#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m8c s ALA 2 N 0.00 -0.62 -0.94 1.96 0.00 -1.26 -5.05 121.76 115.85 1m8c s ALA 2 Ca 0.00 -0.22 -0.24 0.00 0.00 0.00 0.00 51.96 51.50 1m8c s ALA 2 Cb 0.00 0.52 -0.15 0.00 0.00 0.00 0.00 23.12 23.49 1m8c s ALA 2 CO 0.00 -0.53 1.92 0.00 0.00 0.00 0.00 175.76 177.14 1m8c n ALA 3 N 0.05 2.11 -0.77 0.00 0.00 -1.26 -4.91 120.51 115.73 1m8c n ALA 3 Ca -0.16 -3.03 -0.34 0.00 0.00 0.00 0.00 53.44 49.91 1m8c n ALA 3 Cb 0.62 -3.55 0.13 0.00 0.00 0.00 0.00 19.45 16.65 1m8c n ALA 3 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1m8c n VAL 4 N 7.23 0.00 -4.78 0.00 3.14 -1.26 -4.91 118.33 117.75 1m8c n VAL 4 Ca 0.46 -0.25 -0.27 0.00 -2.96 0.00 0.00 64.34 61.33 1m8c n VAL 4 Cb 0.44 -0.49 -0.15 0.00 -1.06 0.00 0.00 33.84 32.59 1m8c n VAL 4 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1m8c s SER 5 N -1.73 2.60 -0.15 6.55 0.01 -1.26 -4.25 113.70 115.47 1m8c s SER 5 Ca 0.53 -0.50 -0.10 0.00 1.31 0.00 0.00 55.95 57.18 1m8c s SER 5 Cb -0.12 -0.24 -0.05 0.00 0.21 0.00 0.00 66.02 65.82 1m8c s SER 5 CO 0.68 0.20 0.20 -0.69 0.41 0.00 0.00 173.24 174.04 1m8c s VAL 6 N -0.73 5.38 -0.07 3.43 1.01 -1.26 -4.99 120.40 123.17 1m8c s VAL 6 Ca 0.08 0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.44 1m8c s VAL 6 Cb -0.09 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 1m8c s VAL 6 CO 0.01 0.50 -0.17 -0.62 0.00 0.00 0.00 175.10 174.82 1m8c s ASP 7 N -0.18 3.77 -0.35 3.32 -1.08 -1.26 -4.92 116.67 115.97 1m8c s ASP 7 Ca 0.14 -0.31 0.08 0.00 -0.52 0.00 0.00 52.55 51.93 1m8c s ASP 7 Cb -0.12 -1.02 0.60 0.00 -1.46 0.00 0.00 42.92 40.92 1m8c s ASP 7 CO 0.03 0.28 1.68 0.00 0.52 0.00 0.00 175.17 177.67 1m8c h SER 9 N 1.30 0.00 -0.55 0.00 0.02 -2.03 -3.34 113.55 108.95 1m8c h SER 9 Ca 0.36 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 61.04 1m8c h SER 9 Cb 2.19 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 64.32 1m8c h SER 9 CO 0.69 0.72 -1.11 -1.84 -1.14 0.00 0.00 176.83 174.15 1m8c n GLU 10 N -3.44 1.75 -2.81 3.45 0.28 -1.26 -4.92 120.64 113.69 1m8c n GLU 10 Ca 0.00 -3.51 -0.10 0.00 -0.16 0.00 0.00 57.16 53.39 1m8c n GLU 10 Cb 0.77 -1.59 0.04 0.00 1.43 0.00 0.00 31.44 32.09 1m8c n GLU 10 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1m8c n TYR 11 N -0.52 -2.81 -1.80 -1.84 4.01 -1.25 -5.10 117.16 107.84 1m8c n TYR 11 Ca 0.09 -2.10 -0.32 0.00 -0.16 0.00 0.00 57.90 55.42 1m8c n TYR 11 Cb 0.81 1.32 0.03 0.00 -0.31 0.00 0.00 39.34 41.19 1m8c n TYR 11 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1m8c s PRO 12 N 0.29 3.15 0.53 -0.72 0.04 -1.26 -4.76 135.00 132.27 1m8c s PRO 12 Ca 0.30 1.05 0.31 0.00 0.04 0.00 0.00 61.00 62.70 1m8c s PRO 12 Cb 0.24 -2.02 1.70 0.00 0.04 0.00 0.00 34.50 34.47 1m8c s PRO 12 CO -0.18 -0.93 1.95 -0.22 0.04 0.00 0.00 177.00 177.65 1m8c h LYS 13 N -0.18 0.00 -0.08 4.56 3.64 -1.97 1.27 116.57 123.82 1m8c h LYS 13 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1m8c h LYS 13 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1m8c h LYS 13 CO 0.57 0.00 0.00 -3.47 -2.27 0.00 0.00 179.45 174.28 1m8c n ASP 14 N -2.68 1.01 -3.70 4.20 -0.08 -1.26 -4.30 116.55 109.75 1m8c n ASP 14 Ca -0.02 -1.51 -0.28 0.00 -1.51 0.00 0.00 54.79 51.47 1m8c n ASP 14 Cb 0.16 -0.05 -0.11 0.00 2.34 0.00 0.00 41.12 43.46 1m8c n ASP 14 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1m8c n ALA 15 N -0.14 3.25 -2.76 -1.67 0.00 0.44 -4.94 120.51 114.67 1m8c n ALA 15 Ca 0.17 -4.05 0.00 0.00 0.00 0.00 0.00 53.44 49.56 1m8c n ALA 15 Cb 0.24 -0.93 0.01 0.00 0.00 0.00 0.00 19.45 18.77 1m8c n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m8c n THR 17 N 3.42 0.00 -0.27 0.00 -1.04 -1.26 -4.65 114.28 110.48 1m8c n THR 17 Ca 0.08 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.00 1m8c n THR 17 Cb 0.63 0.00 0.15 0.00 -1.82 0.00 0.00 70.33 69.29 1m8c n THR 17 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1m8c n LEU 18 N 0.00 4.83 -4.71 -4.42 -0.00 -1.26 -4.90 117.00 106.54 1m8c n LEU 18 Ca 0.00 -2.52 -0.41 0.00 -0.00 0.00 0.00 56.01 53.08 1m8c n LEU 18 Cb 0.00 -0.68 -0.04 0.00 -0.00 0.00 0.00 43.42 42.71 1m8c n LEU 18 CO 0.00 0.73 0.56 -1.61 -0.00 0.00 0.00 177.39 177.06 1m8c s GLU 19 N -1.98 4.50 -0.16 1.47 8.01 -1.26 -5.04 118.70 124.24 1m8c s GLU 19 Ca 0.33 1.18 0.01 0.00 0.01 0.00 0.00 54.97 56.50 1m8c s GLU 19 Cb 0.27 -3.46 0.02 0.00 -4.31 0.00 0.00 34.13 26.66 1m8c s GLU 19 CO 0.07 -0.00 -0.17 -0.47 0.01 0.00 0.00 175.26 174.70 1m8c s TYR 20 N 0.93 2.44 -0.19 1.61 6.14 -1.26 -4.91 117.35 122.11 1m8c s TYR 20 Ca 0.46 -1.41 -0.05 0.00 0.64 0.00 0.00 57.07 56.71 1m8c s TYR 20 Cb -0.20 -1.74 0.07 0.00 0.42 0.00 0.00 41.96 40.51 1m8c s TYR 20 CO 0.24 -0.73 0.09 1.03 0.64 0.00 0.00 175.55 176.82 1m8c s ARG 21 N 1.39 0.15 0.42 4.97 0.52 0.13 -4.99 118.95 121.53 1m8c s ARG 21 Ca 0.05 -0.20 -0.23 0.00 -0.52 0.00 0.00 55.73 54.83 1m8c s ARG 21 Cb -0.13 -1.76 -0.09 0.00 0.52 0.00 0.00 34.95 33.50 1m8c s ARG 21 CO -0.12 -0.73 1.05 -1.25 0.02 0.00 0.00 175.30 174.28 1m8c s PRO 22 N 2.10 4.09 0.28 3.54 0.04 -0.96 -2.01 135.00 142.07 1m8c s PRO 22 Ca 0.03 1.50 -0.15 0.00 0.04 0.00 0.00 61.00 62.42 1m8c s PRO 22 Cb -0.16 -2.46 0.01 0.00 0.04 0.00 0.00 34.50 31.93 1m8c s PRO 22 CO -0.13 -0.21 0.58 -0.48 0.04 0.00 0.00 177.00 176.80 1m8c s LEU 23 N -2.80 0.15 0.04 -3.56 2.34 -0.56 -0.37 118.68 113.92 1m8c s LEU 23 Ca 0.60 -0.89 0.06 0.00 0.06 0.00 0.00 54.13 53.96 1m8c s LEU 23 Cb -0.21 2.15 -0.02 0.00 -0.56 0.00 0.00 46.19 47.55 1m8c s LEU 23 CO 0.27 -1.27 -0.17 0.00 -1.06 0.00 0.00 176.35 174.12 1m8c s GLY 25 N -1.07 1.59 0.53 0.00 0.00 -0.22 -0.30 107.32 107.85 1m8c s GLY 25 Ca 0.04 -1.53 0.30 0.00 0.00 0.00 0.00 44.72 43.53 1m8c s GLY 25 CO 0.01 -1.51 1.91 0.23 0.00 0.00 0.00 173.10 173.74 1m8c h SER 26 N 1.34 0.00 0.70 1.64 0.87 -1.38 1.37 113.55 118.09 1m8c h SER 26 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1m8c h SER 26 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1m8c h SER 26 CO 0.59 0.00 -0.25 -0.90 -0.53 0.00 0.00 176.83 175.75 1m8c n ASP 27 N -2.66 0.29 0.00 6.23 5.75 -1.26 -4.90 116.55 119.99 1m8c n ASP 27 Ca -0.02 0.04 0.00 0.00 -0.01 0.00 0.00 54.79 54.80 1m8c n ASP 27 Cb 0.19 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1m8c n ASP 27 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1m8c n ASN 28 N -1.44 -1.27 -4.75 -1.12 2.85 0.47 -5.04 115.26 104.95 1m8c n ASN 28 Ca 0.07 0.00 -0.38 0.00 -0.11 0.00 0.00 54.58 54.16 1m8c n ASN 28 Cb 0.33 -0.41 -0.06 0.00 1.24 0.00 0.00 39.78 40.88 1m8c n ASN 28 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1m8c s LYS 29 N -2.94 4.20 -0.43 1.20 1.02 -1.23 -4.81 119.74 116.75 1m8c s LYS 29 Ca 0.00 0.35 -0.18 0.00 0.02 0.00 0.00 55.97 56.16 1m8c s LYS 29 Cb 0.00 -3.37 0.02 0.00 -0.52 0.00 0.00 37.83 33.96 1m8c s LYS 29 CO 0.00 0.32 0.49 0.99 -0.92 0.00 0.00 175.35 176.23 1m8c s THR 30 N 0.12 5.02 0.28 2.17 2.01 -1.26 -1.06 115.64 122.93 1m8c s THR 30 Ca 0.23 -0.26 0.04 0.00 0.31 0.00 0.00 61.69 62.01 1m8c s THR 30 Cb -0.15 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 1m8c s THR 30 CO 0.10 -0.48 0.43 -0.31 -0.69 0.00 0.00 174.62 173.67 1m8c s TYR 31 N 2.30 3.42 -0.14 4.92 2.02 0.53 -4.94 117.35 125.47 1m8c s TYR 31 Ca 0.14 0.06 0.17 0.00 -0.37 0.00 0.00 57.07 57.08 1m8c s TYR 31 Cb -0.16 -1.72 -0.24 0.00 -0.40 0.00 0.00 41.96 39.43 1m8c s TYR 31 CO 0.15 0.28 0.34 0.41 -1.57 0.00 0.00 175.55 175.16 1m8c n GLY 32 N -1.55 -1.03 3.32 0.71 0.00 -1.26 -1.50 105.19 103.88 1m8c n GLY 32 Ca -0.07 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 1m8c n GLY 32 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1m8c s ASN 33 N -5.54 0.09 0.31 1.61 3.84 -0.85 0.22 114.94 114.61 1m8c s ASN 33 Ca -0.08 -1.02 0.14 0.00 0.21 0.00 0.00 52.86 52.11 1m8c s ASN 33 Cb 0.08 0.42 0.43 0.00 -0.55 0.00 0.00 41.25 41.63 1m8c s ASN 33 CO 0.84 -0.89 1.62 0.11 -2.79 0.00 0.00 177.10 175.99 1m8c h LYS 34 N 2.58 0.00 -0.33 0.43 6.56 -1.94 -1.87 116.57 121.99 1m8c h LYS 34 Ca -0.32 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.23 1m8c h LYS 34 Cb 1.23 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.88 1m8c h LYS 34 CO 0.49 0.53 0.07 0.00 -2.06 0.00 0.00 179.45 178.48 1m8c h ASN 36 N 0.37 0.70 0.17 0.00 2.35 -1.94 0.34 115.58 117.57 1m8c h ASN 36 Ca 0.10 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1m8c h ASN 36 Cb 0.32 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1m8c h ASN 36 CO 0.00 0.81 -0.17 0.15 -1.65 0.00 0.00 177.43 176.58 1m8c h PHE 37 N 0.56 -0.43 0.00 1.19 3.04 -1.10 0.44 116.94 120.63 1m8c h PHE 37 Ca 0.12 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.05 1m8c h PHE 37 Cb 0.44 0.17 -0.00 0.00 2.56 0.00 0.00 35.95 39.12 1m8c h PHE 37 CO 0.03 -0.25 -0.11 0.00 -2.02 0.00 0.00 178.31 175.96 1m8c h ASN 39 N 0.00 0.45 0.50 0.00 -1.24 0.48 -2.20 115.58 113.57 1m8c h ASN 39 Ca -0.00 -0.25 -0.14 0.00 0.71 0.00 0.00 56.30 56.61 1m8c h ASN 39 Cb 0.23 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.14 1m8c h ASN 39 CO 0.01 0.59 -0.63 0.00 -1.29 0.00 0.00 177.43 176.11 1m8c h ALA 40 N 0.88 0.88 -0.63 1.57 0.00 -0.00 -3.03 119.26 118.92 1m8c h ALA 40 Ca 0.09 -0.57 0.08 0.00 0.00 0.00 0.00 54.91 54.51 1m8c h ALA 40 Cb 0.32 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1m8c h ALA 40 CO 0.00 0.77 0.30 0.28 0.00 0.00 0.00 179.25 180.60 1m8c h VAL 41 N 0.09 0.87 -0.99 0.00 2.07 -0.36 0.53 116.25 118.45 1m8c h VAL 41 Ca -0.01 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.34 1m8c h VAL 41 Cb 1.14 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 1m8c h VAL 41 CO 0.09 0.10 0.65 1.62 0.02 0.00 0.00 177.57 180.05 1m8c h VAL 42 N 0.54 1.24 0.00 2.57 3.04 -1.29 0.48 116.25 122.83 1m8c h VAL 42 Ca 0.30 -0.46 -0.02 0.00 -1.01 0.00 0.00 66.70 65.52 1m8c h VAL 42 Cb 0.29 -0.20 -0.00 0.00 -2.01 0.00 0.00 31.29 29.37 1m8c h VAL 42 CO -0.24 0.24 -0.08 -0.08 -1.01 0.00 0.00 177.57 176.40 1m8c h GLU 43 N 1.33 0.00 -0.69 4.17 4.81 -0.94 -0.70 114.58 122.56 1m8c h GLU 43 Ca 0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 1m8c h GLU 43 Cb -0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.25 1m8c h GLU 43 CO -0.08 0.08 0.00 0.43 -0.73 0.00 0.00 179.01 178.70 1m8c n SER 44 N -3.37 3.70 0.00 1.04 7.64 0.20 -4.83 113.62 117.99 1m8c n SER 44 Ca -0.01 -2.47 0.00 0.00 1.01 0.00 0.00 58.87 57.40 1m8c n SER 44 Cb 0.24 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1m8c n SER 44 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1m8c n ASN 45 N 0.48 -2.83 0.00 6.43 3.02 -0.27 -1.66 115.26 120.44 1m8c n ASN 45 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1m8c n ASN 45 Cb 0.76 -1.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.39 1m8c n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1m8c n GLY 46 N -1.53 0.66 0.08 7.41 0.00 0.14 -4.96 105.19 107.00 1m8c n GLY 46 Ca 0.00 -0.32 -0.15 0.00 0.00 0.00 0.00 46.02 45.55 1m8c n GLY 46 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1m8c h THR 47 N 0.00 1.14 -1.46 2.61 2.02 -1.45 -3.47 112.91 112.31 1m8c h THR 47 Ca 0.00 -2.06 -0.64 0.00 0.77 0.00 0.00 66.41 64.48 1m8c h THR 47 Cb 0.00 2.36 0.13 0.00 -1.74 0.00 0.00 68.15 68.90 1m8c h THR 47 CO 0.00 0.39 -0.62 -0.11 0.37 0.00 0.00 175.52 175.54 1m8c n LEU 48 N -4.55 -1.51 0.00 2.58 7.94 -1.26 -4.97 117.00 115.23 1m8c n LEU 48 Ca -0.18 1.00 -0.09 0.00 -1.11 0.00 0.00 56.01 55.63 1m8c n LEU 48 Cb 0.51 -0.96 -0.02 0.00 0.53 0.00 0.00 43.42 43.47 1m8c n LEU 48 CO 0.23 -3.31 -0.06 0.35 -1.11 0.00 0.00 177.39 173.50 1m8c n THR 49 N -0.43 0.00 -3.64 1.96 -2.24 -1.26 -4.89 114.28 103.79 1m8c n THR 49 Ca 0.14 -0.77 -0.40 0.00 -2.27 0.00 0.00 64.05 60.76 1m8c n THR 49 Cb 0.32 0.26 -0.11 0.00 -2.10 0.00 0.00 70.33 68.70 1m8c n THR 49 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1m8c s LEU 50 N 0.00 4.49 0.00 3.22 2.96 -1.26 -1.07 118.68 127.02 1m8c s LEU 50 Ca 0.06 -0.89 -0.25 0.00 -0.22 0.00 0.00 54.13 52.82 1m8c s LEU 50 Cb 0.00 -1.99 -0.19 0.00 0.50 0.00 0.00 46.19 44.51 1m8c s LEU 50 CO 0.04 -0.33 1.37 -1.28 -1.32 0.00 0.00 176.35 174.83 1m8c h SER 51 N 8.38 -0.02 -5.31 3.68 0.87 -0.81 -3.38 113.55 116.95 1m8c h SER 51 Ca -0.27 -0.36 0.13 0.00 -1.23 0.00 0.00 61.79 60.06 1m8c h SER 51 Cb 1.11 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.04 1m8c h SER 51 CO 0.65 0.35 0.50 -1.38 -0.53 0.00 0.00 176.83 176.42 1m8c s HIS 52 N -4.71 0.03 0.73 2.24 0.00 -1.03 -4.50 115.29 108.06 1m8c s HIS 52 Ca -0.15 -0.46 -0.05 0.00 -3.00 0.00 0.00 55.06 51.39 1m8c s HIS 52 Cb 0.03 0.71 0.10 0.00 -4.00 0.00 0.00 32.58 29.42 1m8c s HIS 52 CO 0.66 -1.03 1.03 -0.06 -1.00 0.00 0.00 174.74 174.34 1m8c s PHE 53 N -2.48 2.35 0.00 0.38 0.40 -1.26 -0.58 117.98 116.78 1m8c s PHE 53 Ca 0.18 0.17 0.00 0.00 -0.60 0.00 0.00 56.93 56.68 1m8c s PHE 53 Cb -0.03 -3.23 0.00 0.00 0.51 0.00 0.00 43.02 40.27 1m8c s PHE 53 CO 0.06 -1.61 0.00 0.41 0.70 0.00 0.00 175.22 174.78 1m8c n GLY 54 N -2.95 0.69 3.76 4.36 0.00 0.50 -4.49 105.19 107.05 1m8c n GLY 54 Ca 0.11 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 1m8c n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m8c s LYS 55 N 0.00 2.93 0.00 1.61 -2.85 -1.26 -2.01 119.74 118.16 1m8c s LYS 55 Ca 0.00 1.70 0.06 0.00 -1.00 0.00 0.00 55.97 56.73 1m8c s LYS 55 Cb 0.00 -1.94 0.38 0.00 -2.06 0.00 0.00 37.83 34.21 1m8c s LYS 55 CO 0.00 -1.20 0.84 0.00 0.10 0.00 0.00 175.35 175.09