#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 -3.35 -3.04 -1.18 0.00 -1.26 -4.68 120.51 106.99 1m8b n ALA 2 Ca 0.00 0.60 -0.24 0.00 0.00 0.00 0.00 53.44 53.80 1m8b n ALA 2 Cb 0.00 -1.27 -0.04 0.00 0.00 0.00 0.00 19.45 18.14 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 -3.12 3.73 -3.13 0.00 0.00 -1.26 -5.05 120.51 111.67 1m8b n ALA 3 Ca -0.03 -4.25 -0.12 0.00 0.00 0.00 0.00 53.44 49.04 1m8b n ALA 3 Cb 0.60 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 19.21 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 -3.68 0.00 -0.30 0.00 0.11 -1.26 -5.16 120.40 110.11 1m8b s VAL 4 Ca 0.45 -1.44 -0.18 0.00 -2.93 0.00 0.00 61.98 57.89 1m8b s VAL 4 Cb 0.30 -2.59 0.17 0.00 -1.53 0.00 0.00 36.38 32.73 1m8b s VAL 4 CO -0.12 0.00 1.22 -0.44 -3.33 0.00 0.00 175.10 172.43 1m8b s SER 5 N -3.15 -0.09 -0.59 3.54 0.01 -1.26 -5.09 113.70 107.07 1m8b s SER 5 Ca 0.26 0.05 -0.19 0.00 1.31 0.00 0.00 55.95 57.37 1m8b s SER 5 Cb -0.01 1.07 0.09 0.00 0.21 0.00 0.00 66.02 67.38 1m8b s SER 5 CO 0.16 -0.02 0.74 0.68 0.41 0.00 0.00 173.24 175.21 1m8b s VAL 6 N 2.99 4.75 0.22 3.43 -7.23 -1.26 -5.02 120.40 118.28 1m8b s VAL 6 Ca -0.04 -0.85 -0.30 0.00 -1.81 0.00 0.00 61.98 58.98 1m8b s VAL 6 Cb -0.07 -4.50 -0.09 0.00 0.56 0.00 0.00 36.38 32.27 1m8b s VAL 6 CO -0.09 -1.15 1.40 -0.62 -0.31 0.00 0.00 175.10 174.33 1m8b s ASP 7 N 3.54 6.75 -0.05 4.85 -1.08 -1.26 -4.89 116.67 124.53 1m8b s ASP 7 Ca 0.13 2.55 0.08 0.00 -0.52 0.00 0.00 52.55 54.79 1m8b s ASP 7 Cb -0.23 -2.61 0.12 0.00 -1.46 0.00 0.00 42.92 38.74 1m8b s ASP 7 CO 0.07 -0.64 1.04 0.00 0.52 0.00 0.00 175.17 176.16 1m8b n SER 9 N -0.84 5.52 -0.78 0.00 7.64 -1.26 -2.93 113.62 120.97 1m8b n SER 9 Ca 0.06 -2.42 -0.04 0.00 1.01 0.00 0.00 58.87 57.48 1m8b n SER 9 Cb 0.44 -1.33 -0.04 0.00 -1.01 0.00 0.00 64.21 62.26 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 2.82 0.00 -4.27 1.43 -0.00 -1.26 -5.15 120.64 114.21 1m8b n GLU 10 Ca 0.47 -0.61 -0.23 0.00 -0.00 0.00 0.00 57.16 56.79 1m8b n GLU 10 Cb 0.69 0.43 -0.07 0.00 -0.00 0.00 0.00 31.44 32.49 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 2.68 0.44 -1.84 1.51 -1.15 -3.90 117.35 115.09 1m8b s TYR 11 Ca 0.00 -0.27 -0.22 0.00 -1.01 0.00 0.00 57.07 55.57 1m8b s TYR 11 Cb 0.00 -1.29 -0.09 0.00 -0.11 0.00 0.00 41.96 40.47 1m8b s TYR 11 CO 0.00 0.56 1.05 -1.25 -1.11 0.00 0.00 175.55 174.80 1m8b s PRO 12 N -3.70 3.98 0.12 -1.71 0.04 -1.26 -5.05 135.00 127.42 1m8b s PRO 12 Ca 0.33 1.45 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 1m8b s PRO 12 Cb -0.05 -2.33 -0.06 0.00 0.04 0.00 0.00 34.50 32.10 1m8b s PRO 12 CO 0.20 -0.29 0.46 0.15 0.04 0.00 0.00 177.00 177.56 1m8b s LYS 13 N -2.85 3.81 -0.34 4.56 1.02 -1.25 -4.97 119.74 119.72 1m8b s LYS 13 Ca 0.62 0.25 -0.04 0.00 0.02 0.00 0.00 55.97 56.83 1m8b s LYS 13 Cb -0.20 -2.93 0.02 0.00 -0.52 0.00 0.00 37.83 34.21 1m8b s LYS 13 CO 0.24 0.50 2.80 -0.40 -0.92 0.00 0.00 175.35 177.57 1m8b n ASP 14 N 0.69 6.22 0.00 2.83 5.75 -1.26 -4.83 116.55 125.94 1m8b n ASP 14 Ca -0.06 -3.03 0.00 0.00 -0.01 0.00 0.00 54.79 51.69 1m8b n ASP 14 Cb 0.52 -1.24 0.00 0.00 -1.03 0.00 0.00 41.12 39.37 1m8b n ASP 14 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1m8b n ALA 15 N 1.11 0.00 -2.30 2.12 0.00 -1.26 -5.19 120.51 114.99 1m8b n ALA 15 Ca 0.44 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.76 1m8b n ALA 15 Cb 0.62 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.98 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 -4.15 5.10 -0.15 0.00 -4.23 -1.26 -4.99 115.64 105.97 1m8b s THR 17 Ca 0.37 0.38 0.18 0.00 -1.18 0.00 0.00 61.69 61.44 1m8b s THR 17 Cb 0.06 -3.64 -0.07 0.00 1.34 0.00 0.00 72.50 70.19 1m8b s THR 17 CO 0.12 0.23 0.98 0.17 -0.54 0.00 0.00 174.62 175.58 1m8b h LEU 18 N 3.52 0.00-10.21 4.79 8.10 -2.02 -3.47 115.31 116.01 1m8b h LEU 18 Ca -0.48 0.00 -0.53 0.00 0.11 0.00 0.00 57.88 56.97 1m8b h LEU 18 Cb 1.19 0.00 0.18 0.00 -0.44 0.00 0.00 40.66 41.59 1m8b h LEU 18 CO 0.68 0.45 0.33 -1.61 -4.11 0.00 0.00 178.44 174.18 1m8b s GLU 19 N -3.02 1.62 -0.33 0.17 8.01 -1.26 -4.99 118.70 118.90 1m8b s GLU 19 Ca -0.01 1.73 -0.01 0.00 0.01 0.00 0.00 54.97 56.69 1m8b s GLU 19 Cb 0.09 -1.78 0.07 0.00 -4.31 0.00 0.00 34.13 28.20 1m8b s GLU 19 CO 0.79 -2.22 0.06 -0.47 0.01 0.00 0.00 175.26 173.43 1m8b s TYR 20 N -2.19 3.40 -0.31 1.61 6.14 -1.26 -4.76 117.35 119.97 1m8b s TYR 20 Ca 0.72 -2.14 -0.02 0.00 0.64 0.00 0.00 57.07 56.27 1m8b s TYR 20 Cb -0.28 -2.48 0.11 0.00 0.42 0.00 0.00 41.96 39.73 1m8b s TYR 20 CO 0.51 -0.87 0.15 1.03 0.64 0.00 0.00 175.55 177.01 1m8b s ARG 21 N 1.18 0.38 -0.73 4.97 1.81 0.82 -5.03 118.95 122.36 1m8b s ARG 21 Ca -0.00 -0.85 -0.26 0.00 -1.72 0.00 0.00 55.73 52.90 1m8b s ARG 21 Cb -0.20 -1.34 0.00 0.00 -0.45 0.00 0.00 34.95 32.96 1m8b s ARG 21 CO -0.03 -1.07 1.59 -1.25 -0.68 0.00 0.00 175.30 173.86 1m8b s PRO 22 N 1.73 2.95 0.15 3.54 0.04 -1.01 -3.03 135.00 139.36 1m8b s PRO 22 Ca 0.12 0.01 0.03 0.00 0.04 0.00 0.00 61.00 61.19 1m8b s PRO 22 Cb -0.18 -4.45 -0.04 0.00 0.04 0.00 0.00 34.50 29.87 1m8b s PRO 22 CO -0.25 -2.50 0.27 -0.48 0.04 0.00 0.00 177.00 174.08 1m8b s LEU 23 N 7.38 4.28 -0.16 -3.56 2.34 -0.12 0.18 118.68 129.02 1m8b s LEU 23 Ca 0.52 0.14 -0.01 0.00 0.06 0.00 0.00 54.13 54.84 1m8b s LEU 23 Cb -0.09 -2.86 -0.01 0.00 -0.56 0.00 0.00 46.19 42.67 1m8b s LEU 23 CO 0.14 0.06 -0.10 0.00 -1.06 0.00 0.00 176.35 175.38 1m8b s GLY 25 N 0.67 1.80 0.46 0.00 0.00 0.43 -0.84 107.32 109.84 1m8b s GLY 25 Ca -0.05 -1.48 0.26 0.00 0.00 0.00 0.00 44.72 43.45 1m8b s GLY 25 CO 0.02 -0.71 1.83 0.23 0.00 0.00 0.00 173.10 174.47 1m8b h SER 26 N -1.43 0.00 -0.32 1.64 0.87 -1.04 -2.23 113.55 111.04 1m8b h SER 26 Ca -0.41 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1m8b h SER 26 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1m8b h SER 26 CO 0.34 0.15 0.00 -0.90 -0.53 0.00 0.00 176.83 175.89 1m8b n ASP 27 N -3.26 2.93 -3.58 6.23 5.75 -1.26 -4.86 116.55 118.49 1m8b n ASP 27 Ca 0.01 -2.31 -0.23 0.00 -0.01 0.00 0.00 54.79 52.25 1m8b n ASP 27 Cb 0.42 -0.48 0.08 0.00 -1.03 0.00 0.00 41.12 40.11 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 -5.60 -4.33 -1.12 5.15 -0.84 -4.97 115.26 103.95 1m8b n ASN 28 Ca 0.14 -0.56 -0.35 0.00 -0.60 0.00 0.00 54.58 53.20 1m8b n ASN 28 Cb 0.59 -5.02 -0.14 0.00 -0.53 0.00 0.00 39.78 34.69 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 -6.17 3.38 -0.24 1.20 -0.14 -1.25 -4.86 119.74 111.66 1m8b s LYS 29 Ca 0.49 -0.63 -0.22 0.00 -1.36 0.00 0.00 55.97 54.25 1m8b s LYS 29 Cb -0.22 -3.10 -0.02 0.00 -1.68 0.00 0.00 37.83 32.82 1m8b s LYS 29 CO 0.73 -0.23 0.69 0.99 -0.76 0.00 0.00 175.35 176.78 1m8b s THR 30 N 1.50 4.94 -0.11 2.17 2.01 -1.26 -0.43 115.64 124.46 1m8b s THR 30 Ca 0.05 1.27 0.00 0.00 0.31 0.00 0.00 61.69 63.33 1m8b s THR 30 Cb -0.15 -3.99 -0.02 0.00 0.01 0.00 0.00 72.50 68.35 1m8b s THR 30 CO -0.02 0.01 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.51 1m8b s TYR 31 N 2.52 2.84 0.25 4.92 2.02 0.85 -4.94 117.35 125.82 1m8b s TYR 31 Ca 0.29 -0.41 -0.03 0.00 -0.37 0.00 0.00 57.07 56.56 1m8b s TYR 31 Cb -0.15 -1.81 0.51 0.00 -0.40 0.00 0.00 41.96 40.11 1m8b s TYR 31 CO 0.08 -0.04 1.72 0.78 -1.57 0.00 0.00 175.55 176.53 1m8b h GLY 32 N 6.26 1.20 -1.55 0.71 0.00 -1.86 -0.29 103.07 107.54 1m8b h GLY 32 Ca -0.33 -0.14 -0.35 0.00 0.00 0.00 0.00 47.33 46.51 1m8b h GLY 32 CO 0.55 -0.14 -0.27 0.70 0.00 0.00 0.00 176.54 177.38 1m8b n ASN 33 N -5.03 -1.01 0.11 0.19 3.02 -1.17 -0.13 115.26 111.25 1m8b n ASN 33 Ca 0.16 -2.91 0.11 0.00 -0.03 0.00 0.00 54.58 51.91 1m8b n ASN 33 Cb 0.46 2.03 0.46 0.00 -0.61 0.00 0.00 39.78 42.12 1m8b n ASN 33 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1m8b n LYS 34 N -0.57 0.16 0.01 3.52 4.81 -1.26 -1.83 118.16 122.99 1m8b n LYS 34 Ca 0.04 0.41 -0.13 0.00 -0.87 0.00 0.00 58.31 57.76 1m8b n LYS 34 Cb 0.56 -1.81 -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 -0.64 0.97 -0.14 0.00 2.35 -1.86 -0.01 115.58 116.26 1m8b h ASN 36 Ca -0.01 -0.30 -0.01 0.00 -0.55 0.00 0.00 56.30 55.44 1m8b h ASN 36 Cb 0.55 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1m8b h ASN 36 CO 0.01 1.03 0.05 0.15 -1.65 0.00 0.00 177.43 177.03 1m8b h PHE 37 N 0.89 0.21 -0.92 1.19 3.57 -1.38 -1.96 116.94 118.54 1m8b h PHE 37 Ca 0.16 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 1m8b h PHE 37 Cb 0.52 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 1m8b h PHE 37 CO 0.04 0.30 0.56 0.00 -2.23 0.00 0.00 178.31 176.98 1m8b h ASN 39 N 1.26 0.79 1.06 0.00 -0.73 -0.61 0.84 115.58 118.19 1m8b h ASN 39 Ca 0.33 0.02 -0.19 0.00 1.87 0.00 0.00 56.30 58.33 1m8b h ASN 39 Cb -0.07 -0.14 -0.03 0.00 0.27 0.00 0.00 38.32 38.35 1m8b h ASN 39 CO -0.06 0.47 -0.96 0.00 -0.37 0.00 0.00 177.43 176.51 1m8b h ALA 40 N 1.56 0.48 0.54 1.57 0.00 -0.37 -2.51 119.26 120.53 1m8b h ALA 40 Ca 0.41 -0.84 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1m8b h ALA 40 Cb 0.40 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.13 1m8b h ALA 40 CO -0.17 1.11 -0.26 0.28 0.00 0.00 0.00 179.25 180.21 1m8b h VAL 41 N 0.00 0.00 -0.12 0.00 2.07 0.25 -0.20 116.25 118.25 1m8b h VAL 41 Ca -0.04 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.08 1m8b h VAL 41 Cb 1.69 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1m8b h VAL 41 CO 0.11 0.00 0.11 1.62 0.02 0.00 0.00 177.57 179.42 1m8b h VAL 42 N -1.16 0.66 -0.28 2.57 3.04 0.42 0.58 116.25 122.08 1m8b h VAL 42 Ca -0.07 0.00 -0.19 0.00 -1.01 0.00 0.00 66.70 65.43 1m8b h VAL 42 Cb 0.56 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 30.75 1m8b h VAL 42 CO 0.12 0.00 -0.56 -0.33 -1.01 0.00 0.00 177.57 175.80 1m8b h GLU 43 N 0.00 0.87 -1.91 4.17 4.39 -1.34 -3.16 114.58 117.61 1m8b h GLU 43 Ca 0.06 -0.56 -0.30 0.00 0.34 0.00 0.00 59.36 58.90 1m8b h GLU 43 Cb 0.28 0.07 -0.11 0.00 -0.10 0.00 0.00 28.75 28.88 1m8b h GLU 43 CO -0.00 1.19 0.10 0.45 -1.16 0.00 0.00 179.01 179.59 1m8b n SER 44 N -4.00 5.94 -1.44 1.42 2.88 -0.01 -4.67 113.62 113.74 1m8b n SER 44 Ca -0.04 -2.84 -0.14 0.00 -1.33 0.00 0.00 58.87 54.52 1m8b n SER 44 Cb 0.63 -1.24 -0.06 0.00 -0.75 0.00 0.00 64.21 62.79 1m8b n SER 44 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1m8b n ASN 45 N 1.36 -3.61 -1.83 -3.46 4.13 -1.19 0.70 115.26 111.36 1m8b n ASN 45 Ca 0.37 0.33 -0.16 0.00 1.68 0.00 0.00 54.58 56.80 1m8b n ASN 45 Cb 0.66 -3.35 -0.00 0.00 -1.54 0.00 0.00 39.78 35.55 1m8b n ASN 45 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1m8b n GLY 46 N -0.28 -0.27 0.09 7.41 0.00 0.18 -4.89 105.19 107.43 1m8b n GLY 46 Ca -0.14 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.58 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 -4.03 1.45 -1.76 2.61 -2.24 0.22 -4.93 114.28 105.61 1m8b n THR 47 Ca -0.18 -0.82 -0.41 0.00 -2.27 0.00 0.00 64.05 60.37 1m8b n THR 47 Cb 0.64 -0.72 -0.01 0.00 -2.10 0.00 0.00 70.33 68.13 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 -5.75 4.34 0.16 3.22 1.98 -1.25 -5.00 118.68 116.37 1m8b s LEU 48 Ca -0.07 2.99 0.11 0.00 -2.89 0.00 0.00 54.13 54.27 1m8b s LEU 48 Cb 0.07 -3.64 -0.04 0.00 0.66 0.00 0.00 46.19 43.24 1m8b s LEU 48 CO 0.83 -0.93 -0.26 0.42 -1.89 0.00 0.00 176.35 174.52 1m8b s THR 49 N -0.14 2.29 -0.07 3.68 -4.23 -1.26 -4.84 115.64 111.07 1m8b s THR 49 Ca 0.62 -1.87 -0.30 0.00 -1.18 0.00 0.00 61.69 58.96 1m8b s THR 49 Cb -0.48 -2.05 -0.04 0.00 1.34 0.00 0.00 72.50 71.27 1m8b s THR 49 CO 0.50 -0.00 1.30 -0.22 -0.54 0.00 0.00 174.62 175.66 1m8b s LEU 50 N -2.32 4.27 -0.11 4.79 1.98 -1.26 -0.40 118.68 125.62 1m8b s LEU 50 Ca 0.17 1.89 -0.26 0.00 -2.89 0.00 0.00 54.13 53.04 1m8b s LEU 50 Cb -0.09 -3.55 -0.28 0.00 0.66 0.00 0.00 46.19 42.93 1m8b s LEU 50 CO 0.08 -0.68 0.80 -1.28 -1.89 0.00 0.00 176.35 173.37 1m8b h SER 51 N 7.85 0.16 -5.84 3.68 0.87 -1.16 -3.45 113.55 115.67 1m8b h SER 51 Ca -0.34 -0.97 0.35 0.00 -1.23 0.00 0.00 61.79 59.60 1m8b h SER 51 Cb 1.15 -0.05 -0.09 0.00 -0.44 0.00 0.00 62.40 62.97 1m8b h SER 51 CO 0.91 1.15 0.90 -1.38 -0.53 0.00 0.00 176.83 177.88 1m8b s HIS 52 N -2.30 0.01 0.26 2.24 -3.43 -0.65 -4.99 115.29 106.43 1m8b s HIS 52 Ca -0.17 -0.10 0.04 0.00 -0.80 0.00 0.00 55.06 54.02 1m8b s HIS 52 Cb -0.01 0.55 -0.03 0.00 -1.43 0.00 0.00 32.58 31.65 1m8b s HIS 52 CO 0.74 -0.23 0.40 -0.06 -2.00 0.00 0.00 174.74 173.58 1m8b s PHE 53 N -2.12 3.46 0.00 0.38 0.08 -1.26 -0.27 117.98 118.25 1m8b s PHE 53 Ca 0.25 0.06 0.00 0.00 0.12 0.00 0.00 56.93 57.36 1m8b s PHE 53 Cb 0.02 -1.64 0.00 0.00 -0.57 0.00 0.00 43.02 40.82 1m8b s PHE 53 CO -0.02 0.37 0.00 0.41 -0.10 0.00 0.00 175.22 175.88 1m8b n GLY 54 N -1.47 -1.83 3.35 4.36 0.00 0.46 -4.74 105.19 105.33 1m8b n GLY 54 Ca -0.08 -1.40 -0.45 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.89 0.02 0.00 1.61 3.00 -0.83 -3.91 118.16 117.16 1m8b n LYS 55 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1m8b n LYS 55 Cb 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 35.03 34.01 1m8b n LYS 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40