#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m8c n ALA 2 N 0.00 -4.81 -0.93 -1.18 0.00 -1.26 -4.70 120.51 107.63 1m8c n ALA 2 Ca 0.00 -0.94 0.11 0.00 0.00 0.00 0.00 53.44 52.62 1m8c n ALA 2 Cb 0.00 -1.24 -0.06 0.00 0.00 0.00 0.00 19.45 18.15 1m8c n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m8c n ALA 3 N -3.25 -2.45 -0.70 0.00 0.00 -1.26 -4.86 120.51 107.99 1m8c n ALA 3 Ca 0.00 0.60 -0.32 0.00 0.00 0.00 0.00 53.44 53.72 1m8c n ALA 3 Cb 0.61 -1.02 0.16 0.00 0.00 0.00 0.00 19.45 19.21 1m8c n ALA 3 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1m8c n VAL 4 N -3.53 0.00 -3.17 0.00 0.24 -1.26 -5.03 118.33 105.58 1m8c n VAL 4 Ca -0.06 -0.19 0.05 0.00 -2.04 0.00 0.00 64.34 62.10 1m8c n VAL 4 Cb 0.44 -0.77 -0.02 0.00 -1.47 0.00 0.00 33.84 32.02 1m8c n VAL 4 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1m8c s SER 5 N -2.21 -0.70 -0.17 -1.34 0.15 -1.26 -4.94 113.70 103.23 1m8c s SER 5 Ca 0.61 0.48 -0.12 0.00 0.70 0.00 0.00 55.95 57.62 1m8c s SER 5 Cb -0.21 1.60 -0.05 0.00 -1.71 0.00 0.00 66.02 65.66 1m8c s SER 5 CO 0.64 -0.13 0.21 -0.69 1.20 0.00 0.00 173.24 174.47 1m8c s VAL 6 N 2.89 5.36 -0.11 4.45 1.01 -1.26 -5.08 120.40 127.66 1m8c s VAL 6 Ca 0.04 0.37 -0.03 0.00 0.00 0.00 0.00 61.98 62.37 1m8c s VAL 6 Cb -0.11 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 1m8c s VAL 6 CO -0.14 0.44 -0.01 -0.62 0.00 0.00 0.00 175.10 174.77 1m8c s ASP 7 N 0.21 5.08 -0.15 3.32 -1.08 -1.26 -4.99 116.67 117.81 1m8c s ASP 7 Ca 0.13 0.04 0.18 0.00 -0.52 0.00 0.00 52.55 52.38 1m8c s ASP 7 Cb -0.12 -1.57 0.44 0.00 -1.46 0.00 0.00 42.92 40.21 1m8c s ASP 7 CO 0.02 0.30 1.18 0.00 0.52 0.00 0.00 175.17 177.19 1m8c h SER 9 N 1.36 0.00 -1.63 0.00 4.64 -2.03 -3.38 113.55 112.50 1m8c h SER 9 Ca -0.06 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.80 1m8c h SER 9 Cb 1.44 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 63.12 1m8c h SER 9 CO 0.16 0.65 -1.07 -1.84 -0.87 0.00 0.00 176.83 173.85 1m8c n GLU 10 N -3.00 1.61 -2.79 4.77 0.28 -1.26 -4.95 120.64 115.30 1m8c n GLU 10 Ca -0.08 -3.66 -0.05 0.00 -0.16 0.00 0.00 57.16 53.21 1m8c n GLU 10 Cb 0.86 -1.68 0.01 0.00 1.43 0.00 0.00 31.44 32.06 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 0.00 -3.67 -2.18 -1.84 4.01 -1.26 -5.08 117.16 107.15 1m8c n TYR 11 Ca 0.22 -1.49 -0.33 0.00 -0.16 0.00 0.00 57.90 56.14 1m8c n TYR 11 Cb 0.68 1.43 -0.00 0.00 -0.31 0.00 0.00 39.34 41.14 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 0.81 3.48 0.44 -0.72 0.04 -1.26 -4.82 135.00 132.98 1m8c s PRO 12 Ca 0.30 1.21 0.29 0.00 0.04 0.00 0.00 61.00 62.84 1m8c s PRO 12 Cb 0.02 -2.06 1.00 0.00 0.04 0.00 0.00 34.50 33.51 1m8c s PRO 12 CO -0.07 -0.68 1.83 -0.22 0.04 0.00 0.00 177.00 177.90 1m8c h LYS 13 N 0.71 0.00 -0.00 4.56 3.64 -1.99 -1.96 116.57 121.53 1m8c h LYS 13 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1m8c h LYS 13 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1m8c h LYS 13 CO 0.58 0.00 -0.01 -3.47 -2.27 0.00 0.00 179.45 174.28 1m8c n ASP 14 N -2.88 0.06 0.00 4.20 -0.08 -1.26 -4.74 116.55 111.86 1m8c n ASP 14 Ca 0.02 -0.37 0.00 0.00 -1.51 0.00 0.00 54.79 52.93 1m8c n ASP 14 Cb 0.36 -0.20 0.00 0.00 2.34 0.00 0.00 41.12 43.62 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 -1.19 0.00 -2.53 -1.67 0.00 -0.74 -5.07 120.51 109.31 1m8c n ALA 15 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.57 1m8c n ALA 15 Cb 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.64 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 1.85 0.00 -0.20 0.00 -1.04 -1.26 -4.80 114.28 108.84 1m8c n THR 17 Ca -0.23 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 61.83 1m8c n THR 17 Cb 0.36 0.00 0.26 0.00 -1.82 0.00 0.00 70.33 69.13 1m8c n THR 17 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1m8c n LEU 18 N 0.00 4.03 -4.55 -4.42 7.94 -1.26 -4.86 117.00 113.88 1m8c n LEU 18 Ca 0.00 -2.04 -0.33 0.00 -1.11 0.00 0.00 56.01 52.53 1m8c n LEU 18 Cb 0.00 -0.60 -0.04 0.00 0.53 0.00 0.00 43.42 43.31 1m8c n LEU 18 CO 0.00 0.51 1.52 -1.61 -1.11 0.00 0.00 177.39 176.70 1m8c s GLU 19 N -2.10 2.55 -0.27 1.96 8.01 -1.26 -4.93 118.70 122.65 1m8c s GLU 19 Ca 0.36 0.31 -0.17 0.00 0.01 0.00 0.00 54.97 55.48 1m8c s GLU 19 Cb 0.27 -4.65 -0.03 0.00 -4.31 0.00 0.00 34.13 25.40 1m8c s GLU 19 CO 0.11 -3.04 0.49 -0.47 0.01 0.00 0.00 175.26 172.36 1m8c s TYR 20 N 9.76 3.26 -0.21 1.61 5.04 -1.26 -4.79 117.35 130.75 1m8c s TYR 20 Ca 0.70 0.57 -0.04 0.00 -2.44 0.00 0.00 57.07 55.86 1m8c s TYR 20 Cb -0.11 -2.70 0.08 0.00 0.35 0.00 0.00 41.96 39.58 1m8c s TYR 20 CO 0.13 -0.28 0.15 1.03 -1.34 0.00 0.00 175.55 175.23 1m8c s ARG 21 N 2.27 0.14 0.43 4.97 3.00 0.14 -5.01 118.95 124.89 1m8c s ARG 21 Ca 0.20 -0.10 -0.23 0.00 0.00 0.00 0.00 55.73 55.60 1m8c s ARG 21 Cb -0.16 -1.45 -0.09 0.00 0.00 0.00 0.00 34.95 33.26 1m8c s ARG 21 CO 0.09 -0.76 1.05 -1.25 0.00 0.00 0.00 175.30 174.43 1m8c s PRO 22 N 2.20 4.03 0.24 3.54 0.04 -1.15 -2.87 135.00 141.03 1m8c s PRO 22 Ca 0.05 1.47 -0.21 0.00 0.04 0.00 0.00 61.00 62.36 1m8c s PRO 22 Cb -0.16 -2.39 0.03 0.00 0.04 0.00 0.00 34.50 32.02 1m8c s PRO 22 CO -0.17 -0.25 0.66 -0.48 0.04 0.00 0.00 177.00 176.80 1m8c s LEU 23 N -2.93 -0.26 0.12 -3.56 2.34 -0.55 0.32 118.68 114.16 1m8c s LEU 23 Ca 0.61 -0.47 0.10 0.00 0.06 0.00 0.00 54.13 54.43 1m8c s LEU 23 Cb -0.20 2.58 -0.04 0.00 -0.56 0.00 0.00 46.19 47.97 1m8c s LEU 23 CO 0.25 -1.22 -0.24 0.00 -1.06 0.00 0.00 176.35 174.08 1m8c s GLY 25 N -1.99 1.92 0.53 0.00 0.00 0.14 0.03 107.32 107.95 1m8c s GLY 25 Ca 0.15 -1.76 0.24 0.00 0.00 0.00 0.00 44.72 43.35 1m8c s GLY 25 CO 0.07 -1.66 2.02 0.23 0.00 0.00 0.00 173.10 173.76 1m8c h SER 26 N 1.27 0.00 0.00 1.64 0.87 -1.56 1.43 113.55 117.21 1m8c h SER 26 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1m8c h SER 26 Cb 1.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1m8c h SER 26 CO 0.60 0.00 -0.00 0.47 -0.53 0.00 0.00 176.83 177.36 1m8c n ASP 27 N -4.36 0.42 -0.10 6.23 9.92 -1.26 -4.86 116.55 122.55 1m8c n ASP 27 Ca 0.08 -1.13 -0.01 0.00 -0.53 0.00 0.00 54.79 53.20 1m8c n ASP 27 Cb 0.52 -0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 41.00 1m8c n ASP 27 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1m8c n ASN 28 N -0.68 -1.92 -4.69 -2.24 5.15 0.49 -5.01 115.26 106.36 1m8c n ASN 28 Ca 0.22 0.01 -0.40 0.00 -0.60 0.00 0.00 54.58 53.81 1m8c n ASN 28 Cb 0.18 -0.71 -0.04 0.00 -0.53 0.00 0.00 39.78 38.67 1m8c n ASN 28 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1m8c s LYS 29 N -3.34 4.38 -0.47 1.20 2.47 -1.22 -4.70 119.74 118.05 1m8c s LYS 29 Ca 0.00 0.94 -0.18 0.00 -1.56 0.00 0.00 55.97 55.16 1m8c s LYS 29 Cb 0.00 -3.50 0.05 0.00 -1.46 0.00 0.00 37.83 32.91 1m8c s LYS 29 CO 0.00 -0.11 0.55 0.99 0.16 0.00 0.00 175.35 176.94 1m8c s THR 30 N 1.39 4.96 0.33 3.43 2.01 -1.26 0.24 115.64 126.74 1m8c s THR 30 Ca 0.38 -0.44 0.02 0.00 0.31 0.00 0.00 61.69 61.96 1m8c s THR 30 Cb -0.17 -4.20 -0.03 0.00 0.01 0.00 0.00 72.50 68.11 1m8c s THR 30 CO 0.16 -0.65 0.51 -0.31 -0.69 0.00 0.00 174.62 173.63 1m8c s TYR 31 N 2.42 3.43 -0.16 4.92 2.02 0.99 -4.92 117.35 126.05 1m8c s TYR 31 Ca 0.14 0.20 0.17 0.00 -0.37 0.00 0.00 57.07 57.21 1m8c s TYR 31 Cb -0.19 -1.86 -0.25 0.00 -0.40 0.00 0.00 41.96 39.27 1m8c s TYR 31 CO 0.13 0.15 0.13 0.41 -1.57 0.00 0.00 175.55 174.80 1m8c n GLY 32 N -1.71 -0.93 3.21 0.71 0.00 -1.26 -1.48 105.19 103.74 1m8c n GLY 32 Ca -0.05 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 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 -5.15 0.21 0.28 1.61 2.47 -1.14 0.23 114.94 113.46 1m8c s ASN 33 Ca -0.09 -1.21 0.14 0.00 0.42 0.00 0.00 52.86 52.12 1m8c s ASN 33 Cb 0.07 0.35 0.30 0.00 -1.45 0.00 0.00 41.25 40.53 1m8c s ASN 33 CO 0.79 -0.80 1.56 0.11 -3.72 0.00 0.00 177.10 175.03 1m8c h LYS 34 N 2.72 0.00 -0.23 0.43 6.56 -1.87 -1.72 116.57 122.46 1m8c h LYS 34 Ca -0.34 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.22 1m8c h LYS 34 Cb 1.22 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.87 1m8c h LYS 34 CO 0.55 0.57 0.05 0.00 -2.06 0.00 0.00 179.45 178.56 1m8c h ASN 36 N 0.19 1.00 0.21 0.00 4.21 -1.96 -0.21 115.58 119.03 1m8c h ASN 36 Ca 0.07 -0.35 -0.01 0.00 1.21 0.00 0.00 56.30 57.23 1m8c h ASN 36 Cb 0.30 -0.27 -0.00 0.00 -1.12 0.00 0.00 38.32 37.22 1m8c h ASN 36 CO 0.00 1.12 -0.14 0.15 -1.29 0.00 0.00 177.43 177.27 1m8c h PHE 37 N 0.88 -0.35 0.00 1.19 3.57 -1.06 -0.86 116.94 120.30 1m8c h PHE 37 Ca 0.14 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1m8c h PHE 37 Cb 0.66 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.52 1m8c h PHE 37 CO 0.05 -0.21 -0.16 0.00 -2.23 0.00 0.00 178.31 175.76 1m8c h ASN 39 N 0.00 0.62 0.29 0.00 -1.24 0.05 -0.37 115.58 114.94 1m8c h ASN 39 Ca -0.00 -0.09 -0.18 0.00 0.71 0.00 0.00 56.30 56.75 1m8c h ASN 39 Cb 0.31 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 1m8c h ASN 39 CO 0.02 0.52 -0.71 0.00 -1.29 0.00 0.00 177.43 175.98 1m8c h ALA 40 N 1.12 0.64 -0.35 1.57 0.00 -0.29 -3.00 119.26 118.96 1m8c h ALA 40 Ca 0.18 -0.60 0.04 0.00 0.00 0.00 0.00 54.91 54.53 1m8c h ALA 40 Cb 0.04 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1m8c h ALA 40 CO -0.03 0.76 0.11 0.28 0.00 0.00 0.00 179.25 180.37 1m8c h VAL 41 N 0.25 0.88 -0.21 0.00 2.07 -0.44 0.96 116.25 119.76 1m8c h VAL 41 Ca -0.03 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.42 1m8c h VAL 41 Cb 1.27 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1m8c h VAL 41 CO 0.12 0.04 0.14 0.58 0.02 0.00 0.00 177.57 178.47 1m8c h VAL 42 N 0.24 1.04 0.00 2.57 2.07 -1.03 0.41 116.25 121.55 1m8c h VAL 42 Ca 0.16 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1m8c h VAL 42 Cb 0.15 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1m8c h VAL 42 CO -0.18 0.05 0.00 -0.08 0.02 0.00 0.00 177.57 177.38 1m8c h GLU 43 N 0.26 0.00 -0.60 1.57 4.81 -0.76 -2.67 114.58 117.18 1m8c h GLU 43 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1m8c h GLU 43 Cb -0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1m8c h GLU 43 CO -0.02 0.00 0.00 -1.13 -0.73 0.00 0.00 179.01 177.13 1m8c n SER 44 N -2.43 5.11 0.00 1.04 3.41 0.10 -4.87 113.62 115.98 1m8c n SER 44 Ca 0.04 -2.66 0.00 0.00 -0.26 0.00 0.00 58.87 55.99 1m8c n SER 44 Cb 0.37 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 1m8c n SER 44 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1m8c n ASN 45 N 0.86 -2.73 0.00 4.04 3.02 -1.01 -1.57 115.26 117.87 1m8c n ASN 45 Ca 0.26 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 1m8c n ASN 45 Cb 1.01 -1.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.60 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 -1.50 0.75 0.10 7.41 0.00 0.10 -4.97 105.19 107.09 1m8c n GLY 46 Ca 0.00 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 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 1.19 -1.37 2.61 2.02 -1.43 -3.47 112.91 112.46 1m8c h THR 47 Ca 0.00 -2.28 -0.73 0.00 0.77 0.00 0.00 66.41 64.17 1m8c h THR 47 Cb 0.00 2.67 0.05 0.00 -1.74 0.00 0.00 68.15 69.13 1m8c h THR 47 CO 0.00 0.49 0.29 -0.11 0.37 0.00 0.00 175.52 176.55 1m8c n LEU 48 N -4.36 0.91 0.00 2.58 7.94 -1.26 -4.95 117.00 117.86 1m8c n LEU 48 Ca -0.24 1.14 -0.12 0.00 -1.11 0.00 0.00 56.01 55.67 1m8c n LEU 48 Cb 0.68 -1.07 -0.01 0.00 0.53 0.00 0.00 43.42 43.55 1m8c n LEU 48 CO 0.28 -1.42 -0.04 0.35 -1.11 0.00 0.00 177.39 175.45 1m8c n THR 49 N 2.11 0.00 -3.56 1.96 -2.24 -1.26 -4.83 114.28 106.45 1m8c n THR 49 Ca 0.19 -0.97 -0.41 0.00 -2.27 0.00 0.00 64.05 60.59 1m8c n THR 49 Cb 0.14 -0.05 -0.10 0.00 -2.10 0.00 0.00 70.33 68.22 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 5.14 0.19 3.22 2.96 -1.26 -1.48 118.68 127.45 1m8c s LEU 50 Ca 0.07 -1.35 -0.12 0.00 -0.22 0.00 0.00 54.13 52.50 1m8c s LEU 50 Cb -0.01 -2.03 0.15 0.00 0.50 0.00 0.00 46.19 44.80 1m8c s LEU 50 CO 0.04 -0.52 1.80 -1.28 -1.32 0.00 0.00 176.35 175.07 1m8c h SER 51 N 8.48 0.44 -5.93 3.68 0.87 -0.54 -3.44 113.55 117.10 1m8c h SER 51 Ca -0.24 0.02 0.38 0.00 -1.23 0.00 0.00 61.79 60.72 1m8c h SER 51 Cb 1.09 -0.06 -0.12 0.00 -0.44 0.00 0.00 62.40 62.87 1m8c h SER 51 CO 0.76 0.30 0.95 -1.38 -0.53 0.00 0.00 176.83 176.94 1m8c s HIS 52 N -6.13 -0.01 0.90 2.24 0.00 -1.07 -4.98 115.29 106.25 1m8c s HIS 52 Ca -0.13 -0.03 -0.13 0.00 -3.00 0.00 0.00 55.06 51.77 1m8c s HIS 52 Cb 0.14 0.52 0.14 0.00 -4.00 0.00 0.00 32.58 29.37 1m8c s HIS 52 CO 0.74 -0.09 1.17 -0.06 -1.00 0.00 0.00 174.74 175.50 1m8c s PHE 53 N -2.10 2.43 0.39 0.38 0.08 -1.26 -0.88 117.98 117.02 1m8c s PHE 53 Ca 0.19 0.75 0.00 0.00 0.12 0.00 0.00 56.93 57.99 1m8c s PHE 53 Cb 0.05 -3.50 0.00 0.00 -0.57 0.00 0.00 43.02 39.00 1m8c s PHE 53 CO -0.05 -2.32 0.00 0.41 -0.10 0.00 0.00 175.22 173.16 1m8c n GLY 54 N -2.60 -2.10 3.09 4.36 0.00 0.15 -4.46 105.19 103.63 1m8c n GLY 54 Ca 0.08 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 1m8c n GLY 54 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1m8c n LYS 55 N -3.80 -0.08 0.00 1.61 0.00 -1.25 -2.82 118.16 111.81 1m8c n LYS 55 Ca -0.04 -0.02 0.13 0.00 -0.00 0.00 0.00 58.31 58.39 1m8c n LYS 55 Cb 0.59 -1.18 0.80 0.00 -0.00 0.00 0.00 35.03 35.24 1m8c n LYS 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40