#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jbu h VAL 92 N 0.00 0.45 -3.22 0.00 3.04 -1.97 -3.23 116.25 111.31 1jbu h VAL 92 Ca -0.00 -0.16 -0.67 0.00 -1.01 0.00 0.00 66.70 64.86 1jbu h VAL 92 Cb 0.05 1.11 -0.33 0.00 -2.01 0.00 0.00 31.29 30.11 1jbu h VAL 92 CO 0.00 0.03 -0.86 0.20 -1.01 0.00 0.00 177.57 175.94 1jbu s ASN 93 N -6.00 3.20 -1.70 3.17 0.01 -0.97 -4.68 114.94 107.96 1jbu s ASN 93 Ca -0.04 -0.58 0.00 0.00 -0.71 0.00 0.00 52.86 51.53 1jbu s ASN 93 Cb 0.14 -1.46 0.00 0.00 0.41 0.00 0.00 41.25 40.34 1jbu s ASN 93 CO 0.54 0.09 0.00 -0.62 -1.51 0.00 0.00 177.10 175.59 1jbu n GLU 94 N 4.03 -1.58 -2.52 -0.60 -0.58 -1.26 -1.63 120.64 116.49 1jbu n GLU 94 Ca -0.20 0.95 -0.21 0.00 -0.42 0.00 0.00 57.16 57.29 1jbu n GLU 94 Cb 0.52 -5.39 -0.00 0.00 -0.57 0.00 0.00 31.44 25.99 1jbu n GLU 94 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1jbu n ASN 95 N -1.33 -5.80 0.00 1.62 5.15 -1.22 -1.06 115.26 112.63 1jbu n ASN 95 Ca -0.19 -0.05 0.00 0.00 -0.60 0.00 0.00 54.58 53.74 1jbu n ASN 95 Cb 0.60 -4.81 0.00 0.00 -0.53 0.00 0.00 39.78 35.04 1jbu n ASN 95 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jbu n GLY 96 N -1.09 0.15 2.37 8.20 0.00 -0.65 -1.18 105.19 112.99 1jbu n GLY 96 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1jbu n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jbu n GLY 97 N -0.23 0.75 3.76 -0.02 0.00 -0.22 -4.87 105.19 104.36 1jbu n GLY 97 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1jbu n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jbu h GLU 99 N 3.94 1.00 0.00 0.00 4.81 -1.56 -3.45 114.58 119.33 1jbu h GLU 99 Ca -0.46 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.35 1jbu h GLU 99 Cb 1.21 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1jbu h GLU 99 CO 0.67 1.10 0.00 1.04 -0.73 0.00 0.00 179.01 181.09 1jbu n GLN 100 N -4.13 0.00 -3.67 1.92 6.02 -1.26 -5.04 117.38 111.22 1jbu n GLN 100 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.70 1jbu n GLN 100 Cb 0.44 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.67 1jbu n GLN 100 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1jbu s TYR 101 N 0.51 3.48 -0.04 1.08 2.02 -0.54 -4.97 117.35 118.89 1jbu s TYR 101 Ca 0.00 0.45 0.01 0.00 -0.37 0.00 0.00 57.07 57.17 1jbu s TYR 101 Cb 0.00 -1.93 0.02 0.00 -0.40 0.00 0.00 41.96 39.64 1jbu s TYR 101 CO 0.00 0.40 -0.05 0.00 -1.57 0.00 0.00 175.55 174.33 1jbu s SER 103 N 0.74 2.96 0.33 0.00 0.01 -0.19 -4.97 113.70 112.58 1jbu s SER 103 Ca -0.10 -0.52 -0.09 0.00 1.31 0.00 0.00 55.95 56.55 1jbu s SER 103 Cb -0.13 -1.21 -0.06 0.00 0.21 0.00 0.00 66.02 64.83 1jbu s SER 103 CO 0.00 0.17 0.65 -1.81 0.41 0.00 0.00 173.24 172.67 1jbu s ASP 104 N 0.23 6.52 -0.01 2.44 -0.00 -1.26 -1.54 116.67 123.06 1jbu s ASP 104 Ca -0.14 0.95 0.01 0.00 -0.00 0.00 0.00 52.55 53.36 1jbu s ASP 104 Cb -0.17 -2.24 0.01 0.00 -0.00 0.00 0.00 42.92 40.52 1jbu s ASP 104 CO 0.07 -0.26 -0.02 -1.00 -0.00 0.00 0.00 175.17 173.96 1jbu s HIS 105 N -2.15 0.28 0.09 4.23 3.76 -1.26 -4.94 115.29 115.30 1jbu s HIS 105 Ca 0.48 -0.04 -0.26 0.00 -0.15 0.00 0.00 55.06 55.09 1jbu s HIS 105 Cb -0.11 -0.24 -0.14 0.00 1.11 0.00 0.00 32.58 33.20 1jbu s HIS 105 CO 0.28 -0.04 1.69 1.79 -0.85 0.00 0.00 174.74 177.61 1jbu h THR 106 N 5.42 0.72 0.00 1.30 1.35 -1.99 -3.41 112.91 116.30 1jbu h THR 106 Ca -0.31 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1jbu h THR 106 Cb 1.18 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1jbu h THR 106 CO 0.50 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.38 1jbu n GLY 107 N -1.25 1.19 3.07 5.82 0.00 -1.26 -4.99 105.19 107.77 1jbu n GLY 107 Ca -0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 1jbu n GLY 107 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jbu n THR 108 N 0.00 0.00 -1.18 2.61 -2.24 -1.26 -5.02 114.28 107.19 1jbu n THR 108 Ca 0.00 -0.20 -0.29 0.00 -2.27 0.00 0.00 64.05 61.29 1jbu n THR 108 Cb 0.00 -1.05 0.17 0.00 -2.10 0.00 0.00 70.33 67.35 1jbu n THR 108 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1jbu s LYS 109 N -5.09 0.57 0.80 -0.78 -2.85 -1.26 -4.48 119.74 106.66 1jbu s LYS 109 Ca 0.64 0.56 -0.12 0.00 -1.00 0.00 0.00 55.97 56.05 1jbu s LYS 109 Cb -0.09 -1.75 0.08 0.00 -2.06 0.00 0.00 37.83 34.01 1jbu s LYS 109 CO 0.51 -2.64 1.15 -0.98 0.10 0.00 0.00 175.35 173.49 1jbu s ARG 110 N -4.97 1.79 0.08 1.78 1.04 -1.26 -4.57 118.95 112.84 1jbu s ARG 110 Ca 0.65 1.53 0.09 0.00 -1.04 0.00 0.00 55.73 56.96 1jbu s ARG 110 Cb -0.18 -1.82 -0.03 0.00 -2.04 0.00 0.00 34.95 30.88 1jbu s ARG 110 CO 0.57 -2.05 -0.25 -1.54 -0.04 0.00 0.00 175.30 172.00 1jbu s SER 111 N -2.61 2.97 0.11 -2.89 1.04 -0.59 -4.99 113.70 106.75 1jbu s SER 111 Ca 0.68 -0.63 0.02 0.00 0.48 0.00 0.00 55.95 56.50 1jbu s SER 111 Cb -0.23 -0.23 -0.04 0.00 0.10 0.00 0.00 66.02 65.62 1jbu s SER 111 CO 0.52 0.19 0.20 0.00 0.98 0.00 0.00 173.24 175.13 1jbu s ARG 113 N -2.87 1.52 0.15 0.00 0.52 0.02 -4.96 118.95 113.33 1jbu s ARG 113 Ca 0.33 -1.85 0.06 0.00 -0.52 0.00 0.00 55.73 53.75 1jbu s ARG 113 Cb -0.12 -0.01 -0.04 0.00 0.52 0.00 0.00 34.95 35.30 1jbu s ARG 113 CO 0.26 -0.44 -0.14 0.00 0.02 0.00 0.00 175.30 175.00 1jbu s HIS 115 N -2.49 2.69 0.35 0.00 2.46 -1.26 -4.90 115.29 112.15 1jbu s HIS 115 Ca 0.14 1.50 -0.28 0.00 0.47 0.00 0.00 55.06 56.89 1jbu s HIS 115 Cb -0.03 -3.02 -0.12 0.00 -0.13 0.00 0.00 32.58 29.28 1jbu s HIS 115 CO 0.04 -1.70 1.27 -1.91 -2.47 0.00 0.00 174.74 169.96 1jbu n GLU 116 N -3.45 2.05 -0.30 2.88 2.13 -1.26 -1.84 120.64 120.84 1jbu n GLU 116 Ca 0.09 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.63 1jbu n GLU 116 Cb 0.53 -2.31 0.00 0.00 0.27 0.00 0.00 31.44 29.93 1jbu n GLU 116 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1jbu n GLY 117 N 0.80 0.73 3.24 8.31 0.00 -1.26 -4.76 105.19 112.25 1jbu n GLY 117 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 1jbu n GLY 117 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jbu s TYR 118 N -2.66 1.20 -0.02 1.61 1.51 -0.76 -0.80 117.35 117.44 1jbu s TYR 118 Ca 0.00 -0.92 -0.05 0.00 -1.01 0.00 0.00 57.07 55.09 1jbu s TYR 118 Cb 0.00 -0.67 0.00 0.00 -0.11 0.00 0.00 41.96 41.19 1jbu s TYR 118 CO 0.00 -0.10 0.12 0.45 -1.11 0.00 0.00 175.55 174.91 1jbu s SER 119 N -3.16 -0.02 0.15 2.29 0.15 0.31 -4.69 113.70 108.74 1jbu s SER 119 Ca 0.20 -0.05 -0.30 0.00 0.70 0.00 0.00 55.95 56.50 1jbu s SER 119 Cb 0.05 0.22 -0.08 0.00 -1.71 0.00 0.00 66.02 64.51 1jbu s SER 119 CO 0.02 -0.23 1.23 -0.22 1.20 0.00 0.00 173.24 175.23 1jbu s LEU 120 N -0.82 4.42 0.82 3.45 2.96 -1.26 -0.98 118.68 127.28 1jbu s LEU 120 Ca -0.09 2.21 -0.07 0.00 -0.22 0.00 0.00 54.13 55.96 1jbu s LEU 120 Cb -0.05 -3.60 0.16 0.00 0.50 0.00 0.00 46.19 43.20 1jbu s LEU 120 CO 0.01 -0.43 1.14 -0.76 -1.32 0.00 0.00 176.35 174.98 1jbu s LEU 121 N 0.18 2.86 0.50 -0.68 1.43 -0.08 -4.94 118.68 117.94 1jbu s LEU 121 Ca 0.56 -0.08 0.15 0.00 -1.03 0.00 0.00 54.13 53.73 1jbu s LEU 121 Cb -0.33 -2.14 1.18 0.00 0.03 0.00 0.00 46.19 44.93 1jbu s LEU 121 CO 0.35 -2.23 2.11 0.00 0.23 0.00 0.00 176.35 176.80 1jbu h ALA 122 N -1.00 1.91 0.00 4.21 0.00 -1.97 -1.94 119.26 120.47 1jbu h ALA 122 Ca -0.40 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1jbu h ALA 122 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1jbu h ALA 122 CO 0.40 0.07 0.00 -0.40 0.00 0.00 0.00 179.25 179.32 1jbu n ASP 123 N -4.49 0.00 0.00 0.00 5.68 -1.26 -4.83 116.55 111.66 1jbu n ASP 123 Ca -0.03 0.25 0.00 0.00 -0.50 0.00 0.00 54.79 54.52 1jbu n ASP 123 Cb 0.12 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 39.77 1jbu n ASP 123 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jbu n GLY 124 N -0.63 0.50 0.00 6.12 0.00 -0.73 -4.75 105.19 105.71 1jbu n GLY 124 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1jbu n GLY 124 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jbu n VAL 125 N -2.17 0.00 -3.20 1.61 0.24 -1.26 -4.10 118.33 109.45 1jbu n VAL 125 Ca 0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.96 1jbu n VAL 125 Cb 0.06 -0.59 -0.06 0.00 -1.47 0.00 0.00 33.84 31.78 1jbu n VAL 125 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1jbu s SER 126 N -2.22 6.83 -0.06 -1.34 0.01 -1.26 -1.43 113.70 114.23 1jbu s SER 126 Ca 0.00 1.24 0.05 0.00 1.31 0.00 0.00 55.95 58.55 1jbu s SER 126 Cb 0.00 -2.35 -0.01 0.00 0.21 0.00 0.00 66.02 63.86 1jbu s SER 126 CO 0.00 -0.08 -0.23 0.00 0.41 0.00 0.00 173.24 173.34 1jbu s THR 128 N -0.25 2.02 0.39 0.00 -1.32 -0.16 -4.87 115.64 111.46 1jbu s THR 128 Ca -0.01 -1.32 -0.27 0.00 -1.21 0.00 0.00 61.69 58.88 1jbu s THR 128 Cb -0.13 -1.73 -0.10 0.00 -1.51 0.00 0.00 72.50 69.03 1jbu s THR 128 CO 0.03 0.35 1.37 -2.84 -2.21 0.00 0.00 174.62 171.31 1jbu s PRO 129 N -1.18 4.05 0.00 7.08 0.02 -1.26 -0.53 135.00 143.18 1jbu s PRO 129 Ca 0.11 2.32 0.06 0.00 0.02 0.00 0.00 61.00 63.50 1jbu s PRO 129 Cb -0.10 -2.87 0.13 0.00 0.02 0.00 0.00 34.50 31.69 1jbu s PRO 129 CO 0.02 -0.48 1.01 0.25 -0.33 0.00 0.00 177.00 177.47 1jbu n THR 130 N 0.32 0.71 -4.19 0.99 -2.24 0.02 -4.83 114.28 105.06 1jbu n THR 130 Ca 0.02 -0.86 -0.12 0.00 -2.27 0.00 0.00 64.05 60.83 1jbu n THR 130 Cb 0.42 0.68 -0.10 0.00 -2.10 0.00 0.00 70.33 69.23 1jbu n THR 130 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1jbu s VAL 131 N -0.86 0.81 0.26 2.28 -7.23 -1.24 -4.99 120.40 109.44 1jbu s VAL 131 Ca 0.11 -1.97 0.02 0.00 -1.81 0.00 0.00 61.98 58.33 1jbu s VAL 131 Cb 0.06 -1.75 0.04 0.00 0.56 0.00 0.00 36.38 35.30 1jbu s VAL 131 CO 0.08 -0.82 1.68 -0.08 -0.31 0.00 0.00 175.10 175.65 1jbu h GLU 132 N 2.91 0.46 -2.44 4.82 4.81 -1.94 -3.34 114.58 119.85 1jbu h GLU 132 Ca -0.36 -0.20 -0.60 0.00 -0.13 0.00 0.00 59.36 58.07 1jbu h GLU 132 Cb 1.17 -0.01 -0.41 0.00 0.63 0.00 0.00 28.75 30.13 1jbu h GLU 132 CO 0.64 0.74 -0.71 0.66 -0.73 0.00 0.00 179.01 179.61 1jbu n TYR 133 N -4.07 2.36 -2.22 0.92 4.01 -1.26 -5.07 117.16 111.83 1jbu n TYR 133 Ca -0.01 -4.01 -0.35 0.00 -0.16 0.00 0.00 57.90 53.37 1jbu n TYR 133 Cb 0.45 -0.45 0.01 0.00 -0.31 0.00 0.00 39.34 39.04 1jbu n TYR 133 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1jbu s PRO 134 N -1.69 3.31 0.61 -0.72 0.04 -1.26 -4.97 135.00 130.33 1jbu s PRO 134 Ca 0.34 1.66 -0.19 0.00 0.04 0.00 0.00 61.00 62.85 1jbu s PRO 134 Cb 0.08 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 1jbu s PRO 134 CO -0.10 -0.89 1.30 0.00 0.04 0.00 0.00 177.00 177.35 1jbu n GLY 136 N 0.79 0.52 3.09 0.00 0.00 -1.26 -5.01 105.19 103.32 1jbu n GLY 136 Ca 0.14 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 1jbu n GLY 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jbu s LYS 137 N -1.28 1.70 -0.41 1.61 1.02 -1.23 -5.10 119.74 116.05 1jbu s LYS 137 Ca 0.00 -0.52 -0.25 0.00 0.02 0.00 0.00 55.97 55.22 1jbu s LYS 137 Cb 0.00 -1.45 0.02 0.00 -0.52 0.00 0.00 37.83 35.88 1jbu s LYS 137 CO 0.00 0.15 0.89 0.42 -0.92 0.00 0.00 175.35 175.90 1jbu s ILE 138 N 0.27 4.57 0.18 2.17 1.01 -1.26 -4.90 121.20 123.24 1jbu s ILE 138 Ca -0.08 0.92 -0.13 0.00 0.00 0.00 0.00 60.65 61.36 1jbu s ILE 138 Cb -0.13 -4.35 0.10 0.00 0.01 0.00 0.00 42.46 38.09 1jbu s ILE 138 CO 0.03 -0.65 1.73 -0.65 0.00 0.00 0.00 174.94 175.39 1jbu h PRO 139 N 8.75 0.26 -0.24 2.79 0.11 -1.97 -3.15 132.00 138.55 1jbu h PRO 139 Ca -0.24 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.92 1jbu h PRO 139 Cb 1.08 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 32.06 1jbu h PRO 139 CO 0.99 0.17 -0.30 0.82 -0.21 0.00 0.00 178.00 179.47 1jbu h ILE 140 N 0.26 0.30 0.00 4.15 1.08 -1.93 1.32 117.51 122.70 1jbu h ILE 140 Ca 0.24 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.71 1jbu h ILE 140 Cb 0.30 0.30 0.00 0.00 -3.07 0.00 0.00 36.82 34.36 1jbu h ILE 140 CO -0.30 0.00 0.16 -0.07 -0.69 0.00 0.00 178.15 177.26 1jbu h LEU 141 N -0.31 0.00 -0.49 1.44 3.38 -1.98 -1.60 115.31 115.75 1jbu h LEU 141 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1jbu h LEU 141 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1jbu h LEU 141 CO -0.42 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.49 1jbu n GLU 142 N -2.73 2.93 0.00 1.13 1.02 -0.33 -5.13 120.64 117.53 1jbu n GLU 142 Ca -0.02 -0.24 0.00 0.00 -0.02 0.00 0.00 57.16 56.88 1jbu n GLU 142 Cb 0.21 -0.74 0.00 0.00 -0.02 0.00 0.00 31.44 30.89 1jbu n GLU 142 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48