#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 5.90 -4.35 -1.18 0.00 -1.26 -4.73 120.51 114.90 1m8c n ALA 2 Ca 0.00 -4.59 -0.39 0.00 0.00 0.00 0.00 53.44 48.47 1m8c n ALA 2 Cb 0.00 -2.34 -0.05 0.00 0.00 0.00 0.00 19.45 17.06 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 0.70 -1.22 -1.39 0.00 0.00 -1.26 -4.36 120.51 112.98 1m8c n ALA 3 Ca 0.43 -0.11 0.17 0.00 0.00 0.00 0.00 53.44 53.93 1m8c n ALA 3 Cb 0.28 -2.92 -0.08 0.00 0.00 0.00 0.00 19.45 16.73 1m8c n ALA 3 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1m8c n VAL 4 N -4.16 -0.47 -2.98 0.00 0.31 -1.26 -4.76 118.33 105.00 1m8c n VAL 4 Ca 0.10 0.69 -0.22 0.00 -0.01 0.00 0.00 64.34 64.90 1m8c n VAL 4 Cb 0.47 -1.14 -0.03 0.00 -0.91 0.00 0.00 33.84 32.23 1m8c n VAL 4 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1m8c n SER 5 N -4.31 2.70 -4.00 4.52 2.88 -1.26 -4.99 113.62 109.16 1m8c n SER 5 Ca -0.06 -3.32 -0.21 0.00 -1.33 0.00 0.00 58.87 53.95 1m8c n SER 5 Cb 0.66 -0.57 -0.16 0.00 -0.75 0.00 0.00 64.21 63.39 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 -3.58 0.80 -0.46 2.46 1.01 -1.26 -5.05 120.40 114.32 1m8c s VAL 6 Ca 0.43 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 1m8c s VAL 6 Cb 0.34 -0.72 0.10 0.00 0.00 0.00 0.00 36.38 36.09 1m8c s VAL 6 CO -0.10 0.25 0.34 -0.62 0.00 0.00 0.00 175.10 174.97 1m8c s ASP 7 N 0.27 5.79 -0.16 3.32 2.15 -1.26 -4.86 116.67 121.91 1m8c s ASP 7 Ca -0.04 -1.67 0.17 0.00 0.43 0.00 0.00 52.55 51.43 1m8c s ASP 7 Cb -0.09 -2.05 0.48 0.00 -0.30 0.00 0.00 42.92 40.96 1m8c s ASP 7 CO 0.01 -0.65 1.37 0.00 -0.17 0.00 0.00 175.17 175.73 1m8c n SER 9 N -0.63 0.49 -0.05 0.00 7.64 -1.26 -4.15 113.62 115.65 1m8c n SER 9 Ca 0.20 0.09 0.02 0.00 1.01 0.00 0.00 58.87 60.19 1m8c n SER 9 Cb 0.83 1.11 -0.01 0.00 -1.01 0.00 0.00 64.21 65.12 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 -2.37 3.83 -3.64 1.43 -0.58 -1.26 -4.85 120.64 113.19 1m8c n GLU 10 Ca -0.01 -0.24 -0.29 0.00 -0.42 0.00 0.00 57.16 56.20 1m8c n GLU 10 Cb 0.53 -0.80 -0.12 0.00 -0.57 0.00 0.00 31.44 30.48 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 -1.03 1.79 0.68 -0.32 2.02 -1.26 -5.09 117.35 114.15 1m8c s TYR 11 Ca 0.02 -2.36 -0.11 0.00 -0.37 0.00 0.00 57.07 54.26 1m8c s TYR 11 Cb 0.03 -1.67 0.00 0.00 -0.40 0.00 0.00 41.96 39.92 1m8c s TYR 11 CO 0.12 -0.78 1.06 -1.25 -1.57 0.00 0.00 175.55 173.13 1m8c s PRO 12 N 0.28 2.99 0.55 -1.71 0.04 -1.26 -4.63 135.00 131.26 1m8c s PRO 12 Ca 0.20 0.98 0.35 0.00 0.04 0.00 0.00 61.00 62.57 1m8c s PRO 12 Cb -0.19 -2.00 1.90 0.00 0.04 0.00 0.00 34.50 34.26 1m8c s PRO 12 CO -0.04 -1.06 2.07 -0.22 0.04 0.00 0.00 177.00 177.79 1m8c h LYS 13 N -0.57 0.00 -0.65 4.56 3.11 -1.92 0.73 116.57 121.83 1m8c h LYS 13 Ca -0.44 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.40 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 -2.76 3.60 -3.39 4.20 2.03 -1.26 -4.58 116.55 114.40 1m8c n ASP 14 Ca -0.02 -2.41 -0.18 0.00 0.52 0.00 0.00 54.79 52.70 1m8c n ASP 14 Cb 0.10 -0.52 -0.09 0.00 -0.72 0.00 0.00 41.12 39.89 1m8c n ASP 14 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1m8c s ALA 15 N -1.89 -0.33 -0.30 -1.67 0.00 0.26 -5.08 121.76 112.75 1m8c s ALA 15 Ca 0.35 -0.78 -0.05 0.00 0.00 0.00 0.00 51.96 51.47 1m8c s ALA 15 Cb 0.24 -1.91 0.19 0.00 0.00 0.00 0.00 23.12 21.64 1m8c s ALA 15 CO 0.14 -1.96 0.83 0.00 0.00 0.00 0.00 175.76 174.77 1m8c n THR 17 N 5.37 0.00 -0.65 0.00 -1.04 -1.26 -4.92 114.28 111.78 1m8c n THR 17 Ca 0.01 0.00 0.50 0.00 -2.04 0.00 0.00 64.05 62.52 1m8c n THR 17 Cb 0.54 0.00 0.79 0.00 -1.82 0.00 0.00 70.33 69.84 1m8c n THR 17 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1m8c h LEU 18 N 0.00 0.00 -8.48 -4.42 5.85 -2.05 -3.33 115.31 102.88 1m8c h LEU 18 Ca 0.00 0.00 -0.41 0.00 0.84 0.00 0.00 57.88 58.31 1m8c h LEU 18 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1m8c h LEU 18 CO 0.00 0.00 1.22 -1.61 -0.34 0.00 0.00 178.44 177.71 1m8c s GLU 19 N -4.83 2.33 -0.17 1.25 8.01 -1.26 -4.93 118.70 119.11 1m8c s GLU 19 Ca -0.05 0.73 -0.02 0.00 0.01 0.00 0.00 54.97 55.64 1m8c s GLU 19 Cb 0.26 -4.59 -0.02 0.00 -4.31 0.00 0.00 34.13 25.47 1m8c s GLU 19 CO 0.86 -3.18 -0.08 -0.47 0.01 0.00 0.00 175.26 172.40 1m8c s TYR 20 N 10.84 2.92 -0.21 1.61 6.14 -1.25 -4.89 117.35 132.50 1m8c s TYR 20 Ca 0.80 -0.65 -0.04 0.00 0.64 0.00 0.00 57.07 57.82 1m8c s TYR 20 Cb -0.13 -1.96 0.09 0.00 0.42 0.00 0.00 41.96 40.38 1m8c s TYR 20 CO 0.18 -0.27 0.18 1.03 0.64 0.00 0.00 175.55 177.31 1m8c s ARG 21 N 0.72 0.17 0.26 4.97 1.81 0.14 -4.98 118.95 122.05 1m8c s ARG 21 Ca -0.04 0.01 -0.30 0.00 -1.72 0.00 0.00 55.73 53.69 1m8c s ARG 21 Cb -0.15 -1.33 -0.09 0.00 -0.45 0.00 0.00 34.95 32.93 1m8c s ARG 21 CO 0.02 -0.73 1.09 -1.25 -0.68 0.00 0.00 175.30 173.74 1m8c s PRO 22 N 2.25 4.66 0.16 3.54 0.04 -0.76 -1.16 135.00 143.74 1m8c s PRO 22 Ca 0.06 1.77 0.07 0.00 0.04 0.00 0.00 61.00 62.94 1m8c s PRO 22 Cb -0.16 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 1m8c s PRO 22 CO -0.16 0.22 -0.14 -0.51 0.04 0.00 0.00 177.00 176.45 1m8c s LEU 23 N -1.30 2.48 -0.23 -3.56 2.01 0.16 0.15 118.68 118.39 1m8c s LEU 23 Ca 0.45 -0.92 0.00 0.00 0.01 0.00 0.00 54.13 53.67 1m8c s LEU 23 Cb -0.31 -0.62 0.06 0.00 0.01 0.00 0.00 46.19 45.33 1m8c s LEU 23 CO 0.40 -0.16 -0.05 0.00 1.01 0.00 0.00 176.35 177.55 1m8c s GLY 25 N 1.43 2.65 0.15 0.00 0.00 0.90 0.20 107.32 112.65 1m8c s GLY 25 Ca -0.05 0.60 0.21 0.00 0.00 0.00 0.00 44.72 45.47 1m8c s GLY 25 CO -0.06 0.99 1.64 -1.26 0.00 0.00 0.00 173.10 174.40 1m8c n SER 26 N -0.18 0.41 -0.21 1.64 2.88 -0.48 -1.50 113.62 116.18 1m8c n SER 26 Ca 0.05 0.59 0.14 0.00 -1.33 0.00 0.00 58.87 58.33 1m8c n SER 26 Cb 0.51 -0.68 0.71 0.00 -0.75 0.00 0.00 64.21 64.00 1m8c n SER 26 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1m8c n ASP 27 N -1.94 0.65 -0.53 -3.46 5.75 -1.26 -4.87 116.55 110.89 1m8c n ASP 27 Ca 0.03 -1.28 0.00 0.00 -0.01 0.00 0.00 54.79 53.53 1m8c n ASP 27 Cb 0.23 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 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 -0.46 -1.61 -4.40 -1.12 2.85 -0.56 -5.08 115.26 104.88 1m8c n ASN 28 Ca 0.21 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.38 1m8c n ASN 28 Cb 0.21 -0.40 -0.13 0.00 1.24 0.00 0.00 39.78 40.70 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 -3.69 1.50 -0.08 1.20 1.02 -1.18 -4.96 119.74 113.55 1m8c s LYS 29 Ca 0.00 -1.30 0.03 0.00 0.02 0.00 0.00 55.97 54.72 1m8c s LYS 29 Cb 0.00 -1.95 -0.02 0.00 -0.52 0.00 0.00 37.83 35.35 1m8c s LYS 29 CO 0.00 0.46 -0.18 0.99 -0.92 0.00 0.00 175.35 175.70 1m8c s THR 30 N -1.05 2.69 0.23 2.17 2.01 -1.26 -0.07 115.64 120.36 1m8c s THR 30 Ca 0.15 -0.83 0.09 0.00 0.31 0.00 0.00 61.69 61.40 1m8c s THR 30 Cb -0.10 -2.06 -0.05 0.00 0.01 0.00 0.00 72.50 70.30 1m8c s THR 30 CO 0.06 0.56 -0.14 -0.31 -0.69 0.00 0.00 174.62 174.10 1m8c s TYR 31 N -0.14 1.88 -0.05 4.92 2.02 0.79 -4.96 117.35 121.82 1m8c s TYR 31 Ca -0.02 -0.54 0.08 0.00 -0.37 0.00 0.00 57.07 56.22 1m8c s TYR 31 Cb -0.14 -0.89 -0.11 0.00 -0.40 0.00 0.00 41.96 40.42 1m8c s TYR 31 CO 0.04 0.43 0.10 0.41 -1.57 0.00 0.00 175.55 174.95 1m8c n GLY 32 N -0.47 -0.39 3.24 0.71 0.00 -1.26 -1.23 105.19 105.80 1m8c n GLY 32 Ca -0.07 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.55 0.17 0.40 1.61 -0.87 -0.30 0.25 114.94 112.64 1m8c s ASN 33 Ca -0.04 -1.18 0.17 0.00 -1.57 0.00 0.00 52.86 50.25 1m8c s ASN 33 Cb 0.04 0.38 0.83 0.00 -0.02 0.00 0.00 41.25 42.48 1m8c s ASN 33 CO 0.34 -0.83 1.83 0.11 -2.57 0.00 0.00 177.10 175.98 1m8c h LYS 34 N 2.67 0.00 -0.22 -0.60 1.79 -1.90 -1.72 116.57 116.59 1m8c h LYS 34 Ca -0.34 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 57.98 1m8c h LYS 34 Cb 1.23 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.87 1m8c h LYS 34 CO 0.53 0.34 -0.48 0.00 -1.08 0.00 0.00 179.45 178.75 1m8c h ASN 36 N 0.46 0.57 -0.36 0.00 -1.24 -1.79 0.32 115.58 113.53 1m8c h ASN 36 Ca 0.02 -0.36 -0.09 0.00 0.71 0.00 0.00 56.30 56.58 1m8c h ASN 36 Cb 1.01 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.89 1m8c h ASN 36 CO 0.09 0.80 -0.12 0.15 -1.29 0.00 0.00 177.43 177.07 1m8c h PHE 37 N 0.33 0.82 0.00 0.67 3.04 -1.20 -2.39 116.94 118.21 1m8c h PHE 37 Ca 0.07 -0.18 -0.07 0.00 3.98 0.00 0.00 57.97 61.77 1m8c h PHE 37 Cb 0.55 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.86 1m8c h PHE 37 CO 0.05 0.89 -0.34 0.00 -2.02 0.00 0.00 178.31 176.89 1m8c h ASN 39 N 0.00 0.51 0.09 0.00 -0.73 0.04 0.02 115.58 115.51 1m8c h ASN 39 Ca -0.00 -0.15 -0.20 0.00 1.87 0.00 0.00 56.30 57.82 1m8c h ASN 39 Cb 0.67 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 39.12 1m8c h ASN 39 CO 0.04 0.52 -0.73 0.00 -0.37 0.00 0.00 177.43 176.90 1m8c h ALA 40 N 1.01 0.51 -0.34 1.57 0.00 -1.04 -2.42 119.26 118.55 1m8c h ALA 40 Ca 0.13 -0.59 0.05 0.00 0.00 0.00 0.00 54.91 54.49 1m8c h ALA 40 Cb 0.16 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1m8c h ALA 40 CO -0.01 0.73 0.07 0.28 0.00 0.00 0.00 179.25 180.31 1m8c h VAL 41 N 0.39 0.83 -0.62 0.00 2.07 -0.59 1.45 116.25 119.77 1m8c h VAL 41 Ca -0.03 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 1m8c h VAL 41 Cb 1.32 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 1m8c h VAL 41 CO 0.14 0.03 0.21 0.58 0.02 0.00 0.00 177.57 178.54 1m8c h VAL 42 N 0.18 1.23 0.00 2.57 2.07 -0.96 1.24 116.25 122.59 1m8c h VAL 42 Ca 0.16 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1m8c h VAL 42 Cb 0.18 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1m8c h VAL 42 CO -0.22 0.30 0.00 -0.08 0.02 0.00 0.00 177.57 177.60 1m8c h GLU 43 N 0.91 0.00 -0.66 1.57 4.81 -0.61 -2.67 114.58 117.93 1m8c h GLU 43 Ca 0.21 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1m8c h GLU 43 Cb 0.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1m8c h GLU 43 CO -0.01 0.00 0.00 0.43 -0.73 0.00 0.00 179.01 178.70 1m8c n SER 44 N -2.62 4.08 -0.03 1.04 7.64 0.48 -4.88 113.62 119.33 1m8c n SER 44 Ca 0.04 -2.24 -0.00 0.00 1.01 0.00 0.00 58.87 57.67 1m8c n SER 44 Cb 0.39 -0.51 -0.00 0.00 -1.01 0.00 0.00 64.21 63.08 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 1.21 -4.99 0.00 6.43 4.13 -0.80 -0.89 115.26 120.36 1m8c n ASN 45 Ca 0.23 0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.50 1m8c n ASN 45 Cb 0.72 -2.53 0.00 0.00 -1.54 0.00 0.00 39.78 36.43 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 -0.36 0.70 0.08 7.41 0.00 0.41 -4.95 105.19 108.47 1m8c n GLY 46 Ca -0.00 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.54 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 1.05 -0.94 2.61 2.02 -1.17 -3.47 112.91 113.01 1m8c h THR 47 Ca 0.00 -2.86 -0.67 0.00 0.77 0.00 0.00 66.41 63.64 1m8c h THR 47 Cb 0.00 2.52 0.08 0.00 -1.74 0.00 0.00 68.15 69.01 1m8c h THR 47 CO 0.00 0.60 -0.31 -0.11 0.37 0.00 0.00 175.52 176.07 1m8c n LEU 48 N -3.12 -0.78 -4.79 2.58 -0.00 -1.26 -4.95 117.00 104.69 1m8c n LEU 48 Ca -0.12 1.08 -0.23 0.00 -0.00 0.00 0.00 56.01 56.73 1m8c n LEU 48 Cb 1.02 -0.89 -0.05 0.00 -0.00 0.00 0.00 43.42 43.50 1m8c n LEU 48 CO 0.45 -2.47 -0.11 0.42 -0.00 0.00 0.00 177.39 175.68 1m8c s THR 49 N -0.62 2.68 -0.32 1.96 -4.23 -1.26 -4.79 115.64 109.05 1m8c s THR 49 Ca 0.69 -1.56 0.02 0.00 -1.18 0.00 0.00 61.69 59.67 1m8c s THR 49 Cb -0.99 -3.01 0.10 0.00 1.34 0.00 0.00 72.50 69.94 1m8c s THR 49 CO 0.53 -0.06 0.05 -0.22 -0.54 0.00 0.00 174.62 174.38 1m8c s LEU 50 N -3.97 3.91 0.25 4.79 2.96 -1.26 -1.38 118.68 123.97 1m8c s LEU 50 Ca 0.43 -1.93 -0.03 0.00 -0.22 0.00 0.00 54.13 52.38 1m8c s LEU 50 Cb -0.01 -1.40 0.29 0.00 0.50 0.00 0.00 46.19 45.58 1m8c s LEU 50 CO 0.25 -0.37 1.74 -1.28 -1.32 0.00 0.00 176.35 175.36 1m8c h SER 51 N 7.76 0.80 -5.78 3.68 0.87 -0.42 -3.42 113.55 117.05 1m8c h SER 51 Ca -0.08 -0.20 0.32 0.00 -1.23 0.00 0.00 61.79 60.60 1m8c h SER 51 Cb 1.02 -0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 62.70 1m8c h SER 51 CO 0.50 0.87 0.86 -1.38 -0.53 0.00 0.00 176.83 177.15 1m8c s HIS 52 N -4.98 0.03 0.70 2.24 0.00 -0.77 -4.95 115.29 107.56 1m8c s HIS 52 Ca -0.10 -0.18 -0.02 0.00 -3.00 0.00 0.00 55.06 51.76 1m8c s HIS 52 Cb 0.14 0.58 0.11 0.00 -4.00 0.00 0.00 32.58 29.41 1m8c s HIS 52 CO 0.82 -0.35 0.98 -0.06 -1.00 0.00 0.00 174.74 175.13 1m8c s PHE 53 N -2.05 2.00 0.00 0.38 0.40 -1.26 -1.53 117.98 115.91 1m8c s PHE 53 Ca 0.28 -0.09 0.00 0.00 -0.60 0.00 0.00 56.93 56.52 1m8c s PHE 53 Cb -0.01 -3.06 0.00 0.00 0.51 0.00 0.00 43.02 40.46 1m8c s PHE 53 CO -0.00 -1.59 0.00 0.41 0.70 0.00 0.00 175.22 174.74 1m8c n GLY 54 N -2.82 -0.10 3.88 4.36 0.00 0.40 -4.45 105.19 106.46 1m8c n GLY 54 Ca 0.13 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 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 3.77 0.00 1.61 0.00 -1.25 0.37 119.74 124.23 1m8c s LYS 55 Ca 0.00 0.38 0.26 0.00 0.00 0.00 0.00 55.97 56.61 1m8c s LYS 55 Cb 0.00 -2.46 1.57 0.00 0.00 0.00 0.00 37.83 36.94 1m8c s LYS 55 CO 0.00 0.05 1.93 0.00 0.00 0.00 0.00 175.35 177.33