#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 2.56 -3.78 1.96 0.00 -1.26 -4.99 120.51 115.00 1m8c n ALA 2 Ca 0.00 -3.25 -0.26 0.00 0.00 0.00 0.00 53.44 49.93 1m8c n ALA 2 Cb 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 0.13 -2.76 -2.23 0.00 0.00 -1.26 -4.97 120.51 109.42 1m8c n ALA 3 Ca 0.18 -0.30 -0.13 0.00 0.00 0.00 0.00 53.44 53.19 1m8c n ALA 3 Cb 0.73 -1.08 -0.10 0.00 0.00 0.00 0.00 19.45 19.00 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 -3.07 0.32 0.00 0.00 0.11 -1.26 -5.17 120.40 111.33 1m8c s VAL 4 Ca 0.08 -1.98 0.00 0.00 -2.93 0.00 0.00 61.98 57.15 1m8c s VAL 4 Cb -0.04 -2.36 0.00 0.00 -1.53 0.00 0.00 36.38 32.45 1m8c s VAL 4 CO 0.90 -0.20 0.00 -0.24 -3.33 0.00 0.00 175.10 172.22 1m8c n SER 5 N -0.28 0.00 -4.44 3.54 2.88 -1.26 -4.95 113.62 109.11 1m8c n SER 5 Ca -0.02 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.19 1m8c n SER 5 Cb 0.65 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.98 1m8c n SER 5 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1m8c s VAL 6 N -2.00 3.55 -0.25 2.46 1.01 -1.26 -5.06 120.40 118.85 1m8c s VAL 6 Ca 0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 1m8c s VAL 6 Cb 0.00 -2.54 0.03 0.00 0.00 0.00 0.00 36.38 33.87 1m8c s VAL 6 CO 0.00 0.50 -0.06 -0.62 0.00 0.00 0.00 175.10 174.92 1m8c s ASP 7 N 0.42 4.32 -0.50 3.32 -1.08 -1.26 -4.97 116.67 116.92 1m8c s ASP 7 Ca -0.06 -0.90 0.03 0.00 -0.52 0.00 0.00 52.55 51.09 1m8c s ASP 7 Cb -0.15 -1.66 0.53 0.00 -1.46 0.00 0.00 42.92 40.18 1m8c s ASP 7 CO 0.04 -0.13 1.81 0.00 0.52 0.00 0.00 175.17 177.40 1m8c h SER 9 N 1.56 0.08 -1.95 0.00 0.87 -2.02 -3.37 113.55 108.72 1m8c h SER 9 Ca 0.53 -0.11 -0.55 0.00 -1.23 0.00 0.00 61.79 60.43 1m8c h SER 9 Cb 1.66 -0.03 -0.41 0.00 -0.44 0.00 0.00 62.40 63.18 1m8c h SER 9 CO 1.15 1.09 -0.81 -1.84 -0.53 0.00 0.00 176.83 175.89 1m8c n GLU 10 N -3.29 2.69 -2.84 2.24 0.28 -1.26 -4.91 120.64 113.55 1m8c n GLU 10 Ca -0.08 -4.37 0.00 0.00 -0.16 0.00 0.00 57.16 52.55 1m8c n GLU 10 Cb 0.99 -2.06 0.01 0.00 1.43 0.00 0.00 31.44 31.81 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 -3.27 -0.71 0.21 -1.84 2.02 -1.26 -5.09 117.35 107.41 1m8c s TYR 11 Ca 0.45 0.03 -0.30 0.00 -0.37 0.00 0.00 57.07 56.88 1m8c s TYR 11 Cb 0.34 0.13 -0.08 0.00 -0.40 0.00 0.00 41.96 41.95 1m8c s TYR 11 CO -0.12 -0.50 1.11 -1.25 -1.57 0.00 0.00 175.55 173.22 1m8c s PRO 12 N 1.70 4.60 0.51 -1.71 0.04 -1.26 -4.89 135.00 133.99 1m8c s PRO 12 Ca 0.17 1.76 0.30 0.00 0.04 0.00 0.00 61.00 63.28 1m8c s PRO 12 Cb 0.03 -3.25 1.66 0.00 0.04 0.00 0.00 34.50 32.98 1m8c s PRO 12 CO -0.12 0.10 1.92 1.57 0.04 0.00 0.00 177.00 180.51 1m8c h LYS 13 N 4.73 0.00 0.00 4.56 -0.00 -1.96 1.05 116.57 124.95 1m8c h LYS 13 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.20 1m8c h LYS 13 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.44 1m8c h LYS 13 CO 0.71 0.00 -0.01 0.22 -0.00 0.00 0.00 179.45 180.37 1m8c h ASP 14 N 0.00 0.00 0.00 7.07 3.58 -2.00 -3.44 116.42 121.63 1m8c h ASP 14 Ca 0.00 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1m8c h ASP 14 Cb 0.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.25 1m8c h ASP 14 CO 0.00 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.36 1m8c n ALA 15 N -1.94 0.00 -2.61 -0.78 0.00 0.36 -5.04 120.51 110.50 1m8c n ALA 15 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.45 1m8c n ALA 15 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 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 1.89 0.00 -0.28 0.00 -1.04 -1.26 -4.77 114.28 108.83 1m8c n THR 17 Ca -0.27 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 61.80 1m8c n THR 17 Cb 0.42 0.00 0.29 0.00 -1.82 0.00 0.00 70.33 69.22 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 4.22 -4.75 -4.42 -0.00 -1.26 -4.94 117.00 105.85 1m8c n LEU 18 Ca 0.00 -2.14 -0.41 0.00 -0.00 0.00 0.00 56.01 53.46 1m8c n LEU 18 Cb 0.00 -0.58 -0.02 0.00 -0.00 0.00 0.00 43.42 42.81 1m8c n LEU 18 CO 0.00 0.58 1.08 -1.83 -0.00 0.00 0.00 177.39 177.21 1m8c s GLU 19 N -2.10 4.29 -0.16 1.47 1.03 -1.26 -5.01 118.70 116.97 1m8c s GLU 19 Ca 0.40 2.27 0.00 0.00 0.03 0.00 0.00 54.97 57.68 1m8c s GLU 19 Cb 0.29 -3.11 0.02 0.00 -0.80 0.00 0.00 34.13 30.53 1m8c s GLU 19 CO 0.15 -0.37 -0.15 -0.47 -1.33 0.00 0.00 175.26 173.09 1m8c s TYR 20 N -0.16 2.25 -0.21 4.83 6.14 -1.26 -4.90 117.35 124.04 1m8c s TYR 20 Ca 0.58 -1.29 -0.04 0.00 0.64 0.00 0.00 57.07 56.95 1m8c s TYR 20 Cb -0.41 -1.63 0.07 0.00 0.42 0.00 0.00 41.96 40.41 1m8c s TYR 20 CO 0.44 -0.69 0.09 1.03 0.64 0.00 0.00 175.55 177.06 1m8c s ARG 21 N 1.46 0.29 0.43 4.97 1.81 0.14 -4.98 118.95 123.07 1m8c s ARG 21 Ca 0.05 -0.34 -0.23 0.00 -1.72 0.00 0.00 55.73 53.48 1m8c s ARG 21 Cb -0.13 -1.77 -0.09 0.00 -0.45 0.00 0.00 34.95 32.51 1m8c s ARG 21 CO -0.11 -0.76 1.05 -1.25 -0.68 0.00 0.00 175.30 173.55 1m8c s PRO 22 N 2.02 4.05 0.28 3.54 0.04 -0.96 -1.85 135.00 142.12 1m8c s PRO 22 Ca 0.03 1.48 -0.21 0.00 0.04 0.00 0.00 61.00 62.34 1m8c s PRO 22 Cb -0.16 -2.41 0.02 0.00 0.04 0.00 0.00 34.50 31.99 1m8c s PRO 22 CO -0.16 -0.24 0.72 -0.48 0.04 0.00 0.00 177.00 176.88 1m8c s LEU 23 N -2.89 -0.25 0.11 -3.56 2.34 -0.56 0.86 118.68 114.73 1m8c s LEU 23 Ca 0.61 -0.63 0.08 0.00 0.06 0.00 0.00 54.13 54.25 1m8c s LEU 23 Cb -0.21 2.73 -0.04 0.00 -0.56 0.00 0.00 46.19 48.12 1m8c s LEU 23 CO 0.26 -1.36 -0.20 0.00 -1.06 0.00 0.00 176.35 173.98 1m8c s GLY 25 N -1.97 1.71 0.64 0.00 0.00 0.14 -0.50 107.32 107.34 1m8c s GLY 25 Ca 0.07 -1.61 0.40 0.00 0.00 0.00 0.00 44.72 43.57 1m8c s GLY 25 CO 0.04 -1.56 2.34 0.23 0.00 0.00 0.00 173.10 174.15 1m8c h SER 26 N 1.32 0.00 0.57 1.64 0.87 -1.33 0.67 113.55 117.29 1m8c h SER 26 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 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 -0.15 -0.90 -0.53 0.00 0.00 176.83 175.84 1m8c n ASP 27 N -3.33 0.32 -0.26 6.23 5.75 -1.26 -4.90 116.55 119.11 1m8c n ASP 27 Ca -0.03 -0.19 0.00 0.00 -0.01 0.00 0.00 54.79 54.56 1m8c n ASP 27 Cb 0.08 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 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 -1.23 -1.35 -4.80 -1.12 2.85 0.23 -5.05 115.26 104.79 1m8c n ASN 28 Ca 0.11 0.00 -0.36 0.00 -0.11 0.00 0.00 54.58 54.22 1m8c n ASN 28 Cb 0.30 -0.42 -0.07 0.00 1.24 0.00 0.00 39.78 40.83 1m8c n ASN 28 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1m8c s LYS 29 N -3.94 3.85 -0.31 1.20 2.20 -1.23 -4.82 119.74 116.68 1m8c s LYS 29 Ca 0.00 -0.17 -0.16 0.00 -0.36 0.00 0.00 55.97 55.28 1m8c s LYS 29 Cb 0.00 -3.31 -0.02 0.00 -1.51 0.00 0.00 37.83 32.99 1m8c s LYS 29 CO 0.00 0.52 0.41 0.99 -0.36 0.00 0.00 175.35 176.91 1m8c s THR 30 N -0.28 5.13 0.19 3.43 2.01 -1.26 -0.68 115.64 124.18 1m8c s THR 30 Ca 0.11 0.36 0.07 0.00 0.31 0.00 0.00 61.69 62.54 1m8c s THR 30 Cb -0.11 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 1m8c s THR 30 CO 0.01 -0.02 0.07 -0.31 -0.69 0.00 0.00 174.62 173.68 1m8c s TYR 31 N 2.15 2.96 -0.12 4.92 2.02 0.49 -4.97 117.35 124.79 1m8c s TYR 31 Ca 0.15 -0.10 0.17 0.00 -0.37 0.00 0.00 57.07 56.91 1m8c s TYR 31 Cb -0.16 -1.40 -0.23 0.00 -0.40 0.00 0.00 41.96 39.77 1m8c s TYR 31 CO 0.11 0.53 0.45 0.41 -1.57 0.00 0.00 175.55 175.48 1m8c n GLY 32 N -0.43 -1.05 3.18 0.71 0.00 -1.26 -1.50 105.19 104.85 1m8c n GLY 32 Ca -0.09 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.63 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 -5.63 0.24 0.41 1.61 0.01 -0.77 0.28 114.94 111.09 1m8c s ASN 33 Ca -0.07 -0.80 0.18 0.00 -0.71 0.00 0.00 52.86 51.46 1m8c s ASN 33 Cb 0.08 0.30 0.88 0.00 0.41 0.00 0.00 41.25 42.92 1m8c s ASN 33 CO 0.83 -0.70 1.85 0.07 -1.51 0.00 0.00 177.10 177.64 1m8c h LYS 34 N 2.87 0.00 -0.27 -0.60 -0.00 -1.94 -1.39 116.57 115.23 1m8c h LYS 34 Ca -0.34 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.29 1m8c h LYS 34 Cb 1.18 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.40 1m8c h LYS 34 CO 0.59 0.31 0.08 0.00 -0.00 0.00 0.00 179.45 180.43 1m8c h ASN 36 N 0.28 0.60 0.16 0.00 4.21 -1.89 -0.72 115.58 118.22 1m8c h ASN 36 Ca 0.09 -0.19 -0.01 0.00 1.21 0.00 0.00 56.30 57.40 1m8c h ASN 36 Cb 0.26 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.30 1m8c h ASN 36 CO -0.00 0.80 -0.08 0.15 -1.29 0.00 0.00 177.43 177.01 1m8c h PHE 37 N 0.54 -0.20 -0.02 1.19 3.04 -0.81 -1.57 116.94 119.11 1m8c h PHE 37 Ca 0.08 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.00 1m8c h PHE 37 Cb 0.63 0.07 -0.00 0.00 2.56 0.00 0.00 35.95 39.20 1m8c h PHE 37 CO 0.03 0.01 -0.11 0.00 -2.02 0.00 0.00 178.31 176.22 1m8c h ASN 39 N 0.03 0.84 0.35 0.00 -0.73 -0.61 -1.37 115.58 114.10 1m8c h ASN 39 Ca 0.01 -0.10 -0.17 0.00 1.87 0.00 0.00 56.30 57.91 1m8c h ASN 39 Cb 0.22 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.59 1m8c h ASN 39 CO 0.02 0.70 -0.70 0.00 -0.37 0.00 0.00 177.43 177.07 1m8c h ALA 40 N 1.18 0.68 -0.52 1.57 0.00 -0.27 -3.09 119.26 118.82 1m8c h ALA 40 Ca 0.24 -0.60 0.06 0.00 0.00 0.00 0.00 54.91 54.61 1m8c h ALA 40 Cb 0.04 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1m8c h ALA 40 CO -0.04 0.78 0.22 0.28 0.00 0.00 0.00 179.25 180.49 1m8c h VAL 41 N 0.21 0.88 -0.59 0.00 2.07 -0.29 0.37 116.25 118.89 1m8c h VAL 41 Ca -0.02 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1m8c h VAL 41 Cb 1.26 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1m8c h VAL 41 CO 0.11 0.08 0.39 0.58 0.02 0.00 0.00 177.57 178.76 1m8c h VAL 42 N 0.43 1.12 0.00 2.57 2.07 -1.21 0.82 116.25 122.06 1m8c h VAL 42 Ca 0.24 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1m8c h VAL 42 Cb 0.22 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1m8c h VAL 42 CO -0.21 0.14 0.00 -0.08 0.02 0.00 0.00 177.57 177.44 1m8c h GLU 43 N 0.76 0.00 -0.87 1.57 4.81 -0.82 -2.93 114.58 117.09 1m8c h GLU 43 Ca 0.23 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.27 1m8c h GLU 43 Cb -0.01 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.25 1m8c h GLU 43 CO -0.06 0.00 0.24 0.43 -0.73 0.00 0.00 179.01 178.90 1m8c n SER 44 N -2.99 3.85 0.00 1.04 7.64 0.11 -4.81 113.62 118.45 1m8c n SER 44 Ca 0.03 -2.88 0.00 0.00 1.01 0.00 0.00 58.87 57.03 1m8c n SER 44 Cb 0.44 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 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 -0.14 -3.86 -0.15 6.43 4.13 -1.11 -1.67 115.26 118.89 1m8c n ASN 45 Ca 0.31 0.00 -0.02 0.00 1.68 0.00 0.00 54.58 56.55 1m8c n ASN 45 Cb 1.12 -1.97 -0.01 0.00 -1.54 0.00 0.00 39.78 37.38 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 -1.06 0.55 0.12 7.41 0.00 0.26 -4.91 105.19 107.57 1m8c n GLY 46 Ca 0.00 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.22 1m8c n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1m8c n THR 47 N -2.88 1.60 -1.29 2.61 -2.24 -0.67 -4.96 114.28 106.44 1m8c n THR 47 Ca -0.02 -0.34 -0.43 0.00 -2.27 0.00 0.00 64.05 61.00 1m8c n THR 47 Cb 0.09 -1.85 -0.01 0.00 -2.10 0.00 0.00 70.33 66.46 1m8c n THR 47 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1m8c n LEU 48 N -4.00 -2.23 0.00 3.22 0.00 -1.24 -4.97 117.00 107.78 1m8c n LEU 48 Ca -0.39 0.89 -0.11 0.00 0.00 0.00 0.00 56.01 56.40 1m8c n LEU 48 Cb 0.86 -0.87 -0.03 0.00 0.00 0.00 0.00 43.42 43.38 1m8c n LEU 48 CO 0.23 -3.65 -0.08 0.35 0.00 0.00 0.00 177.39 174.24 1m8c n THR 49 N -0.64 0.00 -3.63 1.96 -2.24 -1.26 -4.90 114.28 103.56 1m8c n THR 49 Ca 0.13 -0.92 -0.39 0.00 -2.27 0.00 0.00 64.05 60.60 1m8c n THR 49 Cb 0.34 0.26 -0.11 0.00 -2.10 0.00 0.00 70.33 68.71 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 4.29 0.08 3.22 2.96 -1.26 -0.94 118.68 127.02 1m8c s LEU 50 Ca 0.04 -0.64 -0.21 0.00 -0.22 0.00 0.00 54.13 53.10 1m8c s LEU 50 Cb 0.00 -2.01 -0.11 0.00 0.50 0.00 0.00 46.19 44.57 1m8c s LEU 50 CO 0.03 -0.25 1.57 -1.28 -1.32 0.00 0.00 176.35 175.10 1m8c h SER 51 N 8.38 0.26 -5.58 3.68 0.87 -0.94 -3.44 113.55 116.77 1m8c h SER 51 Ca -0.30 -0.23 0.25 0.00 -1.23 0.00 0.00 61.79 60.28 1m8c h SER 51 Cb 1.14 -0.07 -0.08 0.00 -0.44 0.00 0.00 62.40 62.95 1m8c h SER 51 CO 0.63 0.42 0.70 -1.38 -0.53 0.00 0.00 176.83 176.66 1m8c s HIS 52 N -5.30 -0.02 0.88 2.24 0.00 -1.16 -3.66 115.29 108.28 1m8c s HIS 52 Ca -0.14 -0.22 -0.13 0.00 -3.00 0.00 0.00 55.06 51.57 1m8c s HIS 52 Cb 0.07 0.61 0.14 0.00 -4.00 0.00 0.00 32.58 29.40 1m8c s HIS 52 CO 0.71 -0.58 1.23 -0.06 -1.00 0.00 0.00 174.74 175.04 1m8c s PHE 53 N -2.48 2.20 0.31 0.38 0.08 -1.26 -0.83 117.98 116.37 1m8c s PHE 53 Ca 0.19 0.46 0.00 0.00 0.12 0.00 0.00 56.93 57.70 1m8c s PHE 53 Cb 0.00 -3.78 0.00 0.00 -0.57 0.00 0.00 43.02 38.68 1m8c s PHE 53 CO 0.01 -2.20 0.00 0.41 -0.10 0.00 0.00 175.22 173.34 1m8c n GLY 54 N -3.50 -1.65 3.13 4.36 0.00 0.25 -4.45 105.19 103.33 1m8c n GLY 54 Ca 0.12 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.44 -0.05 0.00 1.61 2.85 -1.26 -2.83 118.16 115.05 1m8c n LYS 55 Ca -0.02 -0.00 0.14 0.00 -1.05 0.00 0.00 58.31 57.38 1m8c n LYS 55 Cb 0.62 -1.22 0.85 0.00 -0.65 0.00 0.00 35.03 34.63 1m8c n LYS 55 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35