#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 -8.65 -4.35 1.61 3.41 -1.26 -4.78 113.62 99.60 1l3e n SER 2 Ca 0.00 1.08 -0.37 0.00 -0.26 0.00 0.00 58.87 59.33 1l3e n SER 2 Cb 0.00 -4.73 -0.13 0.00 -0.26 0.00 0.00 64.21 59.09 1l3e n SER 2 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1l3e s MET 3 N -3.38 3.16 -0.32 4.33 -1.94 -1.26 -4.80 119.30 115.09 1l3e s MET 3 Ca 0.00 -0.81 -0.02 0.00 -1.71 0.00 0.00 55.69 53.16 1l3e s MET 3 Cb 0.00 -3.33 0.00 0.00 2.01 0.00 0.00 34.83 33.51 1l3e s MET 3 CO 0.00 -0.40 0.07 -0.25 -0.01 0.00 0.00 175.02 174.43 1l3e n ASP 4 N 4.86 -8.03 -4.75 3.03 9.92 -1.26 -4.94 116.55 115.38 1l3e n ASP 4 Ca -0.15 1.33 -0.36 0.00 -0.53 0.00 0.00 54.79 55.08 1l3e n ASP 4 Cb 0.48 -5.31 0.03 0.00 -0.64 0.00 0.00 41.12 35.69 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 -1.74 2.98 -0.28 -1.24 2.12 -1.26 -5.04 118.70 114.24 1l3e s GLU 5 Ca 0.03 1.84 -0.22 0.00 0.36 0.00 0.00 54.97 56.98 1l3e s GLU 5 Cb -0.01 -1.94 0.13 0.00 0.26 0.00 0.00 34.13 32.57 1l3e s GLU 5 CO 0.78 -1.20 1.00 -1.54 -0.54 0.00 0.00 175.26 173.75 1l3e s SER 6 N -1.57 -0.49 0.00 -1.70 1.04 -1.26 -5.12 113.70 104.60 1l3e s SER 6 Ca 0.77 0.88 0.00 0.00 0.48 0.00 0.00 55.95 58.08 1l3e s SER 6 Cb -0.31 1.01 0.00 0.00 0.10 0.00 0.00 66.02 66.82 1l3e s SER 6 CO 0.33 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.02 1l3e n GLY 7 N 2.80 0.07 3.70 7.32 0.00 -1.26 -5.02 105.19 112.80 1l3e n GLY 7 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.12 4.37 -0.55 0.99 2.96 -1.26 -4.85 118.68 118.21 1l3e s LEU 8 Ca 0.00 2.53 -0.32 0.00 -0.22 0.00 0.00 54.13 56.12 1l3e s LEU 8 Cb 0.00 -3.58 -0.13 0.00 0.50 0.00 0.00 46.19 42.98 1l3e s LEU 8 CO 0.00 -0.85 2.38 -2.65 -1.32 0.00 0.00 176.35 173.91 1l3e n PRO 9 N 4.85 0.75 -3.62 0.98 -0.02 -1.26 -4.90 135.00 131.78 1l3e n PRO 9 Ca 0.15 0.13 -0.37 0.00 -2.02 0.00 0.00 63.50 61.39 1l3e n PRO 9 Cb 0.40 -2.44 -0.09 0.00 -0.02 0.00 0.00 33.50 31.35 1l3e n PRO 9 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1l3e s GLN 10 N 7.44 4.07 0.64 -0.52 -2.07 -1.26 -5.09 119.66 122.88 1l3e s GLN 10 Ca 1.14 -0.22 -0.10 0.00 -1.82 0.00 0.00 55.36 54.36 1l3e s GLN 10 Cb -0.81 -3.55 -0.01 0.00 -1.09 0.00 0.00 33.01 27.55 1l3e s GLN 10 CO 0.44 0.02 1.02 -0.51 -1.32 0.00 0.00 175.29 174.94 1l3e s LEU 11 N 1.17 3.11 0.19 2.60 1.43 -1.26 -5.07 118.68 120.86 1l3e s LEU 11 Ca 0.09 1.14 -0.07 0.00 -1.03 0.00 0.00 54.13 54.26 1l3e s LEU 11 Cb -0.14 -4.03 -0.06 0.00 0.03 0.00 0.00 46.19 41.99 1l3e s LEU 11 CO 0.06 -1.09 0.47 -0.89 0.23 0.00 0.00 176.35 175.12 1l3e s THR 12 N -3.20 5.05 0.64 5.49 2.01 -1.26 -4.95 115.64 119.42 1l3e s THR 12 Ca 0.56 0.23 0.26 0.00 0.31 0.00 0.00 61.69 63.04 1l3e s THR 12 Cb -0.11 -3.63 0.30 0.00 0.01 0.00 0.00 72.50 69.07 1l3e s THR 12 CO 0.51 -0.04 1.76 -1.28 -0.69 0.00 0.00 174.62 174.88 1l3e h SER 13 N 2.61 0.00 0.01 3.53 0.87 -2.00 -1.23 113.55 117.33 1l3e h SER 13 Ca -0.46 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 59.75 1l3e h SER 13 Cb 1.17 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.08 1l3e h SER 13 CO 0.71 0.00 -1.92 0.00 -0.53 0.00 0.00 176.83 175.09 1l3e n TYR 14 N -3.14 0.54 0.05 2.24 9.36 -1.26 -3.17 117.16 121.79 1l3e n TYR 14 Ca 0.03 0.22 0.21 0.00 3.32 0.00 0.00 57.90 61.69 1l3e n TYR 14 Cb 0.62 -1.06 0.73 0.00 -0.63 0.00 0.00 39.34 39.01 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 -0.90 0.00 0.03 2.98 5.19 -1.67 0.43 116.42 122.47 1l3e h ASP 15 Ca -0.52 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 55.71 1l3e h ASP 15 Cb 1.51 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.00 1l3e h ASP 15 CO -0.29 0.00 -0.95 0.00 -3.12 0.00 0.00 179.24 174.88 1l3e h GLU 17 N -0.84 0.48 -0.33 0.00 4.22 -1.14 0.72 114.58 117.69 1l3e h GLU 17 Ca -0.25 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.15 1l3e h GLU 17 Cb 1.32 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1l3e h GLU 17 CO -0.09 0.32 0.16 0.28 -2.18 0.00 0.00 179.01 177.49 1l3e h VAL 18 N 0.50 1.16 -0.03 0.32 2.07 -0.37 0.27 116.25 120.16 1l3e h VAL 18 Ca 0.19 -0.44 -0.14 0.00 0.82 0.00 0.00 66.70 67.12 1l3e h VAL 18 Cb 0.05 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1l3e h VAL 18 CO -0.11 0.16 -0.62 -1.13 0.02 0.00 0.00 177.57 175.90 1l3e h ASN 19 N 0.40 0.12 -0.93 0.57 -0.73 -1.38 -3.41 115.58 110.21 1l3e h ASN 19 Ca 0.11 -0.07 -0.07 0.00 1.87 0.00 0.00 56.30 58.14 1l3e h ASN 19 Cb 0.11 -0.04 -0.18 0.00 0.27 0.00 0.00 38.32 38.49 1l3e h ASN 19 CO -0.01 0.71 -0.43 0.00 -0.37 0.00 0.00 177.43 177.32 1l3e s ALA 20 N -3.67 -2.48 0.66 1.57 0.00 0.25 -5.08 121.76 113.01 1l3e s ALA 20 Ca -0.02 0.12 -0.03 0.00 0.00 0.00 0.00 51.96 52.02 1l3e s ALA 20 Cb 0.12 -2.76 0.06 0.00 0.00 0.00 0.00 23.12 20.55 1l3e s ALA 20 CO 0.78 -2.25 0.94 -1.25 0.00 0.00 0.00 175.76 173.98 1l3e s PRO 21 N 1.57 2.20 -0.01 0.00 0.04 0.94 -4.29 135.00 135.45 1l3e s PRO 21 Ca 0.20 -0.56 0.21 0.00 0.04 0.00 0.00 61.00 60.88 1l3e s PRO 21 Cb -0.02 -2.29 -0.24 0.00 0.04 0.00 0.00 34.50 31.98 1l3e s PRO 21 CO -0.07 -1.12 0.80 -0.89 0.04 0.00 0.00 177.00 175.76 1l3e n ILE 22 N -2.73 0.00 0.00 0.56 5.41 -1.26 -5.00 119.36 116.34 1l3e n ILE 22 Ca 0.09 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.74 1l3e n ILE 22 Cb 0.60 0.82 0.00 0.00 -0.71 0.00 0.00 39.64 40.35 1l3e n ILE 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1l3e n GLN 23 N -1.62 0.00 -0.76 0.38 6.02 -1.26 -4.89 117.38 115.25 1l3e n GLN 23 Ca 0.02 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.79 1l3e n GLN 23 Cb 0.36 0.00 0.19 0.00 1.02 0.00 0.00 30.24 31.81 1l3e n GLN 23 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1l3e n GLY 24 N 0.00 -2.71 0.33 1.08 0.00 -1.26 -4.95 105.19 97.68 1l3e n GLY 24 Ca 0.00 -1.48 -0.14 0.00 0.00 0.00 0.00 46.02 44.40 1l3e n GLY 24 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1l3e h SER 25 N -2.29 -0.81 -0.96 1.61 0.02 -2.06 -3.46 113.55 105.59 1l3e h SER 25 Ca -0.30 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1l3e h SER 25 Cb 0.93 0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1l3e h SER 25 CO 0.20 -0.42 0.00 -1.14 -1.14 0.00 0.00 176.83 174.33 1l3e n ARG 26 N -5.41 0.04 -4.42 3.45 0.63 -1.26 -5.05 116.66 104.63 1l3e n ARG 26 Ca -0.09 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.59 1l3e n ARG 26 Cb 0.32 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.14 1l3e n ARG 26 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1l3e s ASN 27 N 0.05 4.03 0.00 6.15 3.84 -1.26 -4.95 114.94 122.80 1l3e s ASN 27 Ca 0.00 -1.11 -0.25 0.00 0.21 0.00 0.00 52.86 51.71 1l3e s ASN 27 Cb 0.00 -0.45 -0.18 0.00 -0.55 0.00 0.00 41.25 40.07 1l3e s ASN 27 CO 0.00 -0.28 1.31 -0.07 -2.79 0.00 0.00 177.10 175.27 1l3e h LEU 28 N 1.83 -0.14 -9.63 3.21 3.38 -2.02 -3.43 115.31 108.52 1l3e h LEU 28 Ca -0.43 -0.30 -0.57 0.00 0.09 0.00 0.00 57.88 56.68 1l3e h LEU 28 Cb 1.25 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.99 1l3e h LEU 28 CO 0.70 0.24 -0.03 -1.48 0.09 0.00 0.00 178.44 177.95 1l3e s LEU 29 N -9.46 4.49 0.00 1.67 2.34 -1.26 -4.92 118.68 111.53 1l3e s LEU 29 Ca -0.15 1.21 0.00 0.00 0.06 0.00 0.00 54.13 55.26 1l3e s LEU 29 Cb 0.02 -2.89 0.00 0.00 -0.56 0.00 0.00 46.19 42.76 1l3e s LEU 29 CO 0.62 0.22 0.00 1.67 -1.06 0.00 0.00 176.35 177.79 1l3e n GLN 30 N 2.08 0.00 0.00 1.48 7.27 -1.26 -4.71 117.38 122.24 1l3e n GLN 30 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.98 1l3e n GLN 30 Cb 0.51 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.16 1l3e n GLN 30 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1l3e n GLY 31 N 1.32 1.69 0.14 1.69 0.00 -1.26 -4.02 105.19 104.75 1l3e n GLY 31 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1l3e n GLY 31 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1l3e h GLU 32 N 0.00 0.00 0.00 1.61 4.11 -2.01 -3.14 114.58 115.16 1l3e h GLU 32 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1l3e h GLU 32 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1l3e h GLU 32 CO 0.00 0.51 -0.10 0.93 0.07 0.00 0.00 179.01 180.42 1l3e h GLU 33 N 0.00 0.00 -0.18 1.06 5.08 -1.93 -2.43 114.58 116.18 1l3e h GLU 33 Ca -0.01 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 1l3e h GLU 33 Cb 1.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 1l3e h GLU 33 CO 0.07 0.10 -0.29 -0.07 -1.00 0.00 0.00 179.01 177.82 1l3e h LEU 34 N 0.00 0.35 0.21 1.33 3.38 -1.68 0.92 115.31 119.82 1l3e h LEU 34 Ca -0.00 -0.12 -0.32 0.00 0.09 0.00 0.00 57.88 57.53 1l3e h LEU 34 Cb 0.57 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 41.25 1l3e h LEU 34 CO 0.01 0.64 -1.47 -0.07 0.09 0.00 0.00 178.44 177.64 1l3e h LEU 35 N 0.31 0.68 -0.51 1.67 3.38 -1.60 0.17 115.31 119.41 1l3e h LEU 35 Ca 0.04 -0.77 -0.17 0.00 0.09 0.00 0.00 57.88 57.07 1l3e h LEU 35 Cb 0.67 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1l3e h LEU 35 CO 0.05 1.62 -0.67 0.03 0.09 0.00 0.00 178.44 179.56 1l3e h ARG 36 N 0.12 0.34 0.00 1.13 -0.00 -1.30 -3.01 114.38 111.67 1l3e h ARG 36 Ca -0.24 -0.26 -0.00 0.00 -0.50 0.00 0.00 59.98 58.98 1l3e h ARG 36 Cb 2.10 0.05 0.00 0.00 0.00 0.00 0.00 29.97 32.12 1l3e h ARG 36 CO 0.24 0.89 -0.00 0.00 0.00 0.00 0.00 179.97 181.09 1l3e h ALA 37 N 1.05 -0.00 -0.65 0.04 0.00 0.82 -3.25 119.26 117.26 1l3e h ALA 37 Ca -0.02 -0.45 0.19 0.00 0.00 0.00 0.00 54.91 54.63 1l3e h ALA 37 Cb 1.21 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1l3e h ALA 37 CO 0.11 -0.04 0.66 -0.07 0.00 0.00 0.00 179.25 179.90 1l3e h LEU 38 N -0.92 0.00 -4.21 0.00 3.38 -0.72 0.69 115.31 113.52 1l3e h LEU 38 Ca -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1l3e h LEU 38 Cb 0.90 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.44 1l3e h LEU 38 CO 0.00 0.00 0.65 -0.67 0.09 0.00 0.00 178.44 178.51 1l3e n ASP 39 N -3.70 6.98 -2.68 -0.43 -0.08 -1.14 -4.33 116.55 111.17 1l3e n ASP 39 Ca 0.13 -3.43 -0.08 0.00 -1.51 0.00 0.00 54.79 49.90 1l3e n ASP 39 Cb 0.89 -1.09 0.03 0.00 2.34 0.00 0.00 41.12 43.29 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 0.03 1.50 -2.54 -0.67 -0.06 0.23 -5.02 117.38 110.85 1l3e n GLN 40 Ca 0.48 -3.42 -0.43 0.00 -2.00 0.00 0.00 57.00 51.64 1l3e n GLN 40 Cb 0.52 -1.43 -0.02 0.00 -4.06 0.00 0.00 30.24 25.25 1l3e n GLN 40 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1l3e s VAL 41 N -3.49 4.07 0.00 1.69 0.11 -1.26 -5.12 120.40 116.40 1l3e s VAL 41 Ca 0.29 1.04 0.00 0.00 -2.93 0.00 0.00 61.98 60.38 1l3e s VAL 41 Cb 0.42 -4.57 0.00 0.00 -1.53 0.00 0.00 36.38 30.70 1l3e s VAL 41 CO 0.00 -1.08 0.00 -0.46 -3.33 0.00 0.00 175.10 170.23