#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 -2.85 -1.14 1.96 0.00 -1.26 -5.04 120.51 112.18 1m8b n ALA 2 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1m8b n ALA 2 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 -2.20 -1.77 -2.32 0.00 0.00 -1.26 -5.07 120.51 107.89 1m8b n ALA 3 Ca 0.00 0.33 -0.17 0.00 0.00 0.00 0.00 53.44 53.60 1m8b n ALA 3 Cb 0.51 -1.16 -0.10 0.00 0.00 0.00 0.00 19.45 18.70 1m8b n ALA 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1m8b s VAL 4 N -3.37 0.39 -0.05 0.00 0.11 -1.26 -5.14 120.40 111.08 1m8b s VAL 4 Ca 0.00 -2.00 0.03 0.00 -2.93 0.00 0.00 61.98 57.08 1m8b s VAL 4 Cb 0.00 -2.56 0.00 0.00 -1.53 0.00 0.00 36.38 32.29 1m8b s VAL 4 CO 0.00 0.00 -0.14 -0.55 -3.33 0.00 0.00 175.10 171.08 1m8b s SER 5 N -3.33 1.83 0.01 3.54 0.15 -1.26 -4.55 113.70 110.09 1m8b s SER 5 Ca 0.37 -0.30 -0.07 0.00 0.70 0.00 0.00 55.95 56.65 1m8b s SER 5 Cb 0.06 -0.60 -0.05 0.00 -1.71 0.00 0.00 66.02 63.72 1m8b s SER 5 CO 0.15 0.10 0.28 -0.69 1.20 0.00 0.00 173.24 174.28 1m8b s VAL 6 N 0.25 5.29 -0.06 4.45 1.01 -1.26 -5.03 120.40 125.04 1m8b s VAL 6 Ca -0.07 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 1m8b s VAL 6 Cb -0.12 -3.57 -0.06 0.00 0.00 0.00 0.00 36.38 32.63 1m8b s VAL 6 CO 0.02 0.38 1.70 -0.62 0.00 0.00 0.00 175.10 176.58 1m8b s ASP 7 N -1.66 6.58 -0.17 3.32 2.15 -1.26 -4.78 116.67 120.85 1m8b s ASP 7 Ca 0.27 2.22 0.10 0.00 0.43 0.00 0.00 52.55 55.58 1m8b s ASP 7 Cb -0.13 -2.53 0.27 0.00 -0.30 0.00 0.00 42.92 40.23 1m8b s ASP 7 CO 0.16 -1.00 1.26 0.00 -0.17 0.00 0.00 175.17 175.42 1m8b n SER 9 N -0.68 7.47 -0.83 0.00 3.41 -1.26 -4.10 113.62 117.63 1m8b n SER 9 Ca -0.17 -3.79 -0.05 0.00 -0.26 0.00 0.00 58.87 54.60 1m8b n SER 9 Cb 0.83 -0.94 -0.05 0.00 -0.26 0.00 0.00 64.21 63.80 1m8b n SER 9 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1m8b n GLU 10 N -0.86 0.00 -4.12 4.33 0.00 -1.26 -5.14 120.64 113.59 1m8b n GLU 10 Ca 0.60 -0.67 -0.22 0.00 0.00 0.00 0.00 57.16 56.87 1m8b n GLU 10 Cb 0.64 0.35 -0.04 0.00 0.00 0.00 0.00 31.44 32.38 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 3.11 0.47 -1.84 1.51 -1.26 -3.93 117.35 115.41 1m8b s TYR 11 Ca 0.00 -0.11 -0.21 0.00 -1.01 0.00 0.00 57.07 55.74 1m8b s TYR 11 Cb 0.00 -1.40 -0.09 0.00 -0.11 0.00 0.00 41.96 40.37 1m8b s TYR 11 CO 0.00 0.52 1.04 -1.25 -1.11 0.00 0.00 175.55 174.75 1m8b s PRO 12 N -3.83 3.85 0.10 -1.71 0.04 -1.26 -5.00 135.00 127.18 1m8b s PRO 12 Ca 0.33 1.37 0.10 0.00 0.04 0.00 0.00 61.00 62.84 1m8b s PRO 12 Cb -0.08 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 1m8b s PRO 12 CO 0.25 -0.39 -0.24 -1.59 0.04 0.00 0.00 177.00 175.07 1m8b s LYS 13 N -3.15 1.65 -0.09 4.56 -2.85 -1.25 -5.06 119.74 113.54 1m8b s LYS 13 Ca 0.66 -1.22 -0.03 0.00 -1.00 0.00 0.00 55.97 54.38 1m8b s LYS 13 Cb -0.17 -2.00 -0.02 0.00 -2.06 0.00 0.00 37.83 33.58 1m8b s LYS 13 CO 0.20 0.48 0.13 -0.44 0.10 0.00 0.00 175.35 175.83 1m8b h ASP 14 N 4.15 -0.07 -3.89 0.03 3.32 -2.03 -3.46 116.42 114.47 1m8b h ASP 14 Ca -0.49 -0.04 -0.48 0.00 0.02 0.00 0.00 57.03 56.04 1m8b h ASP 14 Cb 1.16 0.02 0.18 0.00 0.22 0.00 0.00 39.33 40.91 1m8b h ASP 14 CO 0.42 0.44 0.17 0.00 -1.72 0.00 0.00 179.24 178.55 1m8b s ALA 15 N -2.76 0.92 0.12 3.45 0.00 -1.26 -5.04 121.76 117.19 1m8b s ALA 15 Ca -0.02 0.12 -0.25 0.00 0.00 0.00 0.00 51.96 51.81 1m8b s ALA 15 Cb 0.00 -3.29 0.08 0.00 0.00 0.00 0.00 23.12 19.92 1m8b s ALA 15 CO 0.06 -2.92 1.10 0.00 0.00 0.00 0.00 175.76 174.00 1m8b s THR 17 N -2.34 4.27 -0.12 0.00 -4.23 -1.26 -5.02 115.64 106.93 1m8b s THR 17 Ca 0.21 -0.86 0.19 0.00 -1.18 0.00 0.00 61.69 60.04 1m8b s THR 17 Cb -0.01 -3.51 -0.27 0.00 1.34 0.00 0.00 72.50 70.05 1m8b s THR 17 CO 0.03 -0.24 0.24 0.18 -0.54 0.00 0.00 174.62 174.29 1m8b n LEU 18 N -1.71 0.00 -4.63 4.79 4.32 -1.26 -4.97 117.00 113.54 1m8b n LEU 18 Ca -0.01 0.00 -0.47 0.00 -0.02 0.00 0.00 56.01 55.51 1m8b n LEU 18 Cb 0.58 0.26 -0.04 0.00 -1.62 0.00 0.00 43.42 42.60 1m8b n LEU 18 CO 0.44 0.26 0.96 -0.62 -1.22 0.00 0.00 177.39 177.22 1m8b n GLU 19 N -2.49 1.71 -3.12 3.23 4.71 -1.26 -4.92 120.64 118.49 1m8b n GLU 19 Ca -0.19 0.61 -0.40 0.00 -0.01 0.00 0.00 57.16 57.17 1m8b n GLU 19 Cb 0.86 -2.25 -0.06 0.00 -1.01 0.00 0.00 31.44 28.99 1m8b n GLU 19 CO 0.00 0.00 0.00 -0.47 0.09 0.00 0.00 177.13 176.75 1m8b s TYR 20 N 0.21 3.40 -0.31 -0.32 6.14 -1.26 -4.87 117.35 120.34 1m8b s TYR 20 Ca 0.74 0.95 -0.02 0.00 0.64 0.00 0.00 57.07 59.39 1m8b s TYR 20 Cb -0.75 -2.78 0.12 0.00 0.42 0.00 0.00 41.96 38.97 1m8b s TYR 20 CO 0.47 -0.13 0.21 1.03 0.64 0.00 0.00 175.55 177.77 1m8b s ARG 21 N 1.73 0.34 0.08 4.97 1.81 0.56 -5.03 118.95 123.40 1m8b s ARG 21 Ca 0.29 -0.65 -0.30 0.00 -1.72 0.00 0.00 55.73 53.35 1m8b s ARG 21 Cb -0.16 -1.03 -0.06 0.00 -0.45 0.00 0.00 34.95 33.26 1m8b s ARG 21 CO 0.11 -1.08 1.16 -1.25 -0.68 0.00 0.00 175.30 173.55 1m8b s PRO 22 N 1.87 4.47 0.15 3.54 0.04 -0.99 -3.13 135.00 140.96 1m8b s PRO 22 Ca 0.12 1.72 -0.03 0.00 0.04 0.00 0.00 61.00 62.85 1m8b s PRO 22 Cb -0.17 -3.35 -0.03 0.00 0.04 0.00 0.00 34.50 30.99 1m8b s PRO 22 CO -0.24 -0.18 0.13 -0.48 0.04 0.00 0.00 177.00 176.27 1m8b s LEU 23 N 0.79 1.45 -0.01 -3.56 0.05 -0.58 0.12 118.68 116.94 1m8b s LEU 23 Ca 0.56 -1.17 0.08 0.00 0.05 0.00 0.00 54.13 53.65 1m8b s LEU 23 Cb -0.29 0.53 -0.02 0.00 -2.05 0.00 0.00 46.19 44.37 1m8b s LEU 23 CO 0.30 -0.80 -0.24 0.00 -0.55 0.00 0.00 176.35 175.06 1m8b n GLY 25 N 2.42 0.62 0.19 0.00 0.00 0.34 -0.70 105.19 108.06 1m8b n GLY 25 Ca -0.16 -2.03 0.07 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.60 0.00 -0.31 1.61 0.87 -0.53 -2.56 113.55 112.02 1m8b h SER 26 Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 1m8b h SER 26 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1m8b h SER 26 CO 0.35 0.34 0.00 -0.90 -0.53 0.00 0.00 176.83 176.09 1m8b n ASP 27 N -3.36 2.61 -2.87 6.23 5.75 -1.26 -4.86 116.55 118.79 1m8b n ASP 27 Ca 0.01 -2.23 -0.18 0.00 -0.01 0.00 0.00 54.79 52.38 1m8b n ASP 27 Cb 0.55 -0.42 0.06 0.00 -1.03 0.00 0.00 41.12 40.28 1m8b n ASP 27 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1m8b n ASN 28 N 0.41 -5.29 -4.28 -1.12 2.85 -0.96 -4.98 115.26 101.90 1m8b n ASN 28 Ca 0.13 -0.41 -0.39 0.00 -0.11 0.00 0.00 54.58 53.80 1m8b n ASN 28 Cb 0.51 -3.97 -0.12 0.00 1.24 0.00 0.00 39.78 37.44 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 -5.98 2.61 -0.13 1.20 1.02 -1.26 -4.84 119.74 112.37 1m8b s LYS 29 Ca 0.44 -1.25 -0.25 0.00 0.02 0.00 0.00 55.97 54.93 1m8b s LYS 29 Cb -0.19 -3.56 -0.02 0.00 -0.52 0.00 0.00 37.83 33.53 1m8b s LYS 29 CO 0.56 -0.74 0.81 0.99 -0.92 0.00 0.00 175.35 176.04 1m8b s THR 30 N 1.41 4.92 0.36 2.17 2.01 -1.26 -0.51 115.64 124.75 1m8b s THR 30 Ca 0.00 1.62 0.08 0.00 0.31 0.00 0.00 61.69 63.70 1m8b s THR 30 Cb -0.20 -4.13 -0.06 0.00 0.01 0.00 0.00 72.50 68.12 1m8b s THR 30 CO 0.03 0.10 0.04 -0.31 -0.69 0.00 0.00 174.62 173.79 1m8b s TYR 31 N 1.70 2.56 -0.10 4.92 2.02 0.11 -4.96 117.35 123.60 1m8b s TYR 31 Ca 0.39 -0.48 -0.03 0.00 -0.37 0.00 0.00 57.07 56.58 1m8b s TYR 31 Cb -0.17 -1.60 -0.26 0.00 -0.40 0.00 0.00 41.96 39.53 1m8b s TYR 31 CO 0.15 0.42 0.45 0.78 -1.57 0.00 0.00 175.55 175.79 1m8b h GLY 32 N 1.73 0.25 -3.22 0.71 0.00 -1.86 -1.54 103.07 99.15 1m8b h GLY 32 Ca -0.43 -0.63 -0.11 0.00 0.00 0.00 0.00 47.33 46.16 1m8b h GLY 32 CO 0.69 0.55 -0.61 -1.31 0.00 0.00 0.00 176.54 175.86 1m8b s ASN 33 N -6.85 0.41 0.47 0.19 -0.87 -1.18 -0.33 114.94 106.77 1m8b s ASN 33 Ca -0.18 -0.93 0.32 0.00 -1.57 0.00 0.00 52.86 50.50 1m8b s ASN 33 Cb 0.07 0.23 1.58 0.00 -0.02 0.00 0.00 41.25 43.11 1m8b s ASN 33 CO 0.79 -0.63 1.96 0.50 -2.57 0.00 0.00 177.10 177.15 1m8b h LYS 34 N 3.06 0.00 0.09 -0.60 3.64 -1.93 -1.69 116.57 119.15 1m8b h LYS 34 Ca -0.34 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1m8b h LYS 34 Cb 1.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1m8b h LYS 34 CO 0.64 0.00 -0.04 0.00 -2.27 0.00 0.00 179.45 177.77 1m8b h ASN 36 N -0.63 0.75 -0.34 0.00 2.35 -1.78 0.52 115.58 116.45 1m8b h ASN 36 Ca -0.01 -0.09 -0.14 0.00 -0.55 0.00 0.00 56.30 55.50 1m8b h ASN 36 Cb 0.51 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1m8b h ASN 36 CO 0.02 0.67 -0.34 0.15 -1.65 0.00 0.00 177.43 176.28 1m8b h PHE 37 N 0.82 1.00 0.00 1.19 3.04 -1.26 -1.99 116.94 119.73 1m8b h PHE 37 Ca 0.20 -0.30 -0.00 0.00 3.98 0.00 0.00 57.97 61.84 1m8b h PHE 37 Cb 0.15 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.46 1m8b h PHE 37 CO 0.01 1.09 -0.00 0.00 -2.02 0.00 0.00 178.31 177.39 1m8b h ASN 39 N -0.14 0.00 0.54 0.00 -0.73 -0.88 0.27 115.58 114.64 1m8b h ASN 39 Ca -0.00 0.00 -0.28 0.00 1.87 0.00 0.00 56.30 57.89 1m8b h ASN 39 Cb 0.14 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.74 1m8b h ASN 39 CO 0.00 0.00 -1.27 0.00 -0.37 0.00 0.00 177.43 175.79 1m8b h ALA 40 N 1.79 0.06 0.48 1.57 0.00 -0.49 -2.69 119.26 119.99 1m8b h ALA 40 Ca 0.16 -0.87 -0.02 0.00 0.00 0.00 0.00 54.91 54.17 1m8b h ALA 40 Cb 0.67 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1m8b h ALA 40 CO -0.00 0.91 -0.23 0.28 0.00 0.00 0.00 179.25 180.20 1m8b h VAL 41 N 0.10 0.49 -0.98 0.00 2.07 0.30 0.25 116.25 118.48 1m8b h VAL 41 Ca -0.15 -0.26 0.12 0.00 0.82 0.00 0.00 66.70 67.23 1m8b h VAL 41 Cb 1.99 0.60 -0.08 0.00 -1.52 0.00 0.00 31.29 32.28 1m8b h VAL 41 CO 0.22 0.04 0.62 -0.37 0.02 0.00 0.00 177.57 178.10 1m8b h VAL 42 N -0.81 0.91 -0.36 2.57 -1.51 -0.96 1.65 116.25 117.73 1m8b h VAL 42 Ca -0.07 -0.32 -0.05 0.00 -1.23 0.00 0.00 66.70 65.03 1m8b h VAL 42 Cb 0.57 -0.12 -0.02 0.00 -2.13 0.00 0.00 31.29 29.59 1m8b h VAL 42 CO 0.11 0.17 0.03 -0.08 -1.23 0.00 0.00 177.57 176.57 1m8b h GLU 43 N 0.94 0.56 -1.38 5.19 4.81 -1.17 -2.14 114.58 121.38 1m8b h GLU 43 Ca 0.49 -0.11 -0.32 0.00 -0.13 0.00 0.00 59.36 59.28 1m8b h GLU 43 Cb 0.52 -0.08 -0.15 0.00 0.63 0.00 0.00 28.75 29.67 1m8b h GLU 43 CO -0.25 0.56 0.41 0.45 -0.73 0.00 0.00 179.01 179.45 1m8b n SER 44 N -4.29 5.79 -1.04 1.04 2.88 0.76 -4.74 113.62 114.01 1m8b n SER 44 Ca 0.02 -3.03 -0.13 0.00 -1.33 0.00 0.00 58.87 54.40 1m8b n SER 44 Cb 0.23 -0.97 -0.06 0.00 -0.75 0.00 0.00 64.21 62.67 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 0.15 -5.37 -1.20 -3.46 5.15 -0.81 -0.33 115.26 109.40 1m8b n ASN 45 Ca 0.31 0.32 -0.10 0.00 -0.60 0.00 0.00 54.58 54.51 1m8b n ASN 45 Cb 0.70 -4.19 -0.00 0.00 -0.53 0.00 0.00 39.78 35.75 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 0.08 -0.03 0.11 8.20 0.00 0.53 -4.92 105.19 109.16 1m8b n GLY 46 Ca -0.13 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.99 1.61 -1.67 2.61 -2.24 0.56 -4.91 114.28 106.24 1m8b n THR 47 Ca -0.11 -0.73 -0.46 0.00 -2.27 0.00 0.00 64.05 60.48 1m8b n THR 47 Cb 0.59 -1.22 -0.04 0.00 -2.10 0.00 0.00 70.33 67.55 1m8b n THR 47 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1m8b n LEU 48 N -3.17 3.12 -4.40 3.22 0.00 -1.26 -4.98 117.00 109.53 1m8b n LEU 48 Ca -0.29 1.08 -0.28 0.00 0.00 0.00 0.00 56.01 56.52 1m8b n LEU 48 Cb 1.06 -1.43 -0.13 0.00 0.00 0.00 0.00 43.42 42.93 1m8b n LEU 48 CO 0.41 -0.27 -0.56 0.42 0.00 0.00 0.00 177.39 177.39 1m8b s THR 49 N 1.00 2.29 -0.11 1.96 -4.23 -1.26 -4.80 115.64 110.49 1m8b s THR 49 Ca 0.79 -1.86 -0.30 0.00 -1.18 0.00 0.00 61.69 59.14 1m8b s THR 49 Cb -0.68 -2.04 -0.03 0.00 1.34 0.00 0.00 72.50 71.09 1m8b s THR 49 CO 0.38 0.01 1.35 -0.22 -0.54 0.00 0.00 174.62 175.60 1m8b s LEU 50 N -2.29 4.24 -0.10 4.79 1.98 -1.26 0.22 118.68 126.26 1m8b s LEU 50 Ca 0.16 1.87 -0.27 0.00 -2.89 0.00 0.00 54.13 53.00 1m8b s LEU 50 Cb -0.09 -3.54 -0.26 0.00 0.66 0.00 0.00 46.19 42.96 1m8b s LEU 50 CO 0.07 -0.76 0.88 0.28 -1.89 0.00 0.00 176.35 174.93 1m8b h SER 51 N 8.31 0.10 -5.24 3.68 0.02 -1.07 -3.40 113.55 115.94 1m8b h SER 51 Ca -0.31 -0.90 0.28 0.00 -0.84 0.00 0.00 61.79 60.02 1m8b h SER 51 Cb 1.13 -0.03 -0.14 0.00 0.14 0.00 0.00 62.40 63.51 1m8b h SER 51 CO 0.95 0.99 0.78 -1.38 -1.14 0.00 0.00 176.83 177.02 1m8b s HIS 52 N -2.62 -0.09 0.72 3.45 -3.43 -0.94 -4.59 115.29 107.80 1m8b s HIS 52 Ca -0.17 -0.02 -0.10 0.00 -0.80 0.00 0.00 55.06 53.97 1m8b s HIS 52 Cb -0.01 0.54 0.05 0.00 -1.43 0.00 0.00 32.58 31.73 1m8b s HIS 52 CO 0.71 -0.31 1.08 -0.06 -2.00 0.00 0.00 174.74 174.16 1m8b s PHE 53 N -2.52 3.09 0.44 0.38 0.40 -1.26 -1.60 117.98 116.91 1m8b s PHE 53 Ca 0.12 0.74 0.00 0.00 -0.60 0.00 0.00 56.93 57.19 1m8b s PHE 53 Cb 0.02 -3.19 0.00 0.00 0.51 0.00 0.00 43.02 40.36 1m8b s PHE 53 CO -0.04 -1.38 0.00 0.41 0.70 0.00 0.00 175.22 174.91 1m8b n GLY 54 N -3.03 -3.42 3.22 4.36 0.00 0.33 -4.68 105.19 101.97 1m8b n GLY 54 Ca 0.07 -1.08 -0.38 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.10 0.05 0.00 1.61 5.02 -1.16 -3.68 118.16 116.90 1m8b n LYS 55 Ca -0.04 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1m8b n LYS 55 Cb 0.43 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 1m8b n LYS 55 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88