#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l3e s SER 2 N 0.00 2.45 0.16 1.61 1.04 -1.26 -5.12 113.70 112.58 1l3e s SER 2 Ca 0.00 -0.41 -0.28 0.00 0.48 0.00 0.00 55.95 55.73 1l3e s SER 2 Cb 0.00 -0.83 -0.07 0.00 0.10 0.00 0.00 66.02 65.22 1l3e s SER 2 CO 0.00 0.15 0.89 -0.04 0.98 0.00 0.00 173.24 175.22 1l3e s MET 3 N 0.15 4.70 0.20 4.02 1.00 -1.26 -4.75 119.30 123.37 1l3e s MET 3 Ca -0.08 1.35 0.00 0.00 0.00 0.00 0.00 55.69 56.96 1l3e s MET 3 Cb -0.14 -3.31 0.00 0.00 0.00 0.00 0.00 34.83 31.38 1l3e s MET 3 CO 0.04 0.42 0.00 -0.25 0.00 0.00 0.00 175.02 175.23 1l3e n ASP 4 N 2.04 -8.28 -4.78 3.03 9.92 -1.26 -4.95 116.55 112.27 1l3e n ASP 4 Ca -0.02 1.23 -0.32 0.00 -0.53 0.00 0.00 54.79 55.15 1l3e n ASP 4 Cb 0.48 -4.63 0.05 0.00 -0.64 0.00 0.00 41.12 36.39 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 -1.02 2.76 -0.45 -1.24 2.56 -1.26 -5.03 118.70 115.02 1l3e s GLU 5 Ca 0.00 1.26 0.02 0.00 0.00 0.00 0.00 54.97 56.25 1l3e s GLU 5 Cb 0.00 -1.95 0.13 0.00 2.00 0.00 0.00 34.13 34.31 1l3e s GLU 5 CO 0.00 -1.26 0.24 0.45 -0.56 0.00 0.00 175.26 174.13 1l3e s SER 6 N -2.95 3.78 0.00 -1.70 0.15 -1.26 -4.75 113.70 106.97 1l3e s SER 6 Ca 0.64 -2.67 0.00 0.00 0.70 0.00 0.00 55.95 54.62 1l3e s SER 6 Cb -0.18 -1.14 0.00 0.00 -1.71 0.00 0.00 66.02 62.99 1l3e s SER 6 CO 0.46 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1l3e n GLY 7 N 3.50 0.74 3.73 9.45 0.00 -1.26 -5.13 105.19 116.21 1l3e n GLY 7 Ca 0.08 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 4.37 -0.40 0.99 1.98 -1.26 -4.90 118.68 119.46 1l3e s LEU 8 Ca 0.00 2.64 -0.27 0.00 -2.89 0.00 0.00 54.13 53.61 1l3e s LEU 8 Cb 0.00 -3.61 -0.05 0.00 0.66 0.00 0.00 46.19 43.20 1l3e s LEU 8 CO 0.00 -0.78 2.16 -2.16 -1.89 0.00 0.00 176.35 173.68 1l3e s PRO 9 N 0.53 2.70 -0.28 0.98 0.04 -1.26 -4.94 135.00 132.77 1l3e s PRO 9 Ca 0.66 1.47 -0.14 0.00 0.04 0.00 0.00 61.00 63.02 1l3e s PRO 9 Cb -0.43 -4.42 -0.04 0.00 0.04 0.00 0.00 34.50 29.65 1l3e s PRO 9 CO 0.36 -2.60 0.35 1.14 0.04 0.00 0.00 177.00 176.29 1l3e s GLN 10 N 7.05 3.94 0.36 4.56 -2.07 -1.26 -5.07 119.66 127.17 1l3e s GLN 10 Ca 0.90 -0.08 -0.08 0.00 -1.82 0.00 0.00 55.36 54.28 1l3e s GLN 10 Cb -0.22 -3.68 -0.06 0.00 -1.09 0.00 0.00 33.01 27.96 1l3e s GLN 10 CO 0.29 -0.30 0.69 -0.51 -1.32 0.00 0.00 175.29 174.14 1l3e s LEU 11 N 2.02 3.91 0.27 2.60 1.43 -1.26 -5.08 118.68 122.58 1l3e s LEU 11 Ca 0.13 0.98 -0.14 0.00 -1.03 0.00 0.00 54.13 54.07 1l3e s LEU 11 Cb -0.16 -3.84 -0.08 0.00 0.03 0.00 0.00 46.19 42.14 1l3e s LEU 11 CO 0.10 -0.33 0.67 -0.89 0.23 0.00 0.00 176.35 176.14 1l3e s THR 12 N -2.27 4.74 0.64 5.49 2.01 -1.26 -4.94 115.64 120.05 1l3e s THR 12 Ca 0.49 0.86 0.28 0.00 0.31 0.00 0.00 61.69 63.63 1l3e s THR 12 Cb -0.10 -3.65 0.31 0.00 0.01 0.00 0.00 72.50 69.06 1l3e s THR 12 CO 0.31 -0.07 1.85 0.77 -0.69 0.00 0.00 174.62 176.78 1l3e h SER 13 N 2.58 0.00 0.01 3.53 4.64 -2.01 -1.35 113.55 120.95 1l3e h SER 13 Ca -0.48 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.44 1l3e h SER 13 Cb 1.18 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.20 1l3e h SER 13 CO 0.66 0.00 -2.45 0.00 -0.87 0.00 0.00 176.83 174.17 1l3e n TYR 14 N -3.16 0.09 0.01 4.77 9.36 -1.26 -3.87 117.16 123.10 1l3e n TYR 14 Ca 0.02 0.02 0.23 0.00 3.32 0.00 0.00 57.90 61.49 1l3e n TYR 14 Cb 0.53 -1.01 0.71 0.00 -0.63 0.00 0.00 39.34 38.94 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 -0.17 0.00 0.00 2.98 3.32 -1.64 0.60 116.42 121.50 1l3e h ASP 15 Ca -0.59 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.42 1l3e h ASP 15 Cb 1.85 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.40 1l3e h ASP 15 CO -0.14 0.00 -0.28 0.00 -1.72 0.00 0.00 179.24 177.10 1l3e h GLU 17 N -1.00 0.76 -0.81 0.00 4.22 -1.34 1.25 114.58 117.67 1l3e h GLU 17 Ca -0.07 -0.05 -0.03 0.00 0.08 0.00 0.00 59.36 59.30 1l3e h GLU 17 Cb 0.82 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 1l3e h GLU 17 CO -0.04 0.50 0.40 0.28 -2.18 0.00 0.00 179.01 177.97 1l3e h VAL 18 N 0.79 1.25 0.00 0.32 2.07 -0.02 0.17 116.25 120.84 1l3e h VAL 18 Ca 0.22 -0.69 -0.23 0.00 0.82 0.00 0.00 66.70 66.82 1l3e h VAL 18 Cb -0.08 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 29.87 1l3e h VAL 18 CO -0.05 0.30 -1.26 -1.13 0.02 0.00 0.00 177.57 175.44 1l3e h ASN 19 N 1.14 0.00 -0.90 0.57 -0.73 -1.29 -3.44 115.58 110.93 1l3e h ASN 19 Ca 0.28 0.00 -0.08 0.00 1.87 0.00 0.00 56.30 58.37 1l3e h ASN 19 Cb 0.11 0.00 -0.17 0.00 0.27 0.00 0.00 38.32 38.52 1l3e h ASN 19 CO -0.04 0.91 -0.43 0.00 -0.37 0.00 0.00 177.43 177.50 1l3e s ALA 20 N -2.71 -2.52 0.65 1.57 0.00 0.43 -5.07 121.76 114.10 1l3e s ALA 20 Ca -0.01 0.03 -0.00 0.00 0.00 0.00 0.00 51.96 51.97 1l3e s ALA 20 Cb 0.09 -2.76 0.08 0.00 0.00 0.00 0.00 23.12 20.53 1l3e s ALA 20 CO 0.81 -2.27 0.91 -1.25 0.00 0.00 0.00 175.76 173.96 1l3e s PRO 21 N 1.37 2.07 0.11 0.00 0.04 0.03 -4.20 135.00 134.42 1l3e s PRO 21 Ca 0.23 -0.93 0.25 0.00 0.04 0.00 0.00 61.00 60.59 1l3e s PRO 21 Cb -0.01 -2.39 0.53 0.00 0.04 0.00 0.00 34.50 32.68 1l3e s PRO 21 CO -0.07 -1.13 1.47 -0.89 0.04 0.00 0.00 177.00 176.42 1l3e n ILE 22 N -2.64 0.32 -2.17 0.56 -0.00 -1.26 -4.98 119.36 109.18 1l3e n ILE 22 Ca 0.12 -0.21 -0.02 0.00 -0.00 0.00 0.00 62.75 62.63 1l3e n ILE 22 Cb 0.60 -0.19 0.01 0.00 -0.00 0.00 0.00 39.64 40.06 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 -1.99 -0.69 -1.37 0.38 6.02 -1.26 -4.86 117.38 113.60 1l3e n GLN 23 Ca 0.04 0.70 0.00 0.00 -0.01 0.00 0.00 57.00 57.73 1l3e n GLN 23 Cb 0.41 -3.27 0.00 0.00 1.02 0.00 0.00 30.24 28.40 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 -1.34 -4.34 2.22 1.08 0.00 -1.26 -4.99 105.19 96.55 1l3e n GLY 24 Ca -0.01 -0.79 -0.04 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.15 -1.16 -4.14 1.61 7.64 -1.26 -4.96 113.62 110.19 1l3e n SER 25 Ca 0.00 0.88 -0.36 0.00 1.01 0.00 0.00 58.87 60.41 1l3e n SER 25 Cb 0.07 -3.79 0.10 0.00 -1.01 0.00 0.00 64.21 59.57 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 1.07 -0.78 -2.23 1.43 1.74 -1.26 -4.93 116.66 111.71 1l3e n ARG 26 Ca -0.26 -0.22 -0.28 0.00 -0.77 0.00 0.00 57.85 56.32 1l3e n ARG 26 Cb 0.41 -1.34 0.04 0.00 -1.02 0.00 0.00 32.46 30.55 1l3e n ARG 26 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1l3e s ASN 27 N -1.41 5.46 -0.04 0.55 3.84 -1.26 -5.05 114.94 117.03 1l3e s ASN 27 Ca 0.46 0.80 -0.04 0.00 0.21 0.00 0.00 52.86 54.29 1l3e s ASN 27 Cb -0.01 -1.70 -0.02 0.00 -0.55 0.00 0.00 41.25 38.97 1l3e s ASN 27 CO 0.66 -1.21 0.26 -0.07 -2.79 0.00 0.00 177.10 173.95 1l3e h LEU 28 N -0.36 -0.13 -9.67 3.21 3.38 -2.02 -3.45 115.31 106.27 1l3e h LEU 28 Ca -0.45 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 56.96 1l3e h LEU 28 Cb 1.26 0.03 0.08 0.00 0.09 0.00 0.00 40.66 42.13 1l3e h LEU 28 CO 0.62 0.15 0.75 0.00 0.09 0.00 0.00 178.44 180.04 1l3e n LEU 29 N -3.77 3.65 0.00 1.67 -0.00 -1.26 -4.90 117.00 112.39 1l3e n LEU 29 Ca -0.02 1.14 0.00 0.00 -0.00 0.00 0.00 56.01 57.13 1l3e n LEU 29 Cb 0.06 -1.50 0.00 0.00 -0.00 0.00 0.00 43.42 41.98 1l3e n LEU 29 CO 0.05 -0.19 0.00 1.67 -0.00 0.00 0.00 177.39 178.92 1l3e n GLN 30 N 2.25 0.00 0.00 1.47 7.27 -1.26 -4.69 117.38 122.42 1l3e n GLN 30 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.18 1l3e n GLN 30 Cb 0.34 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.99 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 1.52 1.46 0.20 1.69 0.00 -1.26 -3.97 105.19 104.83 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 -2.01 -1.57 114.58 117.43 1l3e h GLU 32 Ca 0.00 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 1l3e h GLU 32 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1l3e h GLU 32 CO 0.00 0.00 -0.62 0.93 -0.73 0.00 0.00 179.01 178.59 1l3e h GLU 33 N 0.00 0.00 -0.60 1.92 5.08 -1.95 -2.31 114.58 116.72 1l3e h GLU 33 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1l3e h GLU 33 Cb 0.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1l3e h GLU 33 CO 0.00 0.62 0.06 -0.07 -1.00 0.00 0.00 179.01 178.62 1l3e h LEU 34 N 0.00 0.97 0.02 1.33 3.38 -1.41 1.16 115.31 120.77 1l3e h LEU 34 Ca -0.01 -0.24 -0.24 0.00 0.09 0.00 0.00 57.88 57.49 1l3e h LEU 34 Cb 1.44 -0.26 0.02 0.00 0.09 0.00 0.00 40.66 41.95 1l3e h LEU 34 CO 0.08 0.99 -0.94 -0.07 0.09 0.00 0.00 178.44 178.60 1l3e h LEU 35 N 0.94 0.79 -1.04 1.67 3.38 -1.60 0.36 115.31 119.81 1l3e h LEU 35 Ca 0.18 -0.76 -0.10 0.00 0.09 0.00 0.00 57.88 57.29 1l3e h LEU 35 Cb 0.47 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1l3e h LEU 35 CO 0.02 1.45 -0.39 0.03 0.09 0.00 0.00 178.44 179.64 1l3e h ARG 36 N 0.21 0.17 0.04 1.13 2.47 -1.23 -1.22 114.38 115.95 1l3e h ARG 36 Ca -0.12 -0.08 -0.00 0.00 -1.26 0.00 0.00 59.98 58.52 1l3e h ARG 36 Cb 1.62 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.93 1l3e h ARG 36 CO 0.18 0.54 -0.02 0.00 0.56 0.00 0.00 179.97 181.23 1l3e h ALA 37 N 1.46 -0.06 0.00 0.04 0.00 0.14 -3.27 119.26 117.57 1l3e h ALA 37 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1l3e h ALA 37 Cb 0.76 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1l3e h ALA 37 CO 0.06 -0.07 0.00 1.47 0.00 0.00 0.00 179.25 180.71 1l3e n LEU 38 N -4.76 0.00 -2.28 0.00 -0.00 0.13 -3.20 117.00 106.88 1l3e n LEU 38 Ca -0.05 0.12 -0.26 0.00 -0.00 0.00 0.00 56.01 55.83 1l3e n LEU 38 Cb 0.21 -0.12 0.01 0.00 -0.00 0.00 0.00 43.42 43.52 1l3e n LEU 38 CO 0.16 -0.08 1.42 0.47 -0.00 0.00 0.00 177.39 179.35 1l3e n ASP 39 N -1.12 6.81 -2.70 1.45 9.92 -0.46 -4.20 116.55 126.24 1l3e n ASP 39 Ca 0.07 -3.32 -0.07 0.00 -0.53 0.00 0.00 54.79 50.94 1l3e n ASP 39 Cb 0.06 -1.10 0.08 0.00 -0.64 0.00 0.00 41.12 39.52 1l3e n ASP 39 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1l3e n GLN 40 N 0.20 1.25 0.03 -1.24 -0.06 -1.20 -4.94 117.38 111.42 1l3e n GLN 40 Ca 0.45 -2.45 -0.20 0.00 -2.00 0.00 0.00 57.00 52.80 1l3e n GLN 40 Cb 0.55 -0.59 -0.10 0.00 -4.06 0.00 0.00 30.24 26.04 1l3e n GLN 40 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1l3e h VAL 41 N 2.93 1.30 0.00 1.69 2.07 -1.88 -3.53 116.25 118.84 1l3e h VAL 41 Ca -0.22 -2.19 0.00 0.00 0.82 0.00 0.00 66.70 65.11 1l3e h VAL 41 Cb 1.25 2.37 0.00 0.00 -1.52 0.00 0.00 31.29 33.40 1l3e h VAL 41 CO 0.15 0.67 0.00 0.59 0.02 0.00 0.00 177.57 179.01