#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m8b s ALA 2 N 0.00 -2.56 -0.33 -1.18 0.00 -1.26 -5.09 121.76 111.34 1m8b s ALA 2 Ca 0.00 0.63 0.04 0.00 0.00 0.00 0.00 51.96 52.63 1m8b s ALA 2 Cb 0.00 0.50 0.26 0.00 0.00 0.00 0.00 23.12 23.88 1m8b s ALA 2 CO 0.00 -1.10 1.31 0.00 0.00 0.00 0.00 175.76 175.96 1m8b n ALA 3 N -0.67 -2.76 -0.89 0.00 0.00 -1.26 -5.15 120.51 109.78 1m8b n ALA 3 Ca -0.04 -0.47 0.11 0.00 0.00 0.00 0.00 53.44 53.04 1m8b n ALA 3 Cb 0.62 -2.46 -0.03 0.00 0.00 0.00 0.00 19.45 17.57 1m8b n ALA 3 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1m8b n VAL 4 N 0.20 0.00 -3.66 0.00 3.14 -1.26 -4.84 118.33 111.91 1m8b n VAL 4 Ca -0.11 0.08 -0.07 0.00 -2.96 0.00 0.00 64.34 61.28 1m8b n VAL 4 Cb 0.73 -0.36 -0.08 0.00 -1.06 0.00 0.00 33.84 33.06 1m8b n VAL 4 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1m8b s SER 5 N -4.75 -0.61 0.16 6.55 1.04 -1.26 -5.05 113.70 109.77 1m8b s SER 5 Ca 0.00 1.17 -0.04 0.00 0.48 0.00 0.00 55.95 57.57 1m8b s SER 5 Cb 0.00 1.42 -0.05 0.00 0.10 0.00 0.00 66.02 67.48 1m8b s SER 5 CO 0.00 -0.22 0.38 -0.69 0.98 0.00 0.00 173.24 173.69 1m8b s VAL 6 N 2.23 5.18 -0.25 5.02 1.01 -1.26 -5.06 120.40 127.26 1m8b s VAL 6 Ca -0.06 -0.07 -0.21 0.00 0.00 0.00 0.00 61.98 61.65 1m8b s VAL 6 Cb -0.10 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 1m8b s VAL 6 CO -0.15 -0.02 0.65 -0.62 0.00 0.00 0.00 175.10 174.96 1m8b s ASP 7 N -2.63 6.61 -0.37 3.32 2.15 -1.26 -4.88 116.67 119.61 1m8b s ASP 7 Ca 0.40 0.75 0.12 0.00 0.43 0.00 0.00 52.55 54.26 1m8b s ASP 7 Cb -0.12 -2.35 0.41 0.00 -0.30 0.00 0.00 42.92 40.57 1m8b s ASP 7 CO 0.26 -0.37 1.31 0.00 -0.17 0.00 0.00 175.17 176.19 1m8b n SER 9 N -0.66 4.69 -0.87 0.00 7.64 -1.26 -4.59 113.62 118.57 1m8b n SER 9 Ca -0.03 -3.69 -0.05 0.00 1.01 0.00 0.00 58.87 56.11 1m8b n SER 9 Cb 0.85 -0.42 -0.04 0.00 -1.01 0.00 0.00 64.21 63.58 1m8b n SER 9 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1m8b n GLU 10 N -0.55 0.02 -3.97 1.43 0.00 -1.26 -5.15 120.64 111.15 1m8b n GLU 10 Ca 0.40 -0.67 -0.22 0.00 0.00 0.00 0.00 57.16 56.67 1m8b n GLU 10 Cb 0.77 0.50 -0.04 0.00 0.00 0.00 0.00 31.44 32.66 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 2.91 0.38 -1.84 1.51 -1.26 -3.96 117.35 115.09 1m8b s TYR 11 Ca 0.00 -0.26 -0.25 0.00 -1.01 0.00 0.00 57.07 55.56 1m8b s TYR 11 Cb 0.01 -1.62 -0.09 0.00 -0.11 0.00 0.00 41.96 40.15 1m8b s TYR 11 CO -0.00 0.33 1.06 -1.25 -1.11 0.00 0.00 175.55 174.58 1m8b s PRO 12 N -3.91 4.23 0.29 -1.71 0.04 -1.26 -5.00 135.00 127.69 1m8b s PRO 12 Ca 0.38 1.56 -0.16 0.00 0.04 0.00 0.00 61.00 62.82 1m8b s PRO 12 Cb -0.06 -2.64 -0.09 0.00 0.04 0.00 0.00 34.50 31.76 1m8b s PRO 12 CO 0.25 -0.09 0.72 0.15 0.04 0.00 0.00 177.00 178.06 1m8b s LYS 13 N -2.34 4.04 0.21 4.56 1.02 -1.25 -4.97 119.74 121.01 1m8b s LYS 13 Ca 0.56 0.68 -0.08 0.00 0.02 0.00 0.00 55.97 57.15 1m8b s LYS 13 Cb -0.24 -2.55 0.16 0.00 -0.52 0.00 0.00 37.83 34.69 1m8b s LYS 13 CO 0.30 0.22 1.79 -0.44 -0.92 0.00 0.00 175.35 176.30 1m8b h ASP 14 N 2.54 1.11 -1.21 2.83 5.19 -2.01 -3.44 116.42 121.44 1m8b h ASP 14 Ca -0.48 -0.17 -0.60 0.00 -0.62 0.00 0.00 57.03 55.17 1m8b h ASP 14 Cb 1.18 -0.29 -0.09 0.00 0.18 0.00 0.00 39.33 40.31 1m8b h ASP 14 CO 0.66 0.97 -0.48 0.00 -3.12 0.00 0.00 179.24 177.27 1m8b s ALA 15 N -5.58 3.79 0.18 3.45 0.00 -1.26 -5.16 121.76 117.18 1m8b s ALA 15 Ca -0.12 -1.68 0.03 0.00 0.00 0.00 0.00 51.96 50.19 1m8b s ALA 15 Cb 0.16 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 1m8b s ALA 15 CO 0.84 -0.19 -0.04 0.00 0.00 0.00 0.00 175.76 176.37 1m8b s THR 17 N -3.46 4.61 -1.37 0.00 -4.23 -1.26 -4.97 115.64 104.95 1m8b s THR 17 Ca 0.22 1.08 0.19 0.00 -1.18 0.00 0.00 61.69 62.00 1m8b s THR 17 Cb 0.05 -3.62 -0.10 0.00 1.34 0.00 0.00 72.50 70.17 1m8b s THR 17 CO 0.04 -0.27 0.90 0.00 -0.54 0.00 0.00 174.62 174.75 1m8b n LEU 18 N -0.56 1.40 -4.76 4.79 -0.00 -1.26 -4.95 117.00 111.67 1m8b n LEU 18 Ca 0.04 -0.64 -0.38 0.00 -0.00 0.00 0.00 56.01 55.04 1m8b n LEU 18 Cb 0.53 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.96 1m8b n LEU 18 CO 0.41 0.29 0.90 -1.61 -0.00 0.00 0.00 177.39 177.38 1m8b s GLU 19 N -2.48 3.56 -0.59 1.47 8.01 -1.26 -4.97 118.70 122.44 1m8b s GLU 19 Ca 0.12 1.98 -0.17 0.00 0.01 0.00 0.00 54.97 56.91 1m8b s GLU 19 Cb 0.15 -2.39 0.13 0.00 -4.31 0.00 0.00 34.13 27.71 1m8b s GLU 19 CO 0.62 -0.77 0.61 -0.47 0.01 0.00 0.00 175.26 175.26 1m8b s TYR 20 N -1.43 3.19 -0.36 1.61 6.14 -1.26 -4.67 117.35 120.57 1m8b s TYR 20 Ca 0.66 -1.22 0.00 0.00 0.64 0.00 0.00 57.07 57.15 1m8b s TYR 20 Cb -0.34 -3.89 0.12 0.00 0.42 0.00 0.00 41.96 38.27 1m8b s TYR 20 CO 0.41 -1.13 0.16 1.03 0.64 0.00 0.00 175.55 176.65 1m8b s ARG 21 N 1.93 0.90 -0.12 4.97 1.81 0.14 -5.01 118.95 123.56 1m8b s ARG 21 Ca 0.08 -1.42 -0.30 0.00 -1.72 0.00 0.00 55.73 52.37 1m8b s ARG 21 Cb -0.26 -2.05 -0.02 0.00 -0.45 0.00 0.00 34.95 32.17 1m8b s ARG 21 CO 0.03 -1.07 1.25 -1.25 -0.68 0.00 0.00 175.30 173.59 1m8b s PRO 22 N 1.13 4.28 0.11 3.54 0.04 -0.98 -2.41 135.00 140.70 1m8b s PRO 22 Ca 0.13 1.68 0.05 0.00 0.04 0.00 0.00 61.00 62.90 1m8b s PRO 22 Cb -0.20 -3.69 -0.04 0.00 0.04 0.00 0.00 34.50 30.61 1m8b s PRO 22 CO -0.14 -0.61 -0.12 -0.48 0.04 0.00 0.00 177.00 175.70 1m8b s LEU 23 N 3.00 2.41 -0.10 -3.56 0.05 -0.53 0.19 118.68 120.14 1m8b s LEU 23 Ca 0.56 -0.82 0.01 0.00 0.05 0.00 0.00 54.13 53.93 1m8b s LEU 23 Cb -0.23 -0.40 -0.02 0.00 -2.05 0.00 0.00 46.19 43.49 1m8b s LEU 23 CO 0.18 -0.22 -0.13 0.00 -0.55 0.00 0.00 176.35 175.63 1m8b n GLY 25 N 3.10 0.27 0.18 0.00 0.00 0.12 -1.18 105.19 107.68 1m8b n GLY 25 Ca -0.18 -1.97 0.06 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.72 0.00 -0.20 1.61 0.87 -0.50 -2.62 113.55 111.99 1m8b h SER 26 Ca -0.31 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 1m8b h SER 26 Cb 1.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 1m8b h SER 26 CO 0.31 0.34 0.00 -0.90 -0.53 0.00 0.00 176.83 176.05 1m8b n ASP 27 N -3.31 1.14 -2.37 6.23 5.75 -1.26 -4.86 116.55 117.86 1m8b n ASP 27 Ca 0.01 -1.94 -0.13 0.00 -0.01 0.00 0.00 54.79 52.72 1m8b n ASP 27 Cb 0.58 -0.13 0.05 0.00 -1.03 0.00 0.00 41.12 40.58 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 0.10 -3.77 -4.25 -1.12 5.15 -0.99 -5.00 115.26 105.38 1m8b n ASN 28 Ca 0.08 -0.34 -0.36 0.00 -0.60 0.00 0.00 54.58 53.37 1m8b n ASN 28 Cb 0.19 -3.21 -0.14 0.00 -0.53 0.00 0.00 39.78 36.09 1m8b n ASN 28 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1m8b s LYS 29 N -5.46 2.87 -0.47 1.20 -0.14 -1.26 -4.87 119.74 111.61 1m8b s LYS 29 Ca 0.24 -0.98 -0.22 0.00 -1.36 0.00 0.00 55.97 53.64 1m8b s LYS 29 Cb -0.10 -3.17 0.03 0.00 -1.68 0.00 0.00 37.83 32.91 1m8b s LYS 29 CO 0.43 -0.46 0.77 0.99 -0.76 0.00 0.00 175.35 176.33 1m8b s THR 30 N 1.38 4.65 0.32 2.17 2.01 -1.26 -0.70 115.64 124.22 1m8b s THR 30 Ca 0.00 0.23 0.03 0.00 0.31 0.00 0.00 61.69 62.26 1m8b s THR 30 Cb -0.17 -4.34 -0.03 0.00 0.01 0.00 0.00 72.50 67.97 1m8b s THR 30 CO -0.01 -0.79 0.49 -0.31 -0.69 0.00 0.00 174.62 173.31 1m8b s TYR 31 N 3.26 3.41 0.07 4.92 2.02 0.11 -4.91 117.35 126.23 1m8b s TYR 31 Ca 0.27 0.14 -0.04 0.00 -0.37 0.00 0.00 57.07 57.07 1m8b s TYR 31 Cb -0.13 -1.84 -0.28 0.00 -0.40 0.00 0.00 41.96 39.31 1m8b s TYR 31 CO 0.20 0.16 1.11 0.78 -1.57 0.00 0.00 175.55 176.24 1m8b h GLY 32 N 0.88 0.30 -2.57 0.71 0.00 -1.86 -1.40 103.07 99.12 1m8b h GLY 32 Ca -0.50 -0.76 -0.07 0.00 0.00 0.00 0.00 47.33 46.00 1m8b h GLY 32 CO 0.60 0.66 -0.19 0.54 0.00 0.00 0.00 176.54 178.15 1m8b s ASN 33 N -7.11 -0.07 0.19 0.19 2.20 -1.01 0.26 114.94 109.60 1m8b s ASN 33 Ca -0.04 -0.80 0.19 0.00 -0.94 0.00 0.00 52.86 51.26 1m8b s ASN 33 Cb 0.07 0.51 0.84 0.00 -2.00 0.00 0.00 41.25 40.67 1m8b s ASN 33 CO 0.88 -1.00 1.57 1.17 -2.94 0.00 0.00 177.10 176.78 1m8b n LYS 34 N -0.29 0.12 0.04 3.55 4.81 -1.26 -1.91 118.16 123.22 1m8b n LYS 34 Ca -0.06 0.45 -0.13 0.00 -0.87 0.00 0.00 58.31 57.70 1m8b n LYS 34 Cb 0.63 -1.78 -0.09 0.00 0.02 0.00 0.00 35.03 33.81 1m8b n LYS 34 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1m8b h ASN 36 N -0.62 0.77 -0.52 0.00 2.35 -1.82 -1.98 115.58 113.76 1m8b h ASN 36 Ca -0.01 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.42 1m8b h ASN 36 Cb 0.49 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 1m8b h ASN 36 CO 0.02 0.89 0.30 0.15 -1.65 0.00 0.00 177.43 177.14 1m8b h PHE 37 N 0.63 0.69 -0.18 1.19 3.57 -1.39 -0.99 116.94 120.46 1m8b h PHE 37 Ca 0.13 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.65 1m8b h PHE 37 Cb 0.49 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 1m8b h PHE 37 CO 0.04 0.49 -0.02 0.00 -2.23 0.00 0.00 178.31 176.59 1m8b h ASN 39 N 0.03 0.24 0.29 0.00 -0.73 -0.97 0.22 115.58 114.67 1m8b h ASN 39 Ca 0.09 0.00 -0.19 0.00 1.87 0.00 0.00 56.30 58.07 1m8b h ASN 39 Cb 0.12 -0.05 -0.00 0.00 0.27 0.00 0.00 38.32 38.66 1m8b h ASN 39 CO -0.16 0.15 -0.78 0.00 -0.37 0.00 0.00 177.43 176.27 1m8b h ALA 40 N 1.75 0.55 0.82 1.57 0.00 0.51 -1.95 119.26 122.52 1m8b h ALA 40 Ca 0.22 -0.63 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 1m8b h ALA 40 Cb 0.51 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1m8b h ALA 40 CO -0.05 0.78 -0.39 0.28 0.00 0.00 0.00 179.25 179.87 1m8b h VAL 41 N 0.26 0.10 -0.72 0.00 2.07 0.29 0.11 116.25 118.36 1m8b h VAL 41 Ca -0.04 -0.13 0.12 0.00 0.82 0.00 0.00 66.70 67.47 1m8b h VAL 41 Cb 1.36 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 1m8b h VAL 41 CO 0.13 0.01 0.48 -0.37 0.02 0.00 0.00 177.57 177.83 1m8b h VAL 42 N -1.21 0.86 -0.00 2.57 -1.51 -1.21 0.42 116.25 116.17 1m8b h VAL 42 Ca -0.11 -0.17 -0.08 0.00 -1.23 0.00 0.00 66.70 65.11 1m8b h VAL 42 Cb 0.86 0.33 -0.01 0.00 -2.13 0.00 0.00 31.29 30.33 1m8b h VAL 42 CO 0.19 0.09 -0.39 -0.33 -1.23 0.00 0.00 177.57 175.90 1m8b h GLU 43 N 0.50 0.00 -0.11 5.19 5.08 -0.96 -1.36 114.58 122.91 1m8b h GLU 43 Ca 0.34 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1m8b h GLU 43 Cb 0.65 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1m8b h GLU 43 CO -0.11 0.39 0.00 0.45 -1.00 0.00 0.00 179.01 178.73 1m8b n SER 44 N -4.08 0.74 0.00 1.42 2.88 0.13 -4.82 113.62 109.88 1m8b n SER 44 Ca -0.02 -1.80 0.00 0.00 -1.33 0.00 0.00 58.87 55.72 1m8b n SER 44 Cb 0.42 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 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 -0.19 0.00 -0.00 -3.46 2.85 -0.51 -2.99 115.26 110.96 1m8b n ASN 45 Ca 0.09 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.56 1m8b n ASN 45 Cb 0.15 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.17 1m8b n ASN 45 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1m8b n GLY 46 N -2.00 1.72 0.08 8.20 0.00 -0.18 -4.94 105.19 108.06 1m8b n GLY 46 Ca 0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.36 1.04 -1.89 2.61 -2.24 -1.16 -4.97 114.28 106.31 1m8b n THR 47 Ca 0.00 -0.63 -0.42 0.00 -2.27 0.00 0.00 64.05 60.73 1m8b n THR 47 Cb 0.07 -0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 67.65 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 -5.15 4.37 0.21 3.22 2.96 -1.26 -5.00 118.68 118.02 1m8b s LEU 48 Ca -0.08 2.75 0.11 0.00 -0.22 0.00 0.00 54.13 56.68 1m8b s LEU 48 Cb 0.05 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 1m8b s LEU 48 CO 0.61 -0.83 -0.22 0.42 -1.32 0.00 0.00 176.35 175.01 1m8b s THR 49 N 0.51 2.26 -0.11 3.68 -4.23 -1.26 -4.87 115.64 111.62 1m8b s THR 49 Ca 0.66 -2.10 -0.30 0.00 -1.18 0.00 0.00 61.69 58.77 1m8b s THR 49 Cb -0.45 -2.11 -0.01 0.00 1.34 0.00 0.00 72.50 71.27 1m8b s THR 49 CO 0.39 -0.23 1.09 -0.22 -0.54 0.00 0.00 174.62 175.11 1m8b s LEU 50 N -2.87 4.23 -0.13 4.79 2.96 -1.26 0.26 118.68 126.66 1m8b s LEU 50 Ca 0.22 1.61 -0.24 0.00 -0.22 0.00 0.00 54.13 55.50 1m8b s LEU 50 Cb -0.07 -3.55 -0.21 0.00 0.50 0.00 0.00 46.19 42.86 1m8b s LEU 50 CO 0.10 -0.55 0.64 -1.28 -1.32 0.00 0.00 176.35 173.95 1m8b h SER 51 N 7.35 -0.00 -5.53 3.68 0.87 -1.31 -3.45 113.55 115.16 1m8b h SER 51 Ca -0.30 -0.81 0.22 0.00 -1.23 0.00 0.00 61.79 59.67 1m8b h SER 51 Cb 1.13 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.04 1m8b h SER 51 CO 0.89 0.90 0.66 -1.38 -0.53 0.00 0.00 176.83 177.37 1m8b s HIS 52 N -2.14 0.02 0.50 2.24 0.00 -1.00 -5.00 115.29 109.90 1m8b s HIS 52 Ca -0.16 -0.31 -0.00 0.00 -3.00 0.00 0.00 55.06 51.59 1m8b s HIS 52 Cb -0.02 0.65 0.01 0.00 -4.00 0.00 0.00 32.58 29.21 1m8b s HIS 52 CO 0.57 -0.70 0.73 -0.06 -1.00 0.00 0.00 174.74 174.28 1m8b s PHE 53 N -2.34 3.13 0.26 0.38 0.08 -1.26 -1.81 117.98 116.42 1m8b s PHE 53 Ca 0.21 0.23 0.00 0.00 0.12 0.00 0.00 56.93 57.49 1m8b s PHE 53 Cb -0.01 -2.49 0.00 0.00 -0.57 0.00 0.00 43.02 39.95 1m8b s PHE 53 CO 0.03 -0.56 0.00 0.41 -0.10 0.00 0.00 175.22 175.00 1m8b n GLY 54 N -2.22 -3.44 3.51 4.36 0.00 0.51 -4.69 105.19 103.21 1m8b n GLY 54 Ca 0.03 -1.07 -0.46 0.00 0.00 0.00 0.00 46.02 44.52 1m8b n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1m8b n LYS 55 N -1.79 0.76 0.00 1.61 0.00 -1.03 -3.73 118.16 113.98 1m8b n LYS 55 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 58.31 58.58 1m8b n LYS 55 Cb 0.17 -1.48 0.00 0.00 0.00 0.00 0.00 35.03 33.73 1m8b n LYS 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40