#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r1f n PHE 2 N 0.00 0.00 0.16 -1.42 7.35 -1.23 -4.74 117.46 117.58 1r1f n PHE 2 Ca 0.00 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.63 1r1f n PHE 2 Cb 0.00 -1.11 -0.03 0.00 0.35 0.00 0.00 39.48 38.69 1r1f n PHE 2 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1r1f n GLY 4 N -0.28 0.18 3.65 0.00 0.00 -1.26 -4.87 105.19 102.61 1r1f n GLY 4 Ca -0.05 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1r1f n GLY 4 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r1f s GLU 5 N 0.00 -0.95 -0.03 1.61 0.41 -1.26 -4.88 118.70 113.60 1r1f s GLU 5 Ca 0.00 -0.15 -0.01 0.00 -0.41 0.00 0.00 54.97 54.40 1r1f s GLU 5 Cb 0.00 -1.64 0.03 0.00 -1.78 0.00 0.00 34.13 30.75 1r1f s GLU 5 CO 0.00 -3.52 0.05 0.95 -0.49 0.00 0.00 175.26 172.25 1r1f s THR 6 N -3.17 -0.07 -1.53 3.63 -4.23 -1.26 -1.97 115.64 107.04 1r1f s THR 6 Ca 0.72 0.24 -0.10 0.00 -1.18 0.00 0.00 61.69 61.36 1r1f s THR 6 Cb -0.08 -0.11 -0.02 0.00 1.34 0.00 0.00 72.50 73.63 1r1f s THR 6 CO 0.55 0.10 2.67 0.00 -0.54 0.00 0.00 174.62 177.41 1r1f n ARG 8 N 3.84 0.00 -0.43 0.00 1.85 -1.26 -3.45 116.66 117.20 1r1f n ARG 8 Ca 0.69 0.00 -0.06 0.00 -1.00 0.00 0.00 57.85 57.48 1r1f n ARG 8 Cb 0.27 0.00 0.09 0.00 -1.05 0.00 0.00 32.46 31.78 1r1f n ARG 8 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1r1f n VAL 9 N 0.00 1.62 -2.69 8.89 0.31 -1.26 -3.86 118.33 121.34 1r1f n VAL 9 Ca 0.00 -0.68 -0.05 0.00 -0.01 0.00 0.00 64.34 63.60 1r1f n VAL 9 Cb 0.00 -0.69 0.06 0.00 -0.91 0.00 0.00 33.84 32.30 1r1f n VAL 9 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1r1f n ILE 10 N -0.02 0.00 0.00 2.52 -5.35 -1.26 -5.17 119.36 110.07 1r1f n ILE 10 Ca 0.19 -0.87 0.00 0.00 -0.27 0.00 0.00 62.75 61.81 1r1f n ILE 10 Cb 0.86 1.15 0.00 0.00 -1.74 0.00 0.00 39.64 39.90 1r1f n ILE 10 CO 0.00 0.00 0.00 -2.65 -1.76 0.00 0.00 176.55 172.14 1r1f n PRO 11 N 1.72 2.00 -3.90 6.28 -0.02 -1.25 -4.70 135.00 135.13 1r1f n PRO 11 Ca 0.05 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.18 1r1f n PRO 11 Cb 0.67 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 34.17 1r1f n PRO 11 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1r1f n VAL 12 N -0.02 -3.53 -0.65 -1.45 0.24 -1.26 -4.43 118.33 107.23 1r1f n VAL 12 Ca 0.00 -0.41 -0.08 0.00 -2.04 0.00 0.00 64.34 61.80 1r1f n VAL 12 Cb 0.00 -2.90 -0.09 0.00 -1.47 0.00 0.00 33.84 29.38 1r1f n VAL 12 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1r1f h THR 14 N 3.18 0.89 -0.07 0.00 2.02 -1.91 -1.49 112.91 115.54 1r1f h THR 14 Ca 0.02 -2.13 -0.04 0.00 0.77 0.00 0.00 66.41 65.02 1r1f h THR 14 Cb 0.50 2.35 0.00 0.00 -1.74 0.00 0.00 68.15 69.26 1r1f h THR 14 CO 0.70 0.49 -0.13 0.22 0.37 0.00 0.00 175.52 177.17 1r1f h TYR 15 N 0.00 0.27 -0.31 3.16 3.20 -1.97 -3.04 116.97 118.28 1r1f h TYR 15 Ca -0.00 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.77 1r1f h TYR 15 Cb 1.31 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.53 1r1f h TYR 15 CO 0.00 0.72 0.00 -1.13 -1.64 0.00 0.00 178.16 176.11 1r1f n SER 16 N -4.63 1.99 0.24 -2.11 3.41 -1.25 -4.10 113.62 107.18 1r1f n SER 16 Ca -0.08 -1.89 0.11 0.00 -0.26 0.00 0.00 58.87 56.75 1r1f n SER 16 Cb 0.36 -0.20 0.61 0.00 -0.26 0.00 0.00 64.21 64.72 1r1f n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r1f h ALA 17 N 3.88 1.21 -0.83 7.33 0.00 -1.14 -2.82 119.26 126.89 1r1f h ALA 17 Ca 0.00 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 54.86 1r1f h ALA 17 Cb 0.53 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1r1f h ALA 17 CO 0.00 0.22 0.54 0.00 0.00 0.00 0.00 179.25 180.01 1r1f h ALA 18 N 1.82 1.81 0.00 0.00 0.00 -1.76 0.22 119.26 121.35 1r1f h ALA 18 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1r1f h ALA 18 Cb 0.49 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1r1f h ALA 18 CO 0.02 -0.00 -0.04 -0.07 0.00 0.00 0.00 179.25 179.16 1r1f h LEU 19 N 0.70 0.00 0.00 0.00 4.07 -1.83 -3.46 115.31 114.79 1r1f h LEU 19 Ca 0.40 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.36 1r1f h LEU 19 Cb 0.57 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.31 1r1f h LEU 19 CO -0.16 0.04 0.00 0.61 -1.08 0.00 0.00 178.44 177.85 1r1f n GLY 20 N 0.83 0.86 3.74 0.83 0.00 0.78 -4.88 105.19 107.35 1r1f n GLY 20 Ca 0.03 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1r1f n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r1f s THR 22 N 0.45 0.13 0.00 0.00 -4.23 -1.13 -4.52 115.64 106.33 1r1f s THR 22 Ca 0.65 -0.03 0.00 0.00 -1.18 0.00 0.00 61.69 61.14 1r1f s THR 22 Cb -0.45 -0.14 0.00 0.00 1.34 0.00 0.00 72.50 73.25 1r1f s THR 22 CO 0.40 0.06 0.00 0.00 -0.54 0.00 0.00 174.62 174.54 1r1f n ASP 24 N 0.00 0.01 -2.36 0.00 2.03 -1.26 -4.73 116.55 110.24 1r1f n ASP 24 Ca 0.00 0.13 -0.02 0.00 0.52 0.00 0.00 54.79 55.42 1r1f n ASP 24 Cb 0.00 0.09 -0.02 0.00 -0.72 0.00 0.00 41.12 40.47 1r1f n ASP 24 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1r1f n ASP 25 N -2.86 -5.81 -2.70 1.67 2.03 -1.26 -5.05 116.55 102.58 1r1f n ASP 25 Ca 0.00 1.57 -0.06 0.00 0.52 0.00 0.00 54.79 56.82 1r1f n ASP 25 Cb 0.06 -4.97 0.10 0.00 -0.72 0.00 0.00 41.12 35.59 1r1f n ASP 25 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1r1f n ARG 26 N 1.67 0.57 -2.57 -0.67 3.00 -1.26 -4.89 116.66 112.52 1r1f n ARG 26 Ca -0.15 -1.31 -0.04 0.00 -0.01 0.00 0.00 57.85 56.34 1r1f n ARG 26 Cb 0.24 -0.62 0.01 0.00 0.00 0.00 0.00 32.46 32.09 1r1f n ARG 26 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1r1f n SER 27 N 0.56 -2.56 -0.47 0.55 2.88 -1.26 -4.84 113.62 108.48 1r1f n SER 27 Ca 0.01 -0.10 0.06 0.00 -1.33 0.00 0.00 58.87 57.51 1r1f n SER 27 Cb 0.72 -1.29 -0.02 0.00 -0.75 0.00 0.00 64.21 62.87 1r1f n SER 27 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1r1f n ASP 28 N 0.15 -2.80 0.00 -3.46 2.03 -1.22 -5.00 116.55 106.24 1r1f n ASP 28 Ca -0.01 0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.61 1r1f n ASP 28 Cb 0.52 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.42 1r1f n ASP 28 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1r1f n GLY 29 N -2.94 -2.62 0.00 0.27 0.00 -1.26 -4.71 105.19 93.93 1r1f n GLY 29 Ca -0.01 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.85 1r1f n GLY 29 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1r1f n LEU 30 N 0.00 0.00 -4.76 0.99 7.94 -1.26 -4.94 117.00 114.97 1r1f n LEU 30 Ca 0.00 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.50 1r1f n LEU 30 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 1r1f n LEU 30 CO 0.00 0.00 0.82 0.00 -1.11 0.00 0.00 177.39 177.10 1r1f s LYS 32 N -1.40 3.56 0.00 0.00 -0.14 -0.79 -0.09 119.74 120.89 1r1f s LYS 32 Ca 0.45 -0.21 0.00 0.00 -1.36 0.00 0.00 55.97 54.85 1r1f s LYS 32 Cb -0.33 -2.86 0.00 0.00 -1.68 0.00 0.00 37.83 32.97 1r1f s LYS 32 CO 0.42 0.45 0.00 -2.13 -0.76 0.00 0.00 175.35 173.33 1r1f n ARG 33 N -0.20 2.22 -3.80 1.68 0.63 -1.26 -2.84 116.66 113.08 1r1f n ARG 33 Ca -0.03 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.77 1r1f n ARG 33 Cb 0.52 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.34 1r1f n ARG 33 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1r1f s ASN 34 N -1.01 -0.14 0.00 6.15 -0.87 -1.26 -4.09 114.94 113.71 1r1f s ASN 34 Ca 0.00 0.10 0.00 0.00 -1.57 0.00 0.00 52.86 51.39 1r1f s ASN 34 Cb 0.00 0.34 0.00 0.00 -0.02 0.00 0.00 41.25 41.57 1r1f s ASN 34 CO 0.00 -0.34 0.00 0.61 -2.57 0.00 0.00 177.10 174.80 1r1f n GLY 35 N 1.73 1.28 2.43 0.66 0.00 -1.26 -4.13 105.19 105.91 1r1f n GLY 35 Ca -0.20 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.63 1r1f n GLY 35 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1r1f n ASP 36 N 2.23 0.28 0.00 1.61 -0.08 -1.26 -5.08 116.55 114.25 1r1f n ASP 36 Ca 0.00 -3.00 0.00 0.00 -1.51 0.00 0.00 54.79 50.28 1r1f n ASP 36 Cb 0.00 -0.07 0.00 0.00 2.34 0.00 0.00 41.12 43.39 1r1f n ASP 36 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67