#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 -2.75 1.96 0.00 -1.26 -5.00 120.51 113.47 1m8b n ALA 2 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1m8b n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 1.63 -2.60 -2.62 0.00 0.00 -1.26 -5.05 120.51 110.61 1m8b n ALA 3 Ca 0.00 0.38 -0.28 0.00 0.00 0.00 0.00 53.44 53.54 1m8b n ALA 3 Cb 0.00 -2.01 -0.11 0.00 0.00 0.00 0.00 19.45 17.33 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 -2.75 1.87 -0.02 0.00 0.11 -1.26 -5.08 120.40 113.27 1m8b s VAL 4 Ca 0.08 -2.00 0.03 0.00 -2.93 0.00 0.00 61.98 57.16 1m8b s VAL 4 Cb -0.02 -2.91 -0.00 0.00 -1.53 0.00 0.00 36.38 31.91 1m8b s VAL 4 CO 0.64 0.00 -0.09 -0.55 -3.33 0.00 0.00 175.10 171.77 1m8b s SER 5 N -3.71 1.18 0.26 3.54 0.15 -1.26 -4.54 113.70 109.33 1m8b s SER 5 Ca 0.33 -0.18 -0.02 0.00 0.70 0.00 0.00 55.95 56.78 1m8b s SER 5 Cb 0.09 -0.25 -0.04 0.00 -1.71 0.00 0.00 66.02 64.11 1m8b s SER 5 CO 0.17 0.09 0.48 0.68 1.20 0.00 0.00 173.24 175.85 1m8b s VAL 6 N 0.04 5.13 0.07 4.45 -7.23 -1.26 -5.03 120.40 116.57 1m8b s VAL 6 Ca -0.01 -0.27 -0.31 0.00 -1.81 0.00 0.00 61.98 59.58 1m8b s VAL 6 Cb -0.07 -3.77 -0.08 0.00 0.56 0.00 0.00 36.38 33.02 1m8b s VAL 6 CO 0.00 -0.31 1.67 -0.62 -0.31 0.00 0.00 175.10 175.53 1m8b s ASP 7 N -3.39 6.59 -0.10 4.85 2.15 -1.26 -4.81 116.67 120.70 1m8b s ASP 7 Ca 0.40 2.51 0.09 0.00 0.43 0.00 0.00 52.55 55.98 1m8b s ASP 7 Cb -0.10 -2.56 0.20 0.00 -0.30 0.00 0.00 42.92 40.15 1m8b s ASP 7 CO 0.31 -0.90 1.16 0.00 -0.17 0.00 0.00 175.17 175.57 1m8b n SER 9 N -0.32 6.60 -0.83 0.00 2.88 -1.26 -4.30 113.62 116.39 1m8b n SER 9 Ca -0.18 -3.78 -0.05 0.00 -1.33 0.00 0.00 58.87 53.53 1m8b n SER 9 Cb 0.82 -0.78 -0.05 0.00 -0.75 0.00 0.00 64.21 63.46 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 -0.72 0.00 -3.93 -1.46 0.00 -1.26 -5.14 120.64 108.13 1m8b n GLU 10 Ca 0.53 -0.69 -0.22 0.00 0.00 0.00 0.00 57.16 56.78 1m8b n GLU 10 Cb 0.63 0.38 -0.04 0.00 0.00 0.00 0.00 31.44 32.41 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 2.90 0.28 -1.84 1.51 -1.26 -3.87 117.35 115.06 1m8b s TYR 11 Ca 0.00 -0.28 -0.29 0.00 -1.01 0.00 0.00 57.07 55.49 1m8b s TYR 11 Cb 0.00 -1.68 -0.09 0.00 -0.11 0.00 0.00 41.96 40.08 1m8b s TYR 11 CO 0.00 0.29 1.08 -1.25 -1.11 0.00 0.00 175.55 174.56 1m8b s PRO 12 N -3.93 4.66 0.21 -1.71 0.04 -1.26 -5.00 135.00 128.01 1m8b s PRO 12 Ca 0.39 1.77 -0.11 0.00 0.04 0.00 0.00 61.00 63.08 1m8b s PRO 12 Cb -0.06 -3.19 -0.07 0.00 0.04 0.00 0.00 34.50 31.22 1m8b s PRO 12 CO 0.25 0.24 0.56 0.15 0.04 0.00 0.00 177.00 178.24 1m8b s LYS 13 N -1.43 3.86 -0.34 4.56 1.02 -1.25 -4.97 119.74 121.19 1m8b s LYS 13 Ca 0.44 0.35 -0.02 0.00 0.02 0.00 0.00 55.97 56.76 1m8b s LYS 13 Cb -0.31 -2.71 0.13 0.00 -0.52 0.00 0.00 37.83 34.41 1m8b s LYS 13 CO 0.40 0.35 2.38 -3.47 -0.92 0.00 0.00 175.35 174.09 1m8b n ASP 14 N 0.11 6.38 -3.18 2.83 -0.08 -1.26 -4.84 116.55 116.51 1m8b n ASP 14 Ca -0.01 -3.07 -0.01 0.00 -1.51 0.00 0.00 54.79 50.19 1m8b n ASP 14 Cb 0.52 -1.14 0.02 0.00 2.34 0.00 0.00 41.12 42.86 1m8b n ASP 14 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1m8b n ALA 15 N 0.68 -2.64 -3.51 -1.67 0.00 -1.26 -5.19 120.51 106.91 1m8b n ALA 15 Ca 0.37 -0.84 -0.08 0.00 0.00 0.00 0.00 53.44 52.89 1m8b n ALA 15 Cb 0.59 0.38 -0.02 0.00 0.00 0.00 0.00 19.45 20.39 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 -2.61 3.18 -0.11 0.00 -4.23 -1.26 -5.02 115.64 105.58 1m8b s THR 17 Ca 0.15 -1.27 0.16 0.00 -1.18 0.00 0.00 61.69 59.55 1m8b s THR 17 Cb -0.00 -2.45 -0.16 0.00 1.34 0.00 0.00 72.50 71.23 1m8b s THR 17 CO 0.11 0.17 0.74 0.00 -0.54 0.00 0.00 174.62 175.10 1m8b n LEU 18 N 0.93 0.78 -4.74 4.79 -0.00 -1.26 -4.92 117.00 112.58 1m8b n LEU 18 Ca -0.15 0.35 -0.34 0.00 -0.00 0.00 0.00 56.01 55.87 1m8b n LEU 18 Cb 0.52 0.11 0.08 0.00 -0.00 0.00 0.00 43.42 44.13 1m8b n LEU 18 CO 0.31 0.20 0.79 -1.83 -0.00 0.00 0.00 177.39 176.86 1m8b s GLU 19 N -2.87 2.38 -0.25 1.47 1.03 -1.26 -5.01 118.70 114.19 1m8b s GLU 19 Ca -0.04 1.70 -0.04 0.00 0.03 0.00 0.00 54.97 56.62 1m8b s GLU 19 Cb 0.09 -1.87 0.01 0.00 -0.80 0.00 0.00 34.13 31.56 1m8b s GLU 19 CO 0.82 -1.64 -0.02 -0.47 -1.33 0.00 0.00 175.26 172.62 1m8b s TYR 20 N -2.00 3.05 -0.29 4.83 5.04 -1.26 -4.81 117.35 121.90 1m8b s TYR 20 Ca 0.73 -1.19 -0.02 0.00 -2.44 0.00 0.00 57.07 54.15 1m8b s TYR 20 Cb -0.28 -2.13 0.12 0.00 0.35 0.00 0.00 41.96 40.03 1m8b s TYR 20 CO 0.43 -0.63 0.24 1.03 -1.34 0.00 0.00 175.55 175.28 1m8b s ARG 21 N 1.42 0.28 -0.14 4.97 3.00 0.25 -5.04 118.95 123.69 1m8b s ARG 21 Ca 0.03 -0.29 -0.29 0.00 0.00 0.00 0.00 55.73 55.17 1m8b s ARG 21 Cb -0.16 -0.84 -0.02 0.00 0.00 0.00 0.00 34.95 33.93 1m8b s ARG 21 CO -0.02 -1.03 1.26 -1.25 0.00 0.00 0.00 175.30 174.26 1m8b s PRO 22 N 2.25 4.26 0.26 3.54 0.04 -1.11 -3.34 135.00 140.90 1m8b s PRO 22 Ca 0.09 1.68 0.07 0.00 0.04 0.00 0.00 61.00 62.88 1m8b s PRO 22 Cb -0.15 -3.72 -0.05 0.00 0.04 0.00 0.00 34.50 30.62 1m8b s PRO 22 CO -0.34 -0.65 -0.08 -0.48 0.04 0.00 0.00 177.00 175.48 1m8b s LEU 23 N 3.23 2.50 -0.10 -3.56 2.34 -0.43 0.18 118.68 122.83 1m8b s LEU 23 Ca 0.55 -1.14 0.03 0.00 0.06 0.00 0.00 54.13 53.63 1m8b s LEU 23 Cb -0.23 -0.66 0.01 0.00 -0.56 0.00 0.00 46.19 44.75 1m8b s LEU 23 CO 0.16 -0.29 -0.20 0.00 -1.06 0.00 0.00 176.35 174.96 1m8b n GLY 25 N 3.70 -0.20 0.20 0.00 0.00 -0.20 -0.92 105.19 107.78 1m8b n GLY 25 Ca -0.20 -1.90 0.10 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.95 0.00 -0.15 1.61 0.87 -0.52 -2.79 113.55 111.62 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 1.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1m8b h SER 26 CO 0.30 0.17 0.00 -0.90 -0.53 0.00 0.00 176.83 175.87 1m8b n ASP 27 N -3.17 0.95 -2.38 6.23 5.75 -1.26 -4.86 116.55 117.81 1m8b n ASP 27 Ca 0.03 -1.85 -0.13 0.00 -0.01 0.00 0.00 54.79 52.82 1m8b n ASP 27 Cb 0.55 -0.10 0.05 0.00 -1.03 0.00 0.00 41.12 40.59 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 -0.05 -4.05 -4.23 -1.12 5.15 -1.05 -5.01 115.26 104.91 1m8b n ASN 28 Ca 0.09 -0.33 -0.35 0.00 -0.60 0.00 0.00 54.58 53.39 1m8b n ASN 28 Cb 0.17 -3.23 -0.14 0.00 -0.53 0.00 0.00 39.78 36.05 1m8b n ASN 28 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1m8b s LYS 29 N -5.57 2.86 -0.49 1.20 2.36 -1.26 -4.89 119.74 113.95 1m8b s LYS 29 Ca 0.27 -0.97 -0.24 0.00 -2.55 0.00 0.00 55.97 52.49 1m8b s LYS 29 Cb -0.12 -3.07 0.03 0.00 -1.05 0.00 0.00 37.83 33.62 1m8b s LYS 29 CO 0.44 -0.42 0.86 0.99 1.55 0.00 0.00 175.35 178.77 1m8b s THR 30 N 1.35 4.54 0.38 3.43 2.01 -1.26 -1.04 115.64 125.06 1m8b s THR 30 Ca 0.00 0.40 0.02 0.00 0.31 0.00 0.00 61.69 62.43 1m8b s THR 30 Cb -0.17 -4.41 -0.02 0.00 0.01 0.00 0.00 72.50 67.91 1m8b s THR 30 CO -0.03 -0.87 0.57 -0.31 -0.69 0.00 0.00 174.62 173.29 1m8b s TYR 31 N 3.57 3.31 -0.12 4.92 2.02 0.90 -4.91 117.35 127.03 1m8b s TYR 31 Ca 0.31 0.17 -0.05 0.00 -0.37 0.00 0.00 57.07 57.12 1m8b s TYR 31 Cb -0.12 -2.07 -0.26 0.00 -0.40 0.00 0.00 41.96 39.11 1m8b s TYR 31 CO 0.22 -0.08 0.37 0.41 -1.57 0.00 0.00 175.55 174.89 1m8b n GLY 32 N -1.86 -0.58 3.11 0.71 0.00 -1.26 -1.31 105.19 104.00 1m8b n GLY 32 Ca -0.02 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 1m8b n GLY 32 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1m8b s ASN 33 N -6.96 0.49 0.26 1.61 0.01 -1.21 -0.58 114.94 108.56 1m8b s ASN 33 Ca -0.21 -1.06 0.22 0.00 -0.71 0.00 0.00 52.86 51.09 1m8b s ASN 33 Cb 0.07 0.22 1.00 0.00 0.41 0.00 0.00 41.25 42.95 1m8b s ASN 33 CO 0.77 -0.63 1.66 1.17 -1.51 0.00 0.00 177.10 178.56 1m8b n LYS 34 N 0.04 0.16 0.01 -0.60 4.81 -1.26 -1.88 118.16 119.43 1m8b n LYS 34 Ca -0.11 0.49 -0.13 0.00 -0.87 0.00 0.00 58.31 57.69 1m8b n LYS 34 Cb 0.62 -1.88 -0.10 0.00 0.02 0.00 0.00 35.03 33.70 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 -0.58 0.85 -0.31 0.00 2.35 -1.83 -1.34 115.58 114.72 1m8b h ASN 36 Ca -0.01 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.47 1m8b h ASN 36 Cb 0.51 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 1m8b h ASN 36 CO 0.01 0.89 0.14 0.15 -1.65 0.00 0.00 177.43 176.98 1m8b h PHE 37 N 0.77 0.45 -0.22 1.19 3.04 -1.37 -0.49 116.94 120.30 1m8b h PHE 37 Ca 0.16 -0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.12 1m8b h PHE 37 Cb 0.41 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.74 1m8b h PHE 37 CO 0.03 0.41 0.01 0.00 -2.02 0.00 0.00 178.31 176.73 1m8b h ASN 39 N 0.08 0.00 0.78 0.00 -0.73 -0.97 0.26 115.58 114.99 1m8b h ASN 39 Ca 0.10 0.00 -0.19 0.00 1.87 0.00 0.00 56.30 58.08 1m8b h ASN 39 Cb 0.12 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.69 1m8b h ASN 39 CO -0.17 0.00 -0.88 0.00 -0.37 0.00 0.00 177.43 176.01 1m8b h ALA 40 N 1.92 0.54 0.53 1.57 0.00 1.00 -2.00 119.26 122.83 1m8b h ALA 40 Ca 0.05 -0.77 -0.03 0.00 0.00 0.00 0.00 54.91 54.16 1m8b h ALA 40 Cb 0.24 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1m8b h ALA 40 CO -0.00 1.03 -0.26 0.28 0.00 0.00 0.00 179.25 180.30 1m8b h VAL 41 N 0.03 0.07 -0.85 0.00 2.07 0.30 0.28 116.25 118.14 1m8b h VAL 41 Ca -0.02 -0.48 0.13 0.00 0.82 0.00 0.00 66.70 67.14 1m8b h VAL 41 Cb 1.54 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 31.36 1m8b h VAL 41 CO 0.12 0.01 0.55 -0.37 0.02 0.00 0.00 177.57 177.91 1m8b h VAL 42 N -1.16 0.87 -0.12 2.57 -1.51 -1.19 1.70 116.25 117.40 1m8b h VAL 42 Ca -0.07 -0.24 -0.09 0.00 -1.23 0.00 0.00 66.70 65.07 1m8b h VAL 42 Cb 0.57 0.12 -0.01 0.00 -2.13 0.00 0.00 31.29 29.84 1m8b h VAL 42 CO 0.12 0.13 -0.34 -0.33 -1.23 0.00 0.00 177.57 175.91 1m8b h GLU 43 N 0.69 0.24 -1.44 5.19 5.08 -1.31 -2.78 114.58 120.25 1m8b h GLU 43 Ca 0.42 -0.10 -0.45 0.00 -1.00 0.00 0.00 59.36 58.22 1m8b h GLU 43 Cb 0.64 -0.01 -0.19 0.00 0.50 0.00 0.00 28.75 29.69 1m8b h GLU 43 CO -0.18 0.56 0.56 0.43 -1.00 0.00 0.00 179.01 179.39 1m8b n SER 44 N -4.08 6.85 -1.25 1.42 7.64 0.10 -4.75 113.62 119.55 1m8b n SER 44 Ca -0.01 -3.30 -0.14 0.00 1.01 0.00 0.00 58.87 56.42 1m8b n SER 44 Cb 0.43 -1.06 -0.06 0.00 -1.01 0.00 0.00 64.21 62.51 1m8b n SER 44 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1m8b n ASN 45 N 0.03 -4.47 -1.79 6.43 2.85 -1.05 0.00 115.26 117.26 1m8b n ASN 45 Ca 0.42 0.35 -0.15 0.00 -0.11 0.00 0.00 54.58 55.08 1m8b n ASN 45 Cb 0.59 -3.81 -0.00 0.00 1.24 0.00 0.00 39.78 37.79 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 -0.13 -0.24 0.08 8.20 0.00 0.54 -4.89 105.19 108.74 1m8b n GLY 46 Ca -0.14 -0.23 -0.04 0.00 0.00 0.00 0.00 46.02 45.61 1m8b n GLY 46 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1m8b n THR 47 N -4.04 1.06 -1.69 2.61 5.66 0.10 -4.93 114.28 113.06 1m8b n THR 47 Ca -0.17 -0.75 -0.44 0.00 -3.05 0.00 0.00 64.05 59.64 1m8b n THR 47 Cb 0.63 -0.42 -0.04 0.00 -1.55 0.00 0.00 70.33 68.95 1m8b n THR 47 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1m8b n LEU 48 N -2.67 3.73 -4.50 1.09 0.00 -1.25 -4.98 117.00 108.41 1m8b n LEU 48 Ca -0.22 1.03 -0.28 0.00 0.00 0.00 0.00 56.01 56.53 1m8b n LEU 48 Cb 0.98 -1.50 -0.11 0.00 0.00 0.00 0.00 43.42 42.79 1m8b n LEU 48 CO 0.44 0.03 -0.47 0.42 0.00 0.00 0.00 177.39 177.81 1m8b s THR 49 N 2.07 2.88 -0.10 1.96 -4.23 -1.26 -4.81 115.64 112.15 1m8b s THR 49 Ca 0.81 -1.61 -0.30 0.00 -1.18 0.00 0.00 61.69 59.42 1m8b s THR 49 Cb -0.56 -2.36 -0.03 0.00 1.34 0.00 0.00 72.50 70.90 1m8b s THR 49 CO 0.38 0.02 1.21 -0.22 -0.54 0.00 0.00 174.62 175.47 1m8b s LEU 50 N -2.39 4.24 -0.16 4.79 1.98 -1.26 0.24 118.68 126.12 1m8b s LEU 50 Ca 0.20 1.76 -0.26 0.00 -2.89 0.00 0.00 54.13 52.94 1m8b s LEU 50 Cb -0.10 -3.55 -0.24 0.00 0.66 0.00 0.00 46.19 42.96 1m8b s LEU 50 CO 0.11 -0.64 0.61 -1.28 -1.89 0.00 0.00 176.35 173.26 1m8b h SER 51 N 7.68 0.02 -5.61 3.68 0.87 -1.20 -3.42 113.55 115.59 1m8b h SER 51 Ca -0.31 -0.85 0.26 0.00 -1.23 0.00 0.00 61.79 59.66 1m8b h SER 51 Cb 1.14 -0.01 -0.08 0.00 -0.44 0.00 0.00 62.40 63.01 1m8b h SER 51 CO 0.91 1.17 0.71 -1.38 -0.53 0.00 0.00 176.83 177.71 1m8b s HIS 52 N -2.27 -0.02 0.38 2.24 -3.43 -0.82 -4.16 115.29 107.21 1m8b s HIS 52 Ca -0.22 -0.20 0.03 0.00 -0.80 0.00 0.00 55.06 53.87 1m8b s HIS 52 Cb -0.00 0.61 -0.01 0.00 -1.43 0.00 0.00 32.58 31.74 1m8b s HIS 52 CO 0.67 -0.55 0.56 -0.06 -2.00 0.00 0.00 174.74 173.36 1m8b s PHE 53 N -2.47 3.22 0.14 0.38 0.40 -1.26 -0.97 117.98 117.43 1m8b s PHE 53 Ca 0.19 0.04 0.00 0.00 -0.60 0.00 0.00 56.93 56.56 1m8b s PHE 53 Cb 0.01 -2.09 0.00 0.00 0.51 0.00 0.00 43.02 41.44 1m8b s PHE 53 CO 0.00 -0.12 0.00 0.41 0.70 0.00 0.00 175.22 176.21 1m8b n GLY 54 N -1.83 -3.02 3.44 4.36 0.00 0.47 -4.74 105.19 103.87 1m8b n GLY 54 Ca -0.01 -1.23 -0.51 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.94 0.07 0.00 1.61 4.76 -1.22 -4.01 118.16 117.44 1m8b n LYS 55 Ca -0.01 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1m8b n LYS 55 Cb 0.12 -1.21 0.00 0.00 -1.84 0.00 0.00 35.03 32.10 1m8b n LYS 55 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03