#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l3e n SER 2 N 0.00 0.82 -0.13 1.61 2.88 -1.26 -4.74 113.62 112.79 1l3e n SER 2 Ca 0.00 0.13 -0.09 0.00 -1.33 0.00 0.00 58.87 57.58 1l3e n SER 2 Cb 0.00 -0.32 -0.01 0.00 -0.75 0.00 0.00 64.21 63.13 1l3e n SER 2 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1l3e h MET 3 N -0.35 0.60 -6.48 -1.46 1.85 -2.11 -3.43 114.93 103.54 1l3e h MET 3 Ca -0.20 -0.12 -0.61 0.00 -0.61 0.00 0.00 59.70 58.16 1l3e h MET 3 Cb 1.05 -0.09 0.08 0.00 0.43 0.00 0.00 31.60 33.06 1l3e h MET 3 CO -0.12 0.58 0.51 -0.25 -0.40 0.00 0.00 176.91 177.23 1l3e n ASP 4 N -4.63 2.27 -4.75 1.39 9.92 -1.26 -4.98 116.55 114.52 1l3e n ASP 4 Ca -0.00 1.14 -0.31 0.00 -0.53 0.00 0.00 54.79 55.08 1l3e n ASP 4 Cb 0.16 -1.35 -0.07 0.00 -0.64 0.00 0.00 41.12 39.22 1l3e n ASP 4 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1l3e s GLU 5 N -0.25 2.87 0.00 -1.24 2.12 -1.26 -5.07 118.70 115.87 1l3e s GLU 5 Ca 0.71 -0.64 0.00 0.00 0.36 0.00 0.00 54.97 55.41 1l3e s GLU 5 Cb -0.73 -2.73 0.00 0.00 0.26 0.00 0.00 34.13 30.93 1l3e s GLU 5 CO 0.49 0.60 0.00 -1.13 -0.54 0.00 0.00 175.26 174.68 1l3e n SER 6 N 0.86 0.00 -0.11 -1.70 3.41 -1.26 -5.02 113.62 109.79 1l3e n SER 6 Ca -0.11 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.64 1l3e n SER 6 Cb 0.52 0.00 0.62 0.00 -0.26 0.00 0.00 64.21 65.09 1l3e n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1l3e n GLY 7 N -0.11 -0.94 3.72 5.00 0.00 -1.26 -4.88 105.19 106.71 1l3e n GLY 7 Ca 0.00 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 1l3e n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1l3e s LEU 8 N -2.47 4.37 -0.43 0.99 1.98 -1.26 -4.90 118.68 116.96 1l3e s LEU 8 Ca 0.29 2.61 -0.27 0.00 -2.89 0.00 0.00 54.13 53.87 1l3e s LEU 8 Cb 0.20 -3.60 -0.04 0.00 0.66 0.00 0.00 46.19 43.41 1l3e s LEU 8 CO 0.47 -0.80 2.08 -2.16 -1.89 0.00 0.00 176.35 174.05 1l3e s PRO 9 N 0.95 2.73 0.00 0.98 0.04 -1.26 -4.96 135.00 133.48 1l3e s PRO 9 Ca 0.68 1.33 -0.03 0.00 0.04 0.00 0.00 61.00 63.02 1l3e s PRO 9 Cb -0.43 -4.40 -0.04 0.00 0.04 0.00 0.00 34.50 29.67 1l3e s PRO 9 CO 0.33 -2.57 0.20 -1.14 0.04 0.00 0.00 177.00 173.85 1l3e s GLN 10 N 6.95 3.46 0.36 4.56 0.74 -1.26 -5.11 119.66 129.36 1l3e s GLN 10 Ca 0.86 -0.30 0.04 0.00 0.05 0.00 0.00 55.36 56.00 1l3e s GLN 10 Cb -0.20 -3.08 -0.05 0.00 1.10 0.00 0.00 33.01 30.77 1l3e s GLN 10 CO 0.28 0.66 0.08 -0.51 -0.55 0.00 0.00 175.29 175.25 1l3e s LEU 11 N -1.99 2.13 0.21 3.68 1.43 -1.26 -5.13 118.68 117.74 1l3e s LEU 11 Ca 0.28 -1.48 -0.11 0.00 -1.03 0.00 0.00 54.13 51.79 1l3e s LEU 11 Cb -0.13 -0.32 -0.07 0.00 0.03 0.00 0.00 46.19 45.70 1l3e s LEU 11 CO 0.19 -0.72 0.55 -0.89 0.23 0.00 0.00 176.35 175.72 1l3e s THR 12 N -3.25 4.91 0.59 5.49 2.01 -1.26 -4.89 115.64 119.24 1l3e s THR 12 Ca 0.31 0.58 0.30 0.00 0.31 0.00 0.00 61.69 63.19 1l3e s THR 12 Cb 0.07 -3.65 0.42 0.00 0.01 0.00 0.00 72.50 69.34 1l3e s THR 12 CO 0.15 0.02 1.69 0.77 -0.69 0.00 0.00 174.62 176.56 1l3e h SER 13 N 2.84 0.00 0.00 3.53 4.64 -2.01 0.17 113.55 122.72 1l3e h SER 13 Ca -0.47 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.61 1l3e h SER 13 Cb 1.18 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.23 1l3e h SER 13 CO 0.68 0.00 -1.77 0.00 -0.87 0.00 0.00 176.83 174.87 1l3e n TYR 14 N -3.62 0.02 -0.09 4.77 9.36 -1.26 -3.44 117.16 122.91 1l3e n TYR 14 Ca 0.16 0.01 0.26 0.00 3.32 0.00 0.00 57.90 61.65 1l3e n TYR 14 Cb 1.05 -0.76 0.69 0.00 -0.63 0.00 0.00 39.34 39.69 1l3e n TYR 14 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 1l3e h ASP 15 N -1.00 0.00 0.04 2.98 3.32 -1.82 0.73 116.42 120.67 1l3e h ASP 15 Ca -0.36 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.50 1l3e h ASP 15 Cb 1.31 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.84 1l3e h ASP 15 CO -0.22 0.00 -1.03 0.00 -1.72 0.00 0.00 179.24 176.28 1l3e h GLU 17 N -0.74 0.83 -0.51 0.00 4.22 -1.00 -1.15 114.58 116.23 1l3e h GLU 17 Ca -0.25 -0.10 -0.05 0.00 0.08 0.00 0.00 59.36 59.04 1l3e h GLU 17 Cb 1.40 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1l3e h GLU 17 CO -0.06 0.64 0.14 0.28 -2.18 0.00 0.00 179.01 177.83 1l3e h VAL 18 N 0.80 1.24 0.00 0.32 2.07 0.20 0.01 116.25 120.88 1l3e h VAL 18 Ca 0.21 -0.81 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 1l3e h VAL 18 Cb 0.06 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1l3e h VAL 18 CO -0.03 0.30 -0.26 -1.13 0.02 0.00 0.00 177.57 176.47 1l3e h ASN 19 N 0.70 0.00 -1.64 0.57 -0.73 -1.39 -3.38 115.58 109.71 1l3e h ASN 19 Ca 0.16 0.00 -0.34 0.00 1.87 0.00 0.00 56.30 57.99 1l3e h ASN 19 Cb 0.30 0.00 -0.26 0.00 0.27 0.00 0.00 38.32 38.63 1l3e h ASN 19 CO -0.00 0.26 -0.69 0.00 -0.37 0.00 0.00 177.43 176.62 1l3e s ALA 20 N -3.99 -0.60 0.71 1.57 0.00 -0.45 -5.09 121.76 113.90 1l3e s ALA 20 Ca -0.02 -1.21 -0.01 0.00 0.00 0.00 0.00 51.96 50.72 1l3e s ALA 20 Cb 0.13 -2.21 0.11 0.00 0.00 0.00 0.00 23.12 21.15 1l3e s ALA 20 CO 0.65 -2.13 0.98 -1.25 0.00 0.00 0.00 175.76 174.01 1l3e s PRO 21 N 0.72 1.78 -0.01 0.00 0.04 -0.04 -4.59 135.00 132.90 1l3e s PRO 21 Ca 0.28 -1.00 0.18 0.00 0.04 0.00 0.00 61.00 60.50 1l3e s PRO 21 Cb -0.01 -2.33 -0.24 0.00 0.04 0.00 0.00 34.50 31.96 1l3e s PRO 21 CO -0.10 -1.37 0.60 -0.89 0.04 0.00 0.00 177.00 175.28 1l3e n ILE 22 N -2.80 0.00 -1.90 0.56 -0.00 -1.26 -5.02 119.36 108.93 1l3e n ILE 22 Ca 0.14 -0.24 -0.03 0.00 -0.00 0.00 0.00 62.75 62.61 1l3e n ILE 22 Cb 0.60 0.56 0.02 0.00 -0.00 0.00 0.00 39.64 40.82 1l3e n ILE 22 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.55 178.22 1l3e n GLN 23 N -1.77 -0.51 -1.01 0.38 7.27 -1.26 -4.88 117.38 115.60 1l3e n GLN 23 Ca 0.00 0.21 0.00 0.00 0.07 0.00 0.00 57.00 57.28 1l3e n GLN 23 Cb 0.38 -2.49 0.00 0.00 2.41 0.00 0.00 30.24 30.54 1l3e n GLN 23 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1l3e n GLY 24 N -1.43 -3.89 2.04 1.69 0.00 -1.26 -5.02 105.19 97.32 1l3e n GLY 24 Ca -0.02 -0.92 -0.03 0.00 0.00 0.00 0.00 46.02 45.05 1l3e n GLY 24 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1l3e n SER 25 N -1.37 -1.30 -4.13 1.61 7.64 -1.26 -4.97 113.62 109.83 1l3e n SER 25 Ca 0.00 0.70 -0.35 0.00 1.01 0.00 0.00 58.87 60.23 1l3e n SER 25 Cb 0.10 -3.19 0.11 0.00 -1.01 0.00 0.00 64.21 60.23 1l3e n SER 25 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1l3e n ARG 26 N 0.88 -0.90 -2.69 1.43 3.00 -1.26 -4.94 116.66 112.18 1l3e n ARG 26 Ca -0.21 -0.25 -0.24 0.00 -0.01 0.00 0.00 57.85 57.13 1l3e n ARG 26 Cb 0.33 -1.37 0.03 0.00 0.00 0.00 0.00 32.46 31.44 1l3e n ARG 26 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1l3e s ASN 27 N -1.45 5.60 -0.08 0.55 3.84 -1.26 -5.05 114.94 117.08 1l3e s ASN 27 Ca 0.46 0.38 -0.13 0.00 0.21 0.00 0.00 52.86 53.79 1l3e s ASN 27 Cb -0.01 -1.45 -0.10 0.00 -0.55 0.00 0.00 41.25 39.14 1l3e s ASN 27 CO 0.65 -0.95 0.46 -0.07 -2.79 0.00 0.00 177.10 174.40 1l3e h LEU 28 N 0.10 -0.12 -9.70 3.21 3.38 -2.01 -3.45 115.31 106.72 1l3e h LEU 28 Ca -0.45 -0.26 -0.53 0.00 0.09 0.00 0.00 57.88 56.73 1l3e h LEU 28 Cb 1.27 0.03 0.05 0.00 0.09 0.00 0.00 40.66 42.09 1l3e h LEU 28 CO 0.58 0.47 0.73 -1.48 0.09 0.00 0.00 178.44 178.83 1l3e s LEU 29 N -8.70 4.39 0.00 1.67 2.34 -1.26 -4.86 118.68 112.27 1l3e s LEU 29 Ca -0.08 2.56 0.00 0.00 0.06 0.00 0.00 54.13 56.67 1l3e s LEU 29 Cb -0.00 -3.61 0.00 0.00 -0.56 0.00 0.00 46.19 42.01 1l3e s LEU 29 CO 0.28 -0.65 0.00 1.67 -1.06 0.00 0.00 176.35 176.59 1l3e n GLN 30 N 2.66 0.00 0.00 1.48 0.00 -1.26 -4.70 117.38 115.56 1l3e n GLN 30 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.07 1l3e n GLN 30 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.65 1l3e n GLN 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1l3e n GLY 31 N 0.62 0.97 0.25 1.69 0.00 -1.26 -4.28 105.19 103.17 1l3e n GLY 31 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1l3e n GLY 31 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1l3e h GLU 32 N 0.00 0.00 0.00 1.61 4.81 -1.99 -2.82 114.58 116.19 1l3e h GLU 32 Ca 0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1l3e h GLU 32 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1l3e h GLU 32 CO 0.00 0.08 -0.38 0.93 -0.73 0.00 0.00 179.01 178.91 1l3e h GLU 33 N 0.00 0.00 -0.51 1.92 4.39 -1.93 -2.39 114.58 116.07 1l3e h GLU 33 Ca -0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 1l3e h GLU 33 Cb 0.71 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.34 1l3e h GLU 33 CO 0.01 0.38 0.03 -0.07 -1.16 0.00 0.00 179.01 178.19 1l3e h LEU 34 N 0.00 0.79 0.14 1.33 3.38 -1.68 0.91 115.31 120.19 1l3e h LEU 34 Ca -0.00 -0.19 -0.30 0.00 0.09 0.00 0.00 57.88 57.48 1l3e h LEU 34 Cb 1.00 -0.21 0.03 0.00 0.09 0.00 0.00 40.66 41.57 1l3e h LEU 34 CO 0.05 0.84 -1.30 -0.07 0.09 0.00 0.00 178.44 178.06 1l3e h LEU 35 N 0.78 0.82 -0.88 1.67 3.38 -1.63 0.28 115.31 119.73 1l3e h LEU 35 Ca 0.15 -0.79 -0.12 0.00 0.09 0.00 0.00 57.88 57.22 1l3e h LEU 35 Cb 0.43 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1l3e h LEU 35 CO 0.02 1.60 -0.50 0.03 0.09 0.00 0.00 178.44 179.68 1l3e h ARG 36 N 0.23 0.15 0.00 1.13 -0.00 -1.22 -2.81 114.38 111.85 1l3e h ARG 36 Ca -0.20 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.98 59.19 1l3e h ARG 36 Cb 1.98 0.01 -0.00 0.00 0.00 0.00 0.00 29.97 31.95 1l3e h ARG 36 CO 0.24 0.62 -0.07 0.00 0.00 0.00 0.00 179.97 180.76 1l3e h ALA 37 N 1.37 0.01 -0.69 0.04 0.00 0.85 -3.31 119.26 117.53 1l3e h ALA 37 Ca 0.00 -0.36 0.20 0.00 0.00 0.00 0.00 54.91 54.75 1l3e h ALA 37 Cb 0.92 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1l3e h ALA 37 CO 0.07 0.04 0.68 -0.07 0.00 0.00 0.00 179.25 179.97 1l3e h LEU 38 N -1.00 0.00 -4.13 0.00 3.38 -0.49 0.50 115.31 113.56 1l3e h LEU 38 Ca -0.02 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.45 1l3e h LEU 38 Cb 0.66 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.22 1l3e h LEU 38 CO -0.01 0.00 0.57 -0.67 0.09 0.00 0.00 178.44 178.42 1l3e n ASP 39 N -3.73 6.83 -2.70 -0.43 -0.08 -1.06 -4.28 116.55 111.10 1l3e n ASP 39 Ca 0.14 -3.34 -0.07 0.00 -1.51 0.00 0.00 54.79 50.01 1l3e n ASP 39 Cb 0.92 -1.11 0.03 0.00 2.34 0.00 0.00 41.12 43.31 1l3e n ASP 39 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1l3e n GLN 40 N 0.20 1.45 -2.89 -0.67 7.27 0.16 -5.01 117.38 117.90 1l3e n GLN 40 Ca 0.46 -3.39 -0.33 0.00 0.07 0.00 0.00 57.00 53.81 1l3e n GLN 40 Cb 0.54 -1.41 -0.06 0.00 2.41 0.00 0.00 30.24 31.72 1l3e n GLN 40 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1l3e s VAL 41 N -3.45 4.51 0.00 1.69 0.11 -1.26 -5.12 120.40 116.89 1l3e s VAL 41 Ca 0.28 1.26 0.00 0.00 -2.93 0.00 0.00 61.98 60.59 1l3e s VAL 41 Cb 0.42 -3.62 0.00 0.00 -1.53 0.00 0.00 36.38 31.65 1l3e s VAL 41 CO 0.01 -0.32 0.00 0.59 -3.33 0.00 0.00 175.10 172.05