s ARG 111 CO 0.84 0.36 0.11 0.00 0.02 0.00 0.00 175.30 176.63 1ard s ALA 112 N 0.08 3.74 0.13 2.13 0.00 -1.26 0.21 121.76 126.79 1ard s ALA 112 Ca 0.19 -0.68 0.05 0.00 0.00 0.00 0.00 51.96 51.51 1ard s ALA 112 Cb -0.14 -1.87 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 1ard s ALA 112 CO 0.06 0.59 -0.11 -0.06 0.00 0.00 0.00 175.76 176.24 1ard s PHE 113 N -0.93 1.25 -0.45 0.00 0.08 -1.03 -5.00 117.98 111.89 1ard s PHE 113 Ca 0.14 -0.70 0.23 0.00 0.12 0.00 0.00 56.93 56.73 1ard s PHE 113 Cb -0.12 -0.64 0.38 0.00 -0.57 0.00 0.00 43.02 42.07 1ard s PHE 113 CO 0.03 0.08 1.62 0.00 -0.10 0.00 0.00 175.22 176.85 1ard h ALA 114 N 3.08 1.00 -3.38 5.36 0.00 -1.97 -3.39 119.26 119.96 1ard h ALA 114 Ca -0.37 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.04 1ard h ALA 114 Cb 1.19 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.78 1ard h ALA 114 CO 0.59 0.00 -0.80 1.03 0.00 0.00 0.00 179.25 180.07 1ard s ARG 115 N -3.21 1.07 0.00 0.00 1.81 -1.26 -5.04 118.95 112.32 1ard s ARG 115 Ca 0.07 -1.17 -0.21 0.00 -1.72 0.00 0.00 55.73 52.70 1ard s ARG 115 Cb 0.05 -1.19 -0.20 0.00 -0.45 0.00 0.00 34.95 33.17 1ard s ARG 115 CO 0.66 0.26 1.17 1.96 -0.68 0.00 0.00 175.30 178.67 1ard h GLN 116 N 3.90 0.33 -0.86 3.54 7.50 -1.99 -3.23 115.11 124.30 1ard h GLN 116 Ca -0.43 -0.28 0.22 0.00 0.50 0.00 0.00 58.65 58.66 1ard h GLN 116 Cb 1.19 0.06 -0.14 0.00 0.05 0.00 0.00 27.48 28.64 1ard h GLN 116 CO 0.43 0.92 0.20 0.93 -1.50 0.00 0.00 178.83 179.82 1ard h GLU 117 N -0.18 0.19 -0.46 1.46 4.39 -1.98 0.46 114.58 118.45 1ard h GLU 117 Ca -0.02 -0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.75 1ard h GLU 117 Cb 0.99 -0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 29.52 1ard h GLU 117 CO 0.07 0.13 -0.04 0.45 -1.16 0.00 0.00 179.01 178.46 1ard h HIS 118 N 0.19 -0.09 0.80 4.33 3.86 -1.98 0.47 115.15 122.73 1ard h HIS 118 Ca 0.53 0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.74 1ard h HIS 118 Cb 1.05 0.11 0.01 0.00 1.06 0.00 0.00 27.41 29.64 1ard h HIS 118 CO -0.29 -0.13 -0.39 1.25 0.86 0.00 0.00 177.93 179.23 1ard h LEU 119 N 0.08 -0.91 -0.24 2.43 5.85 -0.24 0.53 115.31 122.80 1ard h LEU 119 Ca 0.23 0.03 0.02 0.00 0.84 0.00 0.00 57.88 59.01 1ard h LEU 119 Cb 0.35 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 1ard h LEU 119 CO -0.42 -0.64 -0.23 0.50 -0.34 0.00 0.00 178.44 177.32 1ard h LYS 120 N -1.10 -0.10 -0.99 1.25 1.63 -0.66 0.62 116.57 117.22 1ard h LYS 120 Ca -0.11 0.01 0.22 0.00 -0.85 0.00 0.00 60.65 59.91 1ard h LYS 120 Cb 0.83 0.02 -0.10 0.00 -0.60 0.00 0.00 32.23 32.38 1ard h LYS 120 CO 0.18 -0.07 0.62 -0.09 -3.45 0.00 0.00 179.45 176.65 1ard h ARG 121 N -0.10 0.56 -0.65 1.90 9.65 -0.09 0.32 114.38 125.97 1ard h ARG 121 Ca 0.04 -0.03 0.01 0.00 -1.10 0.00 0.00 59.98 58.89 1ard h ARG 121 Cb 0.21 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.63 1ard h ARG 121 CO -0.28 0.37 0.43 1.25 2.80 0.00 0.00 179.97 184.54 1ard h HIS 122 N 0.58 0.81 -0.69 2.20 -0.00 0.46 -2.30 115.15 116.21 1ard h HIS 122 Ca 0.57 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.98 1ard h HIS 122 Cb 1.14 -0.27 -0.04 0.00 -0.00 0.00 0.00 27.41 28.23 1ard h HIS 122 CO -0.00 0.51 0.43 1.88 -0.00 0.00 0.00 177.93 180.74 1ard h TYR 123 N 0.87 0.80 -0.42 5.26 0.05 0.39 -2.70 116.97 121.22 1ard h TYR 123 Ca 0.24 0.02 0.15 0.00 0.05 0.00 0.00 58.73 59.19 1ard h TYR 123 Cb -0.09 -0.26 -0.08 0.00 1.01 0.00 0.00 36.73 37.31 1ard h TYR 123 CO -0.03 0.46 0.12 2.89 -1.05 0.00 0.00 178.16 180.55 1ard n ARG 124 N -4.68 -0.03 0.06 4.88 -4.01 -0.83 0.34 116.66 112.39 1ard n ARG 124 Ca 0.07 0.60 -0.12 0.00 -1.04 0.00 0.00 57.85 57.37 1ard n ARG 124 Cb 0.09 -1.02 -0.08 0.00 -3.04 0.00 0.00 32.46 28.40 1ard n ARG 124 CO 0.00 0.00 0.00 0.66 -3.04 0.00 0.00 177.63 175.25 1ard h SER 125 N 0.00 -0.18 -1.31 2.89 4.64 -1.62 -2.93 113.55 115.05 1ard h SER 125 Ca 0.31 -0.35 0.38 0.00 -0.47 0.00 0.00 61.79 61.66 1ard h SER 125 Cb 0.75 0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.83 1ard h SER 125 CO -0.36 0.32 1.20 0.45 -0.87 0.00 0.00 176.83 177.57 1ard h HIS 126 N -0.74 0.00 0.00 4.77 3.86 0.56 -3.41 115.15 120.19 1ard h HIS 126 Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1ard h HIS 126 Cb 0.52 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1ard h HIS 126 CO 0.07 0.00 0.00 -2.37 0.86 0.00 0.00 177.93 176.49 1ard n THR 127 N -3.58 0.00 -2.14 2.45 5.66 -0.60 -5.08 114.28 111.00 1ard n THR 127 Ca 0.29 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 61.24 1ard n THR 127 Cb 1.60 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 70.37 1ard n THR 127 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1ard n ASN 128 N 0.00 -0.99 -4.57 1.09 4.13 -1.18 -4.81 115.26 108.94 1ard n ASN 128 Ca 0.00 -1.83 -0.41 0.00 1.68 0.00 0.00 54.58 54.02 1ard n ASN 128 Cb 0.00 0.36 -0.08 0.00 -1.54 0.00 0.00 39.78 38.52 1ard n ASN 128 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1ard s GLU 129 N 0.03 3.69 0.00 3.52 0.41 -1.26 -5.11 118.70 119.98 1ard s GLU 129 Ca 0.02 -0.13 0.00 0.00 -0.41 0.00 0.00 54.97 54.45 1ard s GLU 129 Cb 0.11 -3.78 0.00 0.00 -1.78 0.00 0.00 34.13 28.69 1ard s GLU 129 CO -0.03 -0.57 0.07 0.36 -0.49 0.00 0.00 175.26 174.60