#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 4.52 -0.30 1.47 0.00 -1.26 -4.92 121.76 121.27 1m8c s ALA 2 Ca 0.00 -3.79 -0.17 0.00 0.00 0.00 0.00 51.96 48.01 1m8c s ALA 2 Cb 0.00 -3.33 0.18 0.00 0.00 0.00 0.00 23.12 19.97 1m8c s ALA 2 CO 0.00 -2.19 1.13 0.00 0.00 0.00 0.00 175.76 174.70 1m8c s ALA 3 N -1.14 -2.91 0.28 0.00 0.00 -1.26 -5.18 121.76 111.56 1m8c s ALA 3 Ca 0.28 1.95 0.11 0.00 0.00 0.00 0.00 51.96 54.31 1m8c s ALA 3 Cb -0.10 -2.12 -0.05 0.00 0.00 0.00 0.00 23.12 20.86 1m8c s ALA 3 CO -0.09 -0.86 -0.14 0.08 0.00 0.00 0.00 175.76 174.75 1m8c s VAL 4 N 2.08 2.72 -0.26 0.00 1.01 -1.26 -5.14 120.40 119.54 1m8c s VAL 4 Ca -0.02 -2.26 -0.13 0.00 0.00 0.00 0.00 61.98 59.57 1m8c s VAL 4 Cb -0.03 -2.48 0.09 0.00 0.00 0.00 0.00 36.38 33.96 1m8c s VAL 4 CO -0.16 -0.37 0.62 -0.94 0.00 0.00 0.00 175.10 174.25 1m8c s SER 5 N -3.57 -0.89 -0.39 3.32 1.04 -1.26 -4.58 113.70 107.37 1m8c s SER 5 Ca 0.31 1.41 -0.14 0.00 0.48 0.00 0.00 55.95 58.00 1m8c s SER 5 Cb -0.05 1.53 0.01 0.00 0.10 0.00 0.00 66.02 67.61 1m8c s SER 5 CO 0.17 -0.23 0.28 0.68 0.98 0.00 0.00 173.24 175.12 1m8c s VAL 6 N 1.98 5.25 0.07 5.02 -7.23 -1.26 -5.06 120.40 119.18 1m8c s VAL 6 Ca -0.08 -0.53 -0.25 0.00 -1.81 0.00 0.00 61.98 59.31 1m8c s VAL 6 Cb -0.08 -3.86 -0.06 0.00 0.56 0.00 0.00 36.38 32.94 1m8c s VAL 6 CO -0.18 -0.22 0.75 1.51 -0.31 0.00 0.00 175.10 176.65 1m8c s ASP 7 N 1.69 7.24 -0.26 4.85 1.47 -1.26 -4.90 116.67 125.49 1m8c s ASP 7 Ca 0.05 1.47 0.08 0.00 1.18 0.00 0.00 52.55 55.33 1m8c s ASP 7 Cb -0.19 -2.47 0.61 0.00 -0.34 0.00 0.00 42.92 40.54 1m8c s ASP 7 CO 0.10 0.08 1.60 0.00 0.68 0.00 0.00 175.17 177.63 1m8c n SER 9 N -0.05 0.54 -0.08 0.00 7.64 -1.26 -4.19 113.62 116.22 1m8c n SER 9 Ca 0.33 0.25 -0.10 0.00 1.01 0.00 0.00 58.87 60.37 1m8c n SER 9 Cb 1.20 0.35 -0.15 0.00 -1.01 0.00 0.00 64.21 64.59 1m8c n SER 9 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1m8c n GLU 10 N -2.93 0.67 -3.92 1.43 -0.58 -1.25 -4.72 120.64 109.34 1m8c n GLU 10 Ca -0.23 0.08 -0.30 0.00 -0.42 0.00 0.00 57.16 56.29 1m8c n GLU 10 Cb 1.09 -1.60 -0.14 0.00 -0.57 0.00 0.00 31.44 30.22 1m8c n GLU 10 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1m8c s TYR 11 N -2.52 3.09 0.65 -0.32 1.51 -1.26 -5.08 117.35 113.43 1m8c s TYR 11 Ca -0.08 -3.12 -0.13 0.00 -1.01 0.00 0.00 57.07 52.73 1m8c s TYR 11 Cb 0.07 -2.70 -0.01 0.00 -0.11 0.00 0.00 41.96 39.20 1m8c s TYR 11 CO 0.83 -0.72 1.05 -1.25 -1.11 0.00 0.00 175.55 174.35 1m8c s PRO 12 N -0.36 3.14 0.53 -1.71 0.04 -1.26 -4.61 135.00 130.76 1m8c s PRO 12 Ca 0.18 1.05 0.32 0.00 0.04 0.00 0.00 61.00 62.59 1m8c s PRO 12 Cb -0.23 -2.01 1.76 0.00 0.04 0.00 0.00 34.50 34.05 1m8c s PRO 12 CO -0.02 -0.94 1.98 -0.22 0.04 0.00 0.00 177.00 177.84 1m8c h LYS 13 N -0.20 0.00 -0.47 4.56 3.11 -1.91 0.92 116.57 122.59 1m8c h LYS 13 Ca -0.45 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.39 1m8c h LYS 13 Cb 1.21 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.44 1m8c h LYS 13 CO 0.57 0.00 0.00 -3.47 -2.81 0.00 0.00 179.45 173.74 1m8c n ASP 14 N -2.71 2.18 -3.42 4.20 -0.08 -1.26 -4.31 116.55 111.16 1m8c n ASP 14 Ca -0.02 -2.12 -0.26 0.00 -1.51 0.00 0.00 54.79 50.88 1m8c n ASP 14 Cb 0.14 -0.32 -0.09 0.00 2.34 0.00 0.00 41.12 43.19 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 0.44 3.00 -3.25 -1.67 0.00 0.32 -5.01 120.51 114.34 1m8c n ALA 15 Ca 0.12 -3.69 -0.04 0.00 0.00 0.00 0.00 53.44 49.83 1m8c n ALA 15 Cb 0.39 -0.84 -0.04 0.00 0.00 0.00 0.00 19.45 18.97 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 5.38 0.00 -0.65 0.00 -2.24 -1.26 -4.94 114.28 110.57 1m8c n THR 17 Ca 0.02 0.00 0.50 0.00 -2.27 0.00 0.00 64.05 62.30 1m8c n THR 17 Cb 0.51 0.00 0.79 0.00 -2.10 0.00 0.00 70.33 69.53 1m8c n THR 17 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1m8c h LEU 18 N 0.00 0.05 -8.51 3.22 5.85 -2.04 -3.32 115.31 110.55 1m8c h LEU 18 Ca 0.00 0.04 -0.47 0.00 0.84 0.00 0.00 57.88 58.29 1m8c h LEU 18 Cb 0.00 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1m8c h LEU 18 CO 0.00 -0.06 1.38 -1.61 -0.34 0.00 0.00 178.44 177.81 1m8c s GLU 19 N -4.96 2.45 -0.11 1.25 8.01 -1.26 -4.94 118.70 119.14 1m8c s GLU 19 Ca -0.06 0.79 0.02 0.00 0.01 0.00 0.00 54.97 55.74 1m8c s GLU 19 Cb 0.28 -4.48 -0.01 0.00 -4.31 0.00 0.00 34.13 25.61 1m8c s GLU 19 CO 0.88 -2.95 -0.20 -0.47 0.01 0.00 0.00 175.26 172.53 1m8c s TYR 20 N 10.13 2.67 -0.17 1.61 6.14 -1.25 -4.92 117.35 131.56 1m8c s TYR 20 Ca 0.76 -0.91 -0.04 0.00 0.64 0.00 0.00 57.07 57.53 1m8c s TYR 20 Cb -0.14 -1.77 0.08 0.00 0.42 0.00 0.00 41.96 40.55 1m8c s TYR 20 CO 0.21 -0.35 0.21 1.03 0.64 0.00 0.00 175.55 177.29 1m8c s ARG 21 N 0.38 0.14 0.34 4.97 0.52 0.13 -5.00 118.95 120.44 1m8c s ARG 21 Ca -0.15 0.34 -0.26 0.00 -0.52 0.00 0.00 55.73 55.14 1m8c s ARG 21 Cb -0.17 -0.88 -0.09 0.00 0.52 0.00 0.00 34.95 34.33 1m8c s ARG 21 CO 0.07 -0.53 1.07 -1.25 0.02 0.00 0.00 175.30 174.68 1m8c s PRO 22 N 2.32 4.38 0.19 3.54 0.04 -1.23 -0.92 135.00 143.32 1m8c s PRO 22 Ca 0.05 1.63 -0.01 0.00 0.04 0.00 0.00 61.00 62.71 1m8c s PRO 22 Cb -0.14 -2.84 -0.04 0.00 0.04 0.00 0.00 34.50 31.52 1m8c s PRO 22 CO -0.10 0.02 0.13 -0.51 0.04 0.00 0.00 177.00 176.59 1m8c s LEU 23 N -2.10 1.20 -0.05 -3.56 1.02 0.50 0.10 118.68 115.80 1m8c s LEU 23 Ca 0.52 -1.35 0.02 0.00 0.02 0.00 0.00 54.13 53.33 1m8c s LEU 23 Cb -0.26 0.41 0.01 0.00 0.02 0.00 0.00 46.19 46.37 1m8c s LEU 23 CO 0.33 -0.84 -0.09 0.00 0.02 0.00 0.00 176.35 175.78 1m8c s GLY 25 N 0.61 1.36 0.64 0.00 0.00 0.17 0.23 107.32 110.32 1m8c s GLY 25 Ca -0.11 -0.95 0.39 0.00 0.00 0.00 0.00 44.72 44.05 1m8c s GLY 25 CO 0.02 -0.88 2.31 0.23 0.00 0.00 0.00 173.10 174.78 1m8c h SER 26 N 0.74 0.00 0.23 1.64 0.87 -0.86 0.80 113.55 116.98 1m8c h SER 26 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 1m8c h SER 26 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1m8c h SER 26 CO 0.61 0.00 -0.12 -0.90 -0.53 0.00 0.00 176.83 175.89 1m8c n ASP 27 N -3.34 0.74 -0.22 6.23 5.75 -1.26 -4.89 116.55 119.56 1m8c n ASP 27 Ca -0.03 -0.85 0.00 0.00 -0.01 0.00 0.00 54.79 53.91 1m8c n ASP 27 Cb 0.10 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 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 -0.69 -1.30 -4.77 -1.12 2.85 0.28 -5.04 115.26 105.47 1m8c n ASN 28 Ca 0.16 0.00 -0.38 0.00 -0.11 0.00 0.00 54.58 54.25 1m8c n ASN 28 Cb 0.29 -0.43 -0.06 0.00 1.24 0.00 0.00 39.78 40.82 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 -3.96 4.18 -0.51 1.20 2.20 -1.22 -4.80 119.74 116.83 1m8c s LYS 29 Ca 0.00 0.44 -0.18 0.00 -0.36 0.00 0.00 55.97 55.86 1m8c s LYS 29 Cb 0.00 -3.35 0.07 0.00 -1.51 0.00 0.00 37.83 33.04 1m8c s LYS 29 CO 0.00 0.38 0.57 0.99 -0.36 0.00 0.00 175.35 176.93 1m8c s THR 30 N -0.09 4.97 0.41 3.43 2.01 -1.26 -0.66 115.64 124.45 1m8c s THR 30 Ca 0.25 -0.71 -0.01 0.00 0.31 0.00 0.00 61.69 61.53 1m8c s THR 30 Cb -0.16 -4.27 -0.02 0.00 0.01 0.00 0.00 72.50 68.06 1m8c s THR 30 CO 0.12 -0.78 0.64 -0.31 -0.69 0.00 0.00 174.62 173.59 1m8c s TYR 31 N 2.36 3.39 -0.31 4.92 2.02 0.15 -4.92 117.35 124.96 1m8c s TYR 31 Ca 0.12 0.37 0.10 0.00 -0.37 0.00 0.00 57.07 57.29 1m8c s TYR 31 Cb -0.21 -2.14 -0.12 0.00 -0.40 0.00 0.00 41.96 39.08 1m8c s TYR 31 CO 0.10 -0.15 0.35 0.41 -1.57 0.00 0.00 175.55 174.68 1m8c n GLY 32 N -1.99 -0.09 2.80 0.71 0.00 -1.26 -1.50 105.19 103.85 1m8c n GLY 32 Ca -0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 1m8c n GLY 32 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1m8c n ASN 33 N -1.43 -1.25 0.14 1.61 5.15 -0.10 0.22 115.26 119.60 1m8c n ASN 33 Ca 0.01 -1.64 -0.00 0.00 -0.60 0.00 0.00 54.58 52.34 1m8c n ASN 33 Cb 0.19 2.02 0.17 0.00 -0.53 0.00 0.00 39.78 41.63 1m8c n ASN 33 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1m8c h LYS 34 N 0.00 0.00 -0.26 1.20 1.79 -1.94 -1.45 116.57 115.91 1m8c h LYS 34 Ca -0.20 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.15 1m8c h LYS 34 Cb 0.87 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.52 1m8c h LYS 34 CO 0.26 0.60 -0.33 0.00 -1.08 0.00 0.00 179.45 178.90 1m8c h ASN 36 N 0.41 0.90 -0.25 0.00 -0.73 -1.91 0.26 115.58 114.25 1m8c h ASN 36 Ca 0.03 -0.23 -0.12 0.00 1.87 0.00 0.00 56.30 57.85 1m8c h ASN 36 Cb 0.91 -0.24 -0.00 0.00 0.27 0.00 0.00 38.32 39.26 1m8c h ASN 36 CO 0.08 0.96 -0.30 0.15 -0.37 0.00 0.00 177.43 177.94 1m8c h PHE 37 N 0.86 0.79 0.00 0.67 3.04 -1.12 -2.22 116.94 118.95 1m8c h PHE 37 Ca 0.16 -0.25 -0.07 0.00 3.98 0.00 0.00 57.97 61.79 1m8c h PHE 37 Cb 0.50 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.84 1m8c h PHE 37 CO 0.03 0.98 -0.33 0.00 -2.02 0.00 0.00 178.31 176.98 1m8c h ASN 39 N 0.00 0.41 -0.20 0.00 -1.24 -0.24 0.66 115.58 114.97 1m8c h ASN 39 Ca -0.00 -0.28 -0.18 0.00 0.71 0.00 0.00 56.30 56.54 1m8c h ASN 39 Cb 0.67 -0.11 0.01 0.00 0.73 0.00 0.00 38.32 39.62 1m8c h ASN 39 CO 0.04 0.59 -0.59 0.00 -1.29 0.00 0.00 177.43 176.18 1m8c h ALA 40 N 0.84 0.34 -0.69 1.57 0.00 -1.05 -2.82 119.26 117.46 1m8c h ALA 40 Ca 0.08 -0.53 0.07 0.00 0.00 0.00 0.00 54.91 54.52 1m8c h ALA 40 Cb 0.36 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1m8c h ALA 40 CO 0.01 0.59 0.37 0.28 0.00 0.00 0.00 179.25 180.50 1m8c h VAL 41 N 0.49 0.93 -0.85 0.00 2.07 -0.47 0.67 116.25 119.09 1m8c h VAL 41 Ca -0.02 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.29 1m8c h VAL 41 Cb 1.22 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 1m8c h VAL 41 CO 0.13 0.12 0.56 1.62 0.02 0.00 0.00 177.57 180.02 1m8c h VAL 42 N 0.67 1.20 0.00 2.57 3.04 -0.80 0.20 116.25 123.13 1m8c h VAL 42 Ca 0.32 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 1m8c h VAL 42 Cb 0.25 -0.03 0.00 0.00 -2.01 0.00 0.00 31.29 29.50 1m8c h VAL 42 CO -0.21 0.21 0.00 -0.08 -1.01 0.00 0.00 177.57 176.47 1m8c h GLU 43 N 1.13 0.00 0.00 4.17 4.81 -0.68 -1.78 114.58 122.23 1m8c h GLU 43 Ca 0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1m8c h GLU 43 Cb -0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1m8c h GLU 43 CO -0.08 0.00 -0.90 0.43 -0.73 0.00 0.00 179.01 177.73 1m8c n SER 44 N -2.75 0.64 0.00 1.04 7.64 0.54 -4.93 113.62 115.81 1m8c n SER 44 Ca 0.01 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1m8c n SER 44 Cb 0.27 0.57 0.00 0.00 -1.01 0.00 0.00 64.21 64.05 1m8c n SER 44 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1m8c n ASN 45 N -2.06 -0.65 0.00 6.43 2.85 -0.27 -3.53 115.26 118.03 1m8c n ASN 45 Ca 0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.49 1m8c n ASN 45 Cb 0.45 -0.11 0.00 0.00 1.24 0.00 0.00 39.78 41.36 1m8c n ASN 45 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1m8c n GLY 46 N -2.22 1.06 0.10 8.20 0.00 -0.48 -4.98 105.19 106.87 1m8c n GLY 46 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.87 1.56 -1.80 2.61 -2.24 -1.23 -4.92 114.28 106.38 1m8c n THR 47 Ca 0.00 -0.78 -0.41 0.00 -2.27 0.00 0.00 64.05 60.59 1m8c n THR 47 Cb 0.00 -0.98 -0.00 0.00 -2.10 0.00 0.00 70.33 67.24 1m8c n THR 47 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1m8c s LEU 48 N -6.07 4.32 0.43 3.22 0.20 -1.26 -5.01 118.68 114.52 1m8c s LEU 48 Ca -0.11 3.03 0.04 0.00 0.69 0.00 0.00 54.13 57.79 1m8c s LEU 48 Cb 0.07 -3.66 -0.05 0.00 -0.43 0.00 0.00 46.19 42.12 1m8c s LEU 48 CO 0.80 -0.88 0.03 0.42 -0.29 0.00 0.00 176.35 176.43 1m8c s THR 49 N -0.94 1.43 -0.39 3.68 -4.23 -1.26 -4.93 115.64 109.00 1m8c s THR 49 Ca 0.54 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.92 1m8c s THR 49 Cb -0.47 -2.60 0.02 0.00 1.34 0.00 0.00 72.50 70.79 1m8c s THR 49 CO 0.61 0.00 0.26 -0.22 -0.54 0.00 0.00 174.62 174.72 1m8c s LEU 50 N -3.73 4.91 0.15 4.79 0.20 -1.26 -0.19 118.68 123.55 1m8c s LEU 50 Ca 0.24 -0.90 -0.11 0.00 0.69 0.00 0.00 54.13 54.05 1m8c s LEU 50 Cb 0.06 -2.10 -0.03 0.00 -0.43 0.00 0.00 46.19 43.69 1m8c s LEU 50 CO 0.12 -0.41 1.50 -1.28 -0.29 0.00 0.00 176.35 175.99 1m8c h SER 51 N 8.54 1.00 -5.79 3.68 0.87 -0.38 -3.44 113.55 118.03 1m8c h SER 51 Ca -0.27 -0.44 0.33 0.00 -1.23 0.00 0.00 61.79 60.18 1m8c h SER 51 Cb 1.12 -0.28 -0.07 0.00 -0.44 0.00 0.00 62.40 62.72 1m8c h SER 51 CO 0.70 1.22 0.87 -1.38 -0.53 0.00 0.00 176.83 177.71 1m8c s HIS 52 N -4.51 0.02 0.68 2.24 0.00 -0.82 -4.98 115.29 107.92 1m8c s HIS 52 Ca -0.11 -0.15 -0.01 0.00 -3.00 0.00 0.00 55.06 51.79 1m8c s HIS 52 Cb 0.11 0.57 0.10 0.00 -4.00 0.00 0.00 32.58 29.36 1m8c s HIS 52 CO 0.87 -0.32 0.95 -0.06 -1.00 0.00 0.00 174.74 175.18 1m8c s PHE 53 N -2.10 1.99 0.00 0.38 0.40 -1.26 -0.15 117.98 117.24 1m8c s PHE 53 Ca 0.26 -0.15 0.00 0.00 -0.60 0.00 0.00 56.93 56.44 1m8c s PHE 53 Cb 0.00 -2.96 0.00 0.00 0.51 0.00 0.00 43.02 40.57 1m8c s PHE 53 CO -0.01 -1.50 0.00 0.41 0.70 0.00 0.00 175.22 174.82 1m8c n GLY 54 N -2.73 0.08 3.90 4.36 0.00 0.29 -4.46 105.19 106.62 1m8c n GLY 54 Ca 0.13 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 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 3.55 0.00 1.61 0.00 -1.26 0.19 119.74 123.83 1m8c s LYS 55 Ca 0.00 -0.19 0.12 0.00 0.00 0.00 0.00 55.97 55.90 1m8c s LYS 55 Cb 0.00 -2.98 0.72 0.00 0.00 0.00 0.00 37.83 35.56 1m8c s LYS 55 CO 0.00 0.57 1.15 0.00 0.00 0.00 0.00 175.35 177.07