#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 -2.19 -1.79 1.47 0.00 -1.26 -4.87 120.51 111.88 1m8c n ALA 2 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 53.44 51.76 1m8c n ALA 2 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.35 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 -4.21 -2.29 -3.80 0.00 0.00 -1.26 -5.08 120.51 103.88 1m8c n ALA 3 Ca -0.21 0.36 -0.05 0.00 0.00 0.00 0.00 53.44 53.54 1m8c n ALA 3 Cb 0.58 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.86 1m8c n ALA 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1m8c s VAL 4 N -0.40 0.00 0.13 0.00 0.11 -1.26 -4.95 120.40 114.02 1m8c s VAL 4 Ca 0.00 -0.78 0.00 0.00 -2.93 0.00 0.00 61.98 58.27 1m8c s VAL 4 Cb 0.00 -2.14 0.00 0.00 -1.53 0.00 0.00 36.38 32.71 1m8c s VAL 4 CO 0.00 0.00 0.00 -0.24 -3.33 0.00 0.00 175.10 171.53 1m8c n SER 5 N -0.60 -7.03 -4.69 3.54 2.88 -1.26 -4.96 113.62 101.50 1m8c n SER 5 Ca -0.05 1.03 -0.36 0.00 -1.33 0.00 0.00 58.87 58.16 1m8c n SER 5 Cb 0.60 -3.92 -0.09 0.00 -0.75 0.00 0.00 64.21 60.06 1m8c n SER 5 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1m8c s VAL 6 N -0.38 5.37 0.03 2.46 -7.23 -1.26 -5.06 120.40 114.33 1m8c s VAL 6 Ca 0.00 0.18 -0.30 0.00 -1.81 0.00 0.00 61.98 60.05 1m8c s VAL 6 Cb 0.00 -3.48 -0.04 0.00 0.56 0.00 0.00 36.38 33.42 1m8c s VAL 6 CO 0.00 0.39 1.09 -0.62 -0.31 0.00 0.00 175.10 175.64 1m8c s ASP 7 N 0.74 7.23 -0.35 4.85 -1.08 -1.26 -4.93 116.67 121.86 1m8c s ASP 7 Ca 0.08 1.83 0.09 0.00 -0.52 0.00 0.00 52.55 54.02 1m8c s ASP 7 Cb -0.12 -2.57 0.45 0.00 -1.46 0.00 0.00 42.92 39.21 1m8c s ASP 7 CO 0.02 -0.36 1.13 0.00 0.52 0.00 0.00 175.17 176.47 1m8c n SER 9 N -0.55 0.56 -2.73 0.00 2.88 -1.26 -4.38 113.62 108.13 1m8c n SER 9 Ca 0.35 0.22 -0.15 0.00 -1.33 0.00 0.00 58.87 57.96 1m8c n SER 9 Cb 0.82 0.89 0.01 0.00 -0.75 0.00 0.00 64.21 65.18 1m8c n SER 9 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1m8c n GLU 10 N -2.59 1.69 -2.93 -1.46 0.28 -1.26 -4.96 120.64 109.41 1m8c n GLU 10 Ca -0.04 -3.62 0.01 0.00 -0.16 0.00 0.00 57.16 53.35 1m8c n GLU 10 Cb 0.63 -1.58 0.00 0.00 1.43 0.00 0.00 31.44 31.92 1m8c n GLU 10 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1m8c s TYR 11 N -3.11 -0.99 0.56 -1.84 2.02 -1.26 -5.03 117.35 107.71 1m8c s TYR 11 Ca 0.35 0.07 -0.17 0.00 -0.37 0.00 0.00 57.07 56.94 1m8c s TYR 11 Cb 0.42 0.18 -0.05 0.00 -0.40 0.00 0.00 41.96 42.11 1m8c s TYR 11 CO -0.04 -0.69 1.05 -1.25 -1.57 0.00 0.00 175.55 173.05 1m8c s PRO 12 N 1.74 3.49 0.32 -1.71 0.04 -1.26 -4.80 135.00 132.82 1m8c s PRO 12 Ca 0.17 1.22 0.26 0.00 0.04 0.00 0.00 61.00 62.69 1m8c s PRO 12 Cb 0.01 -2.06 0.84 0.00 0.04 0.00 0.00 34.50 33.33 1m8c s PRO 12 CO -0.11 -0.67 1.76 1.57 0.04 0.00 0.00 177.00 179.59 1m8c h LYS 13 N 0.76 0.00 0.05 4.56 2.10 -1.98 0.18 116.57 122.24 1m8c h LYS 13 Ca -0.47 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 57.94 1m8c h LYS 13 Cb 1.22 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1m8c h LYS 13 CO 0.58 0.00 -1.05 0.38 -2.00 0.00 0.00 179.45 177.36 1m8c h ASP 14 N 0.00 0.42 0.00 7.07 3.04 -2.00 -3.43 116.42 121.52 1m8c h ASP 14 Ca 0.00 -0.38 0.00 0.00 -3.24 0.00 0.00 57.03 53.41 1m8c h ASP 14 Cb 0.66 -0.13 0.00 0.00 -1.04 0.00 0.00 39.33 38.82 1m8c h ASP 14 CO 0.00 1.23 0.00 0.00 -2.04 0.00 0.00 179.24 178.43 1m8c n ALA 15 N -2.52 0.79 -2.05 4.15 0.00 -1.10 -4.92 120.51 114.86 1m8c n ALA 15 Ca -0.07 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.31 1m8c n ALA 15 Cb 0.91 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.35 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 -2.44 0.00 -0.94 0.00 -1.04 -1.26 -3.12 114.28 105.48 1m8c n THR 17 Ca -0.07 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.02 1m8c n THR 17 Cb 0.44 0.00 0.30 0.00 -1.82 0.00 0.00 70.33 69.25 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 4.41 -4.74 -4.42 0.00 -1.26 -5.00 117.00 105.99 1m8c n LEU 18 Ca 0.00 -2.96 -0.41 0.00 0.00 0.00 0.00 56.01 52.64 1m8c n LEU 18 Cb 0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 43.42 42.82 1m8c n LEU 18 CO 0.00 0.67 1.07 -1.61 0.00 0.00 0.00 177.39 177.51 1m8c s GLU 19 N -2.74 4.31 -0.16 1.96 8.01 -1.18 -5.01 118.70 123.89 1m8c s GLU 19 Ca 0.45 2.21 0.00 0.00 0.01 0.00 0.00 54.97 57.65 1m8c s GLU 19 Cb 0.36 -3.15 0.02 0.00 -4.31 0.00 0.00 34.13 27.05 1m8c s GLU 19 CO 0.11 -0.37 -0.15 -0.47 0.01 0.00 0.00 175.26 174.40 1m8c s TYR 20 N 0.11 2.28 -0.20 1.61 5.04 -1.26 -4.87 117.35 120.07 1m8c s TYR 20 Ca 0.59 -1.31 -0.05 0.00 -2.44 0.00 0.00 57.07 53.87 1m8c s TYR 20 Cb -0.40 -1.65 0.07 0.00 0.35 0.00 0.00 41.96 40.33 1m8c s TYR 20 CO 0.41 -0.70 0.12 1.03 -1.34 0.00 0.00 175.55 175.07 1m8c s ARG 21 N 1.45 0.11 0.42 4.97 3.00 0.13 -4.99 118.95 124.04 1m8c s ARG 21 Ca 0.05 -0.12 -0.23 0.00 0.00 0.00 0.00 55.73 55.43 1m8c s ARG 21 Cb -0.13 -1.61 -0.09 0.00 0.00 0.00 0.00 34.95 33.13 1m8c s ARG 21 CO -0.11 -0.73 1.05 -1.25 0.00 0.00 0.00 175.30 174.25 1m8c s PRO 22 N 2.16 4.06 0.26 3.54 0.04 -1.10 -2.65 135.00 141.31 1m8c s PRO 22 Ca 0.04 1.48 -0.20 0.00 0.04 0.00 0.00 61.00 62.36 1m8c s PRO 22 Cb -0.16 -2.42 0.02 0.00 0.04 0.00 0.00 34.50 31.99 1m8c s PRO 22 CO -0.15 -0.23 0.67 -0.48 0.04 0.00 0.00 177.00 176.86 1m8c s LEU 23 N -2.87 -0.23 0.10 -3.56 2.34 -0.59 0.17 118.68 114.05 1m8c s LEU 23 Ca 0.60 -0.55 0.08 0.00 0.06 0.00 0.00 54.13 54.32 1m8c s LEU 23 Cb -0.21 2.59 -0.03 0.00 -0.56 0.00 0.00 46.19 47.98 1m8c s LEU 23 CO 0.26 -1.27 -0.20 0.00 -1.06 0.00 0.00 176.35 174.08 1m8c s GLY 25 N -1.88 1.48 0.55 0.00 0.00 0.47 0.22 107.32 108.16 1m8c s GLY 25 Ca 0.06 -1.46 0.26 0.00 0.00 0.00 0.00 44.72 43.57 1m8c s GLY 25 CO 0.04 -1.51 2.03 0.23 0.00 0.00 0.00 173.10 173.90 1m8c h SER 26 N 1.63 0.00 0.42 1.64 0.87 -1.57 1.34 113.55 117.87 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 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1m8c h SER 26 CO 0.61 0.00 0.00 -0.90 -0.53 0.00 0.00 176.83 176.01 1m8c n ASP 27 N -4.16 0.00 -0.02 6.23 5.75 -1.26 -4.85 116.55 118.23 1m8c n ASP 27 Ca 0.06 -0.23 0.00 0.00 -0.01 0.00 0.00 54.79 54.60 1m8c n ASP 27 Cb 0.47 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 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 -1.24 -0.97 -4.82 -1.12 2.85 0.46 -5.04 115.26 105.39 1m8c n ASN 28 Ca 0.14 0.00 -0.38 0.00 -0.11 0.00 0.00 54.58 54.23 1m8c n ASN 28 Cb 0.19 -0.46 -0.06 0.00 1.24 0.00 0.00 39.78 40.69 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 -3.81 4.11 -0.25 1.20 1.02 -1.20 -4.80 119.74 116.01 1m8c s LYS 29 Ca 0.00 0.63 -0.10 0.00 0.02 0.00 0.00 55.97 56.52 1m8c s LYS 29 Cb 0.00 -3.24 -0.04 0.00 -0.52 0.00 0.00 37.83 34.03 1m8c s LYS 29 CO 0.00 0.64 0.14 0.99 -0.92 0.00 0.00 175.35 176.20 1m8c s THR 30 N -1.04 5.06 0.22 2.17 2.01 -1.26 -0.40 115.64 122.40 1m8c s THR 30 Ca 0.27 0.08 0.10 0.00 0.31 0.00 0.00 61.69 62.46 1m8c s THR 30 Cb -0.18 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 1m8c s THR 30 CO 0.17 0.32 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.96 1m8c s TYR 31 N 1.36 2.46 -0.08 4.92 2.02 0.21 -4.99 117.35 123.25 1m8c s TYR 31 Ca 0.07 -0.29 0.13 0.00 -0.37 0.00 0.00 57.07 56.60 1m8c s TYR 31 Cb -0.15 -1.16 -0.18 0.00 -0.40 0.00 0.00 41.96 40.07 1m8c s TYR 31 CO 0.06 0.57 0.15 0.41 -1.57 0.00 0.00 175.55 175.18 1m8c n GLY 32 N -0.19 -0.64 3.06 0.71 0.00 -1.26 -1.54 105.19 105.34 1m8c n GLY 32 Ca -0.09 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 1m8c n GLY 32 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1m8c s ASN 33 N -4.20 0.68 0.42 1.61 -0.87 -1.09 0.18 114.94 111.68 1m8c s ASN 33 Ca -0.06 -0.69 0.12 0.00 -1.57 0.00 0.00 52.86 50.66 1m8c s ASN 33 Cb 0.06 0.09 0.91 0.00 -0.02 0.00 0.00 41.25 42.29 1m8c s ASN 33 CO 0.55 -0.34 1.98 0.11 -2.57 0.00 0.00 177.10 176.83 1m8c h LYS 34 N 4.05 0.15 -0.41 -0.60 1.79 -1.91 -1.11 116.57 118.53 1m8c h LYS 34 Ca -0.34 -0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 58.05 1m8c h LYS 34 Cb 1.19 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.80 1m8c h LYS 34 CO 0.49 0.27 0.08 0.00 -1.08 0.00 0.00 179.45 179.21 1m8c h ASN 36 N 0.52 0.71 0.03 0.00 2.35 -1.73 0.22 115.58 117.68 1m8c h ASN 36 Ca 0.13 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1m8c h ASN 36 Cb 0.35 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1m8c h ASN 36 CO 0.01 0.67 -0.01 0.15 -1.65 0.00 0.00 177.43 176.60 1m8c h PHE 37 N 0.76 -0.04 0.00 1.19 3.57 -0.69 -2.15 116.94 119.57 1m8c h PHE 37 Ca 0.17 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1m8c h PHE 37 Cb 0.22 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.97 1m8c h PHE 37 CO 0.01 0.34 -0.14 0.00 -2.23 0.00 0.00 178.31 176.29 1m8c h ASN 39 N 0.00 0.60 0.12 0.00 -1.24 -0.31 -0.23 115.58 114.51 1m8c h ASN 39 Ca -0.00 -0.12 -0.20 0.00 0.71 0.00 0.00 56.30 56.70 1m8c h ASN 39 Cb 0.26 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.15 1m8c h ASN 39 CO 0.02 0.55 -0.74 0.00 -1.29 0.00 0.00 177.43 175.96 1m8c h ALA 40 N 1.08 0.50 -0.47 1.57 0.00 -0.64 -3.02 119.26 118.28 1m8c h ALA 40 Ca 0.16 -0.60 0.06 0.00 0.00 0.00 0.00 54.91 54.53 1m8c h ALA 40 Cb 0.10 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1m8c h ALA 40 CO -0.02 0.73 0.16 0.28 0.00 0.00 0.00 179.25 180.41 1m8c h VAL 41 N 0.37 0.84 -0.20 0.00 2.07 -0.27 0.18 116.25 119.24 1m8c h VAL 41 Ca -0.04 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.37 1m8c h VAL 41 Cb 1.33 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1m8c h VAL 41 CO 0.14 0.06 0.14 0.58 0.02 0.00 0.00 177.57 178.50 1m8c h VAL 42 N 0.34 1.04 0.00 2.57 2.07 -1.01 0.77 116.25 122.03 1m8c h VAL 42 Ca 0.22 -0.09 -0.08 0.00 0.82 0.00 0.00 66.70 67.58 1m8c h VAL 42 Cb 0.23 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1m8c h VAL 42 CO -0.23 0.05 -0.38 -0.08 0.02 0.00 0.00 177.57 176.94 1m8c h GLU 43 N 0.25 0.00 -0.80 1.57 4.22 -0.57 -2.32 114.58 116.94 1m8c h GLU 43 Ca 0.08 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.43 1m8c h GLU 43 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1m8c h GLU 43 CO -0.02 0.38 0.12 0.43 -2.18 0.00 0.00 179.01 177.74 1m8c n SER 44 N -3.72 3.98 0.00 1.04 7.64 0.36 -4.82 113.62 118.10 1m8c n SER 44 Ca -0.01 -2.74 0.00 0.00 1.01 0.00 0.00 58.87 57.13 1m8c n SER 44 Cb 0.47 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 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 0.15 -3.66 0.00 6.43 4.13 -0.87 -1.40 115.26 120.04 1m8c n ASN 45 Ca 0.24 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.50 1m8c n ASN 45 Cb 0.99 -1.91 0.00 0.00 -1.54 0.00 0.00 39.78 37.32 1m8c n ASN 45 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1m8c n GLY 46 N -1.13 0.64 0.12 7.41 0.00 0.24 -4.94 105.19 107.52 1m8c n GLY 46 Ca 0.00 -0.50 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 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 0.99 -1.35 2.61 2.02 -1.35 -3.48 112.91 112.35 1m8c h THR 47 Ca 0.00 -2.31 -0.55 0.00 0.77 0.00 0.00 66.41 64.32 1m8c h THR 47 Cb 0.00 2.56 0.13 0.00 -1.74 0.00 0.00 68.15 69.10 1m8c h THR 47 CO 0.00 0.59 -0.76 -0.11 0.37 0.00 0.00 175.52 175.61 1m8c n LEU 48 N -4.09 -2.24 -4.63 2.58 7.94 -1.26 -4.97 117.00 110.33 1m8c n LEU 48 Ca -0.27 0.77 -0.29 0.00 -1.11 0.00 0.00 56.01 55.11 1m8c n LEU 48 Cb 0.81 -0.79 -0.08 0.00 0.53 0.00 0.00 43.42 43.89 1m8c n LEU 48 CO 0.33 -3.48 -0.23 0.42 -1.11 0.00 0.00 177.39 173.32 1m8c s THR 49 N -1.35 0.94 -0.43 1.96 -4.23 -1.26 -4.92 115.64 106.35 1m8c s THR 49 Ca 0.53 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.93 1m8c s THR 49 Cb -0.61 -2.31 0.07 0.00 1.34 0.00 0.00 72.50 70.98 1m8c s THR 49 CO 0.54 0.00 0.29 -0.22 -0.54 0.00 0.00 174.62 174.69 1m8c s LEU 50 N -3.73 5.21 0.12 4.79 0.20 -1.26 -1.52 118.68 122.48 1m8c s LEU 50 Ca 0.17 -1.36 -0.21 0.00 0.69 0.00 0.00 54.13 53.42 1m8c s LEU 50 Cb 0.03 -2.05 -0.06 0.00 -0.43 0.00 0.00 46.19 43.67 1m8c s LEU 50 CO 0.10 -0.54 1.71 -1.28 -0.29 0.00 0.00 176.35 176.05 1m8c h SER 51 N 8.51 -0.16 -5.43 3.68 0.87 -0.40 -3.42 113.55 117.20 1m8c h SER 51 Ca -0.25 0.05 0.18 0.00 -1.23 0.00 0.00 61.79 60.54 1m8c h SER 51 Cb 1.09 0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 63.10 1m8c h SER 51 CO 0.77 -0.06 0.59 -1.38 -0.53 0.00 0.00 176.83 176.22 1m8c s HIS 52 N -6.19 0.02 0.84 2.24 0.00 -1.09 -4.88 115.29 106.23 1m8c s HIS 52 Ca -0.13 -0.38 -0.10 0.00 -3.00 0.00 0.00 55.06 51.45 1m8c s HIS 52 Cb 0.09 0.68 0.14 0.00 -4.00 0.00 0.00 32.58 29.49 1m8c s HIS 52 CO 0.68 -0.85 1.16 -0.06 -1.00 0.00 0.00 174.74 174.67 1m8c s PHE 53 N -2.41 1.96 0.28 0.38 0.40 -1.26 -0.35 117.98 116.98 1m8c s PHE 53 Ca 0.20 0.22 0.00 0.00 -0.60 0.00 0.00 56.93 56.74 1m8c s PHE 53 Cb -0.02 -3.59 0.00 0.00 0.51 0.00 0.00 43.02 39.92 1m8c s PHE 53 CO 0.04 -2.09 0.00 0.41 0.70 0.00 0.00 175.22 174.28 1m8c n GLY 54 N -3.32 -1.55 3.52 4.36 0.00 0.46 -4.43 105.19 104.23 1m8c n GLY 54 Ca 0.13 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.42 0.50 0.00 1.61 -0.00 -1.26 -2.17 118.16 113.43 1m8c n LYS 55 Ca -0.00 0.21 0.07 0.00 -0.00 0.00 0.00 58.31 58.59 1m8c n LYS 55 Cb 0.63 -1.92 0.42 0.00 -0.00 0.00 0.00 35.03 34.16 1m8c n LYS 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40