#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m8b n ALA 2 N 0.00 0.00 -0.83 1.47 0.00 -1.26 -5.16 120.51 114.73 1m8b n ALA 2 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1m8b n ALA 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1m8b n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m8b n ALA 3 N -0.27 -3.01 -2.57 0.00 0.00 -1.26 -4.84 120.51 108.57 1m8b n ALA 3 Ca 0.00 0.26 -0.29 0.00 0.00 0.00 0.00 53.44 53.41 1m8b n ALA 3 Cb 0.00 -0.96 -0.10 0.00 0.00 0.00 0.00 19.45 18.40 1m8b n ALA 3 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1m8b s VAL 4 N -1.71 3.29 -0.33 0.00 1.01 -1.26 -5.10 120.40 116.30 1m8b s VAL 4 Ca 0.00 -1.37 0.02 0.00 0.00 0.00 0.00 61.98 60.63 1m8b s VAL 4 Cb 0.00 -2.56 0.10 0.00 0.00 0.00 0.00 36.38 33.92 1m8b s VAL 4 CO 0.00 0.06 0.07 -0.44 0.00 0.00 0.00 175.10 174.79 1m8b s SER 5 N -2.34 4.43 0.29 3.32 0.01 -1.26 -4.76 113.70 113.39 1m8b s SER 5 Ca 0.22 -1.91 -0.02 0.00 1.31 0.00 0.00 55.95 55.55 1m8b s SER 5 Cb -0.11 -1.28 -0.04 0.00 0.21 0.00 0.00 66.02 64.80 1m8b s SER 5 CO 0.14 -0.39 0.50 0.68 0.41 0.00 0.00 173.24 174.58 1m8b s VAL 6 N 1.23 5.11 -0.09 3.43 -7.23 -1.26 -5.05 120.40 116.54 1m8b s VAL 6 Ca 0.10 -0.27 -0.30 0.00 -1.81 0.00 0.00 61.98 59.70 1m8b s VAL 6 Cb -0.18 -3.78 -0.02 0.00 0.56 0.00 0.00 36.38 32.95 1m8b s VAL 6 CO -0.16 -0.37 1.15 -0.62 -0.31 0.00 0.00 175.10 174.79 1m8b s ASP 7 N -3.50 7.09 0.00 4.85 2.15 -1.26 -4.81 116.67 121.18 1m8b s ASP 7 Ca 0.41 1.70 0.03 0.00 0.43 0.00 0.00 52.55 55.12 1m8b s ASP 7 Cb -0.10 -2.55 0.06 0.00 -0.30 0.00 0.00 42.92 40.02 1m8b s ASP 7 CO 0.32 -0.58 0.87 0.00 -0.17 0.00 0.00 175.17 175.61 1m8b n SER 9 N 0.07 5.10 -0.49 0.00 2.88 -1.26 -3.93 113.62 115.99 1m8b n SER 9 Ca -0.13 -3.61 0.00 0.00 -1.33 0.00 0.00 58.87 53.80 1m8b n SER 9 Cb 0.70 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 1m8b n SER 9 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1m8b n GLU 10 N -0.99 0.00 -3.54 -1.46 0.00 -1.26 -5.12 120.64 108.27 1m8b n GLU 10 Ca 0.59 -0.50 -0.23 0.00 0.00 0.00 0.00 57.16 57.01 1m8b n GLU 10 Cb 1.29 -0.26 -0.01 0.00 0.00 0.00 0.00 31.44 32.46 1m8b n GLU 10 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1m8b s TYR 11 N 0.00 3.45 0.49 -1.84 1.51 -1.25 -4.05 117.35 115.65 1m8b s TYR 11 Ca 0.00 0.21 -0.20 0.00 -1.01 0.00 0.00 57.07 56.06 1m8b s TYR 11 Cb 0.00 -1.82 -0.08 0.00 -0.11 0.00 0.00 41.96 39.94 1m8b s TYR 11 CO 0.00 0.19 1.04 -1.25 -1.11 0.00 0.00 175.55 174.41 1m8b s PRO 12 N -4.22 3.80 0.04 -1.71 0.04 -1.26 -4.99 135.00 126.70 1m8b s PRO 12 Ca 0.39 1.36 -0.01 0.00 0.04 0.00 0.00 61.00 62.77 1m8b s PRO 12 Cb -0.09 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1m8b s PRO 12 CO 0.34 -0.43 0.21 0.15 0.04 0.00 0.00 177.00 177.31 1m8b s LYS 13 N -3.24 3.46 -0.41 4.56 1.02 -1.26 -4.99 119.74 118.89 1m8b s LYS 13 Ca 0.67 -0.37 -0.05 0.00 0.02 0.00 0.00 55.97 56.24 1m8b s LYS 13 Cb -0.16 -3.05 -0.08 0.00 -0.52 0.00 0.00 37.83 34.02 1m8b s LYS 13 CO 0.20 0.62 3.12 -0.25 -0.92 0.00 0.00 175.35 178.12 1m8b n ASP 14 N 0.50 6.23 0.00 2.83 8.00 -1.26 -4.78 116.55 128.07 1m8b n ASP 14 Ca -0.07 -2.85 0.00 0.00 0.71 0.00 0.00 54.79 52.58 1m8b n ASP 14 Cb 0.52 -1.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.27 1m8b n ASP 14 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1m8b n ALA 15 N 1.81 0.00 -2.40 2.24 0.00 -1.26 -5.19 120.51 115.72 1m8b n ALA 15 Ca 0.50 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.73 1m8b n ALA 15 Cb 0.66 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.02 1m8b n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m8b s THR 17 N -3.48 5.22 -0.68 0.00 -4.23 -1.26 -4.98 115.64 106.23 1m8b s THR 17 Ca 0.34 0.17 0.23 0.00 -1.18 0.00 0.00 61.69 61.25 1m8b s THR 17 Cb 0.06 -3.60 -0.09 0.00 1.34 0.00 0.00 72.50 70.21 1m8b s THR 17 CO 0.15 0.25 1.10 0.00 -0.54 0.00 0.00 174.62 175.58 1m8b n LEU 18 N 0.75 0.63 -4.79 4.79 -0.00 -1.26 -4.92 117.00 112.20 1m8b n LEU 18 Ca -0.08 -0.01 -0.33 0.00 -0.00 0.00 0.00 56.01 55.59 1m8b n LEU 18 Cb 0.52 -0.12 0.03 0.00 -0.00 0.00 0.00 43.42 43.85 1m8b n LEU 18 CO 0.44 0.05 0.73 -1.61 -0.00 0.00 0.00 177.39 177.00 1m8b s GLU 19 N -3.16 3.10 -0.42 1.47 8.01 -1.26 -5.01 118.70 121.42 1m8b s GLU 19 Ca 0.05 1.29 -0.08 0.00 0.01 0.00 0.00 54.97 56.24 1m8b s GLU 19 Cb 0.15 -2.00 0.09 0.00 -4.31 0.00 0.00 34.13 28.06 1m8b s GLU 19 CO 0.78 -1.00 0.26 -0.47 0.01 0.00 0.00 175.26 174.85 1m8b s TYR 20 N -2.38 3.38 -0.35 1.61 6.14 -1.26 -4.78 117.35 119.71 1m8b s TYR 20 Ca 0.65 -1.73 0.00 0.00 0.64 0.00 0.00 57.07 56.64 1m8b s TYR 20 Cb -0.18 -3.07 0.12 0.00 0.42 0.00 0.00 41.96 39.24 1m8b s TYR 20 CO 0.39 -0.89 0.15 1.03 0.64 0.00 0.00 175.55 176.87 1m8b s ARG 21 N 1.37 0.85 0.07 4.97 1.81 0.14 -5.02 118.95 123.15 1m8b s ARG 21 Ca 0.04 -1.37 -0.30 0.00 -1.72 0.00 0.00 55.73 52.38 1m8b s ARG 21 Cb -0.24 -1.98 -0.06 0.00 -0.45 0.00 0.00 34.95 32.22 1m8b s ARG 21 CO 0.01 -1.07 1.16 -1.25 -0.68 0.00 0.00 175.30 173.47 1m8b s PRO 22 N 1.19 4.47 0.09 3.54 0.04 -1.05 -2.21 135.00 141.07 1m8b s PRO 22 Ca 0.13 1.72 -0.00 0.00 0.04 0.00 0.00 61.00 62.89 1m8b s PRO 22 Cb -0.20 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 30.95 1m8b s PRO 22 CO -0.15 -0.18 -0.01 -0.48 0.04 0.00 0.00 177.00 176.22 1m8b s LEU 23 N 0.82 2.29 -0.04 -3.56 2.34 -0.59 0.19 118.68 120.13 1m8b s LEU 23 Ca 0.56 -1.07 0.06 0.00 0.06 0.00 0.00 54.13 53.74 1m8b s LEU 23 Cb -0.29 0.15 -0.02 0.00 -0.56 0.00 0.00 46.19 45.48 1m8b s LEU 23 CO 0.30 -0.61 -0.21 0.00 -1.06 0.00 0.00 176.35 174.77 1m8b n GLY 25 N 2.57 0.46 0.15 0.00 0.00 0.79 -1.28 105.19 107.88 1m8b n GLY 25 Ca -0.17 -1.99 -0.04 0.00 0.00 0.00 0.00 46.02 43.82 1m8b n GLY 25 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1m8b h SER 26 N -0.64 0.17 -0.27 1.61 0.87 -0.53 -2.47 113.55 112.29 1m8b h SER 26 Ca -0.31 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1m8b h SER 26 Cb 1.11 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 1m8b h SER 26 CO 0.32 0.77 0.00 0.47 -0.53 0.00 0.00 176.83 177.86 1m8b n ASP 27 N -3.81 2.15 -2.21 6.23 9.92 -1.26 -4.85 116.55 122.72 1m8b n ASP 27 Ca -0.02 -2.16 -0.12 0.00 -0.53 0.00 0.00 54.79 51.96 1m8b n ASP 27 Cb 0.65 -0.36 0.04 0.00 -0.64 0.00 0.00 41.12 40.81 1m8b n ASP 27 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1m8b n ASN 28 N 0.32 -3.56 -4.39 -2.24 2.85 -0.93 -4.99 115.26 102.32 1m8b n ASN 28 Ca 0.10 -0.30 -0.42 0.00 -0.11 0.00 0.00 54.58 53.85 1m8b n ASN 28 Cb 0.41 -2.94 -0.10 0.00 1.24 0.00 0.00 39.78 38.39 1m8b n ASN 28 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1m8b s LYS 29 N -5.37 2.87 -0.36 1.20 1.02 -1.25 -4.78 119.74 113.06 1m8b s LYS 29 Ca 0.21 -1.16 -0.26 0.00 0.02 0.00 0.00 55.97 54.78 1m8b s LYS 29 Cb -0.09 -3.90 0.01 0.00 -0.52 0.00 0.00 37.83 33.33 1m8b s LYS 29 CO 0.39 -0.82 0.92 0.99 -0.92 0.00 0.00 175.35 175.91 1m8b s THR 30 N 1.60 4.60 0.31 2.17 2.01 -1.26 -0.15 115.64 124.93 1m8b s THR 30 Ca 0.03 1.21 0.07 0.00 0.31 0.00 0.00 61.69 63.31 1m8b s THR 30 Cb -0.21 -4.32 -0.03 0.00 0.01 0.00 0.00 72.50 67.96 1m8b s THR 30 CO 0.07 -0.51 0.29 -0.31 -0.69 0.00 0.00 174.62 173.47 1m8b s TYR 31 N 3.43 2.98 -0.02 4.92 2.02 0.12 -4.93 117.35 125.86 1m8b s TYR 31 Ca 0.38 -0.25 0.07 0.00 -0.37 0.00 0.00 57.07 56.90 1m8b s TYR 31 Cb -0.12 -1.72 -0.24 0.00 -0.40 0.00 0.00 41.96 39.48 1m8b s TYR 31 CO 0.18 0.25 0.75 0.78 -1.57 0.00 0.00 175.55 175.94 1m8b h GLY 32 N 1.27 0.08 -1.35 0.71 0.00 -1.86 -1.56 103.07 100.35 1m8b h GLY 32 Ca -0.46 -0.20 -0.12 0.00 0.00 0.00 0.00 47.33 46.55 1m8b h GLY 32 CO 0.58 0.18 0.09 0.54 0.00 0.00 0.00 176.54 177.93 1m8b s ASN 33 N -6.43 0.36 0.38 0.19 2.20 -0.94 0.28 114.94 110.98 1m8b s ASN 33 Ca -0.07 -1.27 0.28 0.00 -0.94 0.00 0.00 52.86 50.86 1m8b s ASN 33 Cb 0.08 0.78 1.12 0.00 -2.00 0.00 0.00 41.25 41.22 1m8b s ASN 33 CO 0.82 -1.53 1.82 0.50 -2.94 0.00 0.00 177.10 175.77 1m8b h LYS 34 N 2.04 0.00 0.05 3.55 3.64 -1.94 -1.75 116.57 122.16 1m8b h LYS 34 Ca -0.30 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1m8b h LYS 34 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1m8b h LYS 34 CO 0.39 0.00 -0.02 0.00 -2.27 0.00 0.00 179.45 177.55 1m8b h ASN 36 N -0.60 0.89 -0.02 0.00 2.35 -1.91 -0.77 115.58 115.52 1m8b h ASN 36 Ca -0.01 -0.25 -0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1m8b h ASN 36 Cb 0.53 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 1m8b h ASN 36 CO 0.01 0.92 0.01 0.15 -1.65 0.00 0.00 177.43 176.87 1m8b h PHE 37 N 0.83 0.03 -0.26 1.19 3.04 -1.33 0.11 116.94 120.55 1m8b h PHE 37 Ca 0.17 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.17 1m8b h PHE 37 Cb 0.39 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.85 1m8b h PHE 37 CO 0.03 0.12 0.02 0.00 -2.02 0.00 0.00 178.31 176.46 1m8b h ASN 39 N 0.10 0.22 0.60 0.00 -0.73 -0.90 0.19 115.58 115.07 1m8b h ASN 39 Ca 0.12 -0.00 -0.16 0.00 1.87 0.00 0.00 56.30 58.13 1m8b h ASN 39 Cb 0.15 -0.05 -0.02 0.00 0.27 0.00 0.00 38.32 38.67 1m8b h ASN 39 CO -0.19 0.15 -0.73 0.00 -0.37 0.00 0.00 177.43 176.29 1m8b h ALA 40 N 1.83 0.74 0.47 1.57 0.00 0.19 -1.42 119.26 122.64 1m8b h ALA 40 Ca 0.13 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 1m8b h ALA 40 Cb 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1m8b h ALA 40 CO -0.03 0.86 -0.23 0.28 0.00 0.00 0.00 179.25 180.14 1m8b h VAL 41 N 0.07 0.25 -0.92 0.00 2.07 0.27 -0.44 116.25 117.55 1m8b h VAL 41 Ca -0.02 -0.54 0.11 0.00 0.82 0.00 0.00 66.70 67.07 1m8b h VAL 41 Cb 1.29 0.38 -0.07 0.00 -1.52 0.00 0.00 31.29 31.37 1m8b h VAL 41 CO 0.10 0.05 0.59 -0.37 0.02 0.00 0.00 177.57 177.96 1m8b h VAL 42 N -1.07 0.94 -0.03 2.57 -1.51 -1.07 0.74 116.25 116.82 1m8b h VAL 42 Ca -0.07 -0.30 -0.06 0.00 -1.23 0.00 0.00 66.70 65.04 1m8b h VAL 42 Cb 0.57 -0.03 -0.01 0.00 -2.13 0.00 0.00 31.29 29.69 1m8b h VAL 42 CO 0.11 0.16 -0.27 -0.33 -1.23 0.00 0.00 177.57 176.01 1m8b h GLU 43 N 0.89 0.06 -0.51 5.19 5.08 -1.20 -0.93 114.58 123.15 1m8b h GLU 43 Ca 0.44 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1m8b h GLU 43 Cb 0.47 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1m8b h GLU 43 CO -0.20 0.33 0.00 0.45 -1.00 0.00 0.00 179.01 178.59 1m8b n SER 44 N -4.20 2.08 0.00 1.42 2.88 0.95 -4.82 113.62 111.93 1m8b n SER 44 Ca -0.02 -2.15 0.00 0.00 -1.33 0.00 0.00 58.87 55.37 1m8b n SER 44 Cb 0.33 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 1m8b n SER 44 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1m8b n ASN 45 N 0.31 -1.74 0.00 -3.46 5.15 -0.35 -2.39 115.26 112.77 1m8b n ASN 45 Ca 0.10 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.08 1m8b n ASN 45 Cb 0.40 -0.98 0.00 0.00 -0.53 0.00 0.00 39.78 38.67 1m8b n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1m8b n GLY 46 N -1.95 1.26 0.08 8.20 0.00 0.22 -4.93 105.19 108.07 1m8b n GLY 46 Ca 0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 46.02 45.56 1m8b n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1m8b n THR 47 N -2.33 1.07 -2.18 2.61 -2.24 -1.01 -4.92 114.28 105.28 1m8b n THR 47 Ca 0.00 -0.74 -0.42 0.00 -2.27 0.00 0.00 64.05 60.62 1m8b n THR 47 Cb 0.21 -0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.00 1m8b n THR 47 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1m8b s LEU 48 N -5.22 4.32 0.25 3.22 1.98 -1.26 -5.01 118.68 116.96 1m8b s LEU 48 Ca -0.09 2.17 0.11 0.00 -2.89 0.00 0.00 54.13 53.43 1m8b s LEU 48 Cb 0.07 -3.56 -0.05 0.00 0.66 0.00 0.00 46.19 43.31 1m8b s LEU 48 CO 0.78 -0.74 -0.15 0.42 -1.89 0.00 0.00 176.35 174.77 1m8b s THR 49 N 2.37 2.77 -0.24 3.68 -4.23 -1.26 -4.70 115.64 114.03 1m8b s THR 49 Ca 0.65 -2.12 -0.27 0.00 -1.18 0.00 0.00 61.69 58.77 1m8b s THR 49 Cb -0.33 -2.42 0.01 0.00 1.34 0.00 0.00 72.50 71.10 1m8b s THR 49 CO 0.27 -0.30 0.97 -0.22 -0.54 0.00 0.00 174.62 174.80 1m8b s LEU 50 N -3.28 4.08 -0.05 4.79 0.20 -1.26 0.23 118.68 123.39 1m8b s LEU 50 Ca 0.28 1.23 -0.22 0.00 0.69 0.00 0.00 54.13 56.11 1m8b s LEU 50 Cb -0.06 -3.41 -0.31 0.00 -0.43 0.00 0.00 46.19 41.97 1m8b s LEU 50 CO 0.15 -0.63 0.89 0.28 -0.29 0.00 0.00 176.35 176.75 1m8b h SER 51 N 7.57 0.44 -5.65 3.68 0.02 -1.35 -3.41 113.55 114.85 1m8b h SER 51 Ca -0.20 -0.96 0.27 0.00 -0.84 0.00 0.00 61.79 60.06 1m8b h SER 51 Cb 1.07 -0.14 -0.07 0.00 0.14 0.00 0.00 62.40 63.40 1m8b h SER 51 CO 0.95 1.37 0.76 -1.38 -1.14 0.00 0.00 176.83 177.38 1m8b s HIS 52 N -2.41 0.02 0.30 3.45 0.00 -0.99 -4.73 115.29 110.92 1m8b s HIS 52 Ca -0.14 -0.25 0.05 0.00 -3.00 0.00 0.00 55.06 51.72 1m8b s HIS 52 Cb 0.01 0.61 -0.02 0.00 -4.00 0.00 0.00 32.58 29.18 1m8b s HIS 52 CO 0.82 -0.53 0.44 -0.06 -1.00 0.00 0.00 174.74 174.41 1m8b s PHE 53 N -2.21 3.32 0.00 0.38 0.08 -1.26 -1.59 117.98 116.71 1m8b s PHE 53 Ca 0.23 -0.04 0.00 0.00 0.12 0.00 0.00 56.93 57.25 1m8b s PHE 53 Cb -0.00 -1.80 0.00 0.00 -0.57 0.00 0.00 43.02 40.65 1m8b s PHE 53 CO 0.01 0.20 0.00 0.41 -0.10 0.00 0.00 175.22 175.74 1m8b n GLY 54 N -1.57 -2.84 3.40 4.36 0.00 0.52 -4.73 105.19 104.32 1m8b n GLY 54 Ca -0.05 -1.24 -0.47 0.00 0.00 0.00 0.00 46.02 44.26 1m8b n GLY 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1m8b n LYS 55 N -1.25 0.07 0.00 1.61 5.02 -1.21 -3.82 118.16 118.58 1m8b n LYS 55 Ca 0.00 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1m8b n LYS 55 Cb 0.00 -1.05 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 1m8b n LYS 55 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88