#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 0.57 -2.84 1.96 0.00 -1.26 -4.96 120.51 113.98 1m8b n ALA 2 Ca 0.00 -2.11 -0.11 0.00 0.00 0.00 0.00 53.44 51.22 1m8b n ALA 2 Cb 0.00 -1.06 0.05 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 0.18 1.36 -1.99 0.00 0.00 -1.26 -4.98 120.51 113.83 1m8b n ALA 3 Ca 0.10 -2.34 -0.24 0.00 0.00 0.00 0.00 53.44 50.96 1m8b n ALA 3 Cb 0.72 -1.01 0.12 0.00 0.00 0.00 0.00 19.45 19.27 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 -1.25 2.11 -0.28 0.00 0.11 -1.26 -5.12 120.40 114.70 1m8b s VAL 4 Ca 0.28 -0.54 -0.24 0.00 -2.93 0.00 0.00 61.98 58.55 1m8b s VAL 4 Cb 0.37 -2.57 0.10 0.00 -1.53 0.00 0.00 36.38 32.74 1m8b s VAL 4 CO -0.05 0.00 0.86 -0.94 -3.33 0.00 0.00 175.10 171.64 1m8b s SER 5 N -4.76 -0.62 0.15 3.54 1.04 -1.26 -4.80 113.70 106.99 1m8b s SER 5 Ca 0.67 1.18 0.04 0.00 0.48 0.00 0.00 55.95 58.32 1m8b s SER 5 Cb -0.05 1.20 -0.04 0.00 0.10 0.00 0.00 66.02 67.24 1m8b s SER 5 CO 0.45 -0.20 0.20 0.68 0.98 0.00 0.00 173.24 175.35 1m8b s VAL 6 N 0.39 4.89 -0.42 5.02 -7.23 -1.26 -5.05 120.40 116.74 1m8b s VAL 6 Ca 0.01 -0.87 -0.29 0.00 -1.81 0.00 0.00 61.98 59.02 1m8b s VAL 6 Cb -0.05 -3.50 0.02 0.00 0.56 0.00 0.00 36.38 33.41 1m8b s VAL 6 CO -0.03 -0.09 1.21 -0.62 -0.31 0.00 0.00 175.10 175.26 1m8b s ASP 7 N -3.13 6.61 -0.00 4.85 2.15 -1.26 -4.76 116.67 121.14 1m8b s ASP 7 Ca 0.33 0.71 0.00 0.00 0.43 0.00 0.00 52.55 54.02 1m8b s ASP 7 Cb -0.11 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 1m8b s ASP 7 CO 0.26 -1.22 0.69 0.00 -0.17 0.00 0.00 175.17 174.72 1m8b n SER 9 N -0.19 5.26 0.00 0.00 7.64 -1.26 -3.78 113.62 121.29 1m8b n SER 9 Ca 0.00 -3.04 0.00 0.00 1.01 0.00 0.00 58.87 56.84 1m8b n SER 9 Cb 0.42 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.11 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 4.70 0.00 -0.89 1.43 0.00 -1.26 -5.15 120.64 119.46 1m8b n GLU 10 Ca 0.36 0.00 -0.37 0.00 0.00 0.00 0.00 57.16 57.16 1m8b n GLU 10 Cb 0.40 0.00 0.08 0.00 0.00 0.00 0.00 31.44 31.92 1m8b n GLU 10 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1m8b n TYR 11 N -0.44 -1.51 -2.52 -1.84 4.02 -1.25 -4.70 117.16 108.93 1m8b n TYR 11 Ca 0.00 0.47 -0.39 0.00 -0.01 0.00 0.00 57.90 57.97 1m8b n TYR 11 Cb 0.00 -1.45 -0.04 0.00 -0.02 0.00 0.00 39.34 37.83 1m8b n TYR 11 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1m8b s PRO 12 N -2.48 4.47 0.05 -0.72 0.04 -1.26 -4.96 135.00 130.14 1m8b s PRO 12 Ca 0.43 1.67 0.01 0.00 0.04 0.00 0.00 61.00 63.15 1m8b s PRO 12 Cb 0.02 -2.95 -0.04 0.00 0.04 0.00 0.00 34.50 31.57 1m8b s PRO 12 CO 0.67 0.10 0.14 0.15 0.04 0.00 0.00 177.00 178.10 1m8b s LYS 13 N -1.82 3.20 -1.25 4.56 1.02 -1.26 -5.02 119.74 119.16 1m8b s LYS 13 Ca 0.49 -0.52 -0.08 0.00 0.02 0.00 0.00 55.97 55.89 1m8b s LYS 13 Cb -0.28 -2.92 0.19 0.00 -0.52 0.00 0.00 37.83 34.30 1m8b s LYS 13 CO 0.35 0.61 1.88 -0.25 -0.92 0.00 0.00 175.35 177.02 1m8b n ASP 14 N 0.56 5.75 0.00 2.83 9.92 -1.26 -4.86 116.55 129.49 1m8b n ASP 14 Ca -0.08 -3.18 0.00 0.00 -0.53 0.00 0.00 54.79 51.00 1m8b n ASP 14 Cb 0.52 -1.42 0.00 0.00 -0.64 0.00 0.00 41.12 39.58 1m8b n ASP 14 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1m8b n ALA 15 N 3.05 0.00 -3.52 2.24 0.00 -1.26 -5.19 120.51 115.83 1m8b n ALA 15 Ca 0.40 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.75 1m8b n ALA 15 Cb 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.78 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 -3.02 4.27 -0.03 0.00 -4.23 -1.26 -5.01 115.64 106.37 1m8b s THR 17 Ca 0.19 -0.61 0.12 0.00 -1.18 0.00 0.00 61.69 60.21 1m8b s THR 17 Cb -0.04 -2.93 -0.14 0.00 1.34 0.00 0.00 72.50 70.74 1m8b s THR 17 CO 0.12 0.34 1.09 -0.07 -0.54 0.00 0.00 174.62 175.56 1m8b h LEU 18 N 4.17 0.00-10.16 4.79 4.07 -2.03 -3.46 115.31 112.68 1m8b h LEU 18 Ca -0.49 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 56.95 1m8b h LEU 18 Cb 1.18 0.00 0.12 0.00 1.08 0.00 0.00 40.66 43.04 1m8b h LEU 18 CO 0.59 0.80 0.40 -1.61 -1.08 0.00 0.00 178.44 177.55 1m8b s GLU 19 N -2.78 2.62 -0.24 1.13 8.01 -1.26 -5.01 118.70 121.17 1m8b s GLU 19 Ca -0.00 1.63 -0.08 0.00 0.01 0.00 0.00 54.97 56.53 1m8b s GLU 19 Cb 0.09 -1.91 -0.04 0.00 -4.31 0.00 0.00 34.13 27.96 1m8b s GLU 19 CO 0.80 -1.44 0.10 -0.47 0.01 0.00 0.00 175.26 174.26 1m8b s TYR 20 N -2.02 3.18 -0.32 1.61 6.14 -1.26 -4.88 117.35 119.80 1m8b s TYR 20 Ca 0.72 -0.11 -0.01 0.00 0.64 0.00 0.00 57.07 58.31 1m8b s TYR 20 Cb -0.26 -2.23 0.13 0.00 0.42 0.00 0.00 41.96 40.02 1m8b s TYR 20 CO 0.40 -0.14 0.22 1.03 0.64 0.00 0.00 175.55 177.70 1m8b s ARG 21 N 1.26 0.37 0.10 4.97 3.00 0.30 -5.04 118.95 123.91 1m8b s ARG 21 Ca 0.06 -0.72 -0.30 0.00 0.00 0.00 0.00 55.73 54.76 1m8b s ARG 21 Cb -0.14 -1.04 -0.06 0.00 0.00 0.00 0.00 34.95 33.70 1m8b s ARG 21 CO 0.05 -1.10 1.15 -1.25 0.00 0.00 0.00 175.30 174.14 1m8b s PRO 22 N 1.78 4.50 0.19 3.54 0.04 -1.07 -3.13 135.00 140.84 1m8b s PRO 22 Ca 0.13 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1m8b s PRO 22 Cb -0.17 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 30.99 1m8b s PRO 22 CO -0.21 -0.12 0.06 -0.48 0.04 0.00 0.00 177.00 176.29 1m8b s LEU 23 N 0.52 1.72 -0.09 -3.56 2.34 -0.56 0.18 118.68 119.24 1m8b s LEU 23 Ca 0.55 -1.28 0.02 0.00 0.06 0.00 0.00 54.13 53.48 1m8b s LEU 23 Cb -0.29 0.14 0.01 0.00 -0.56 0.00 0.00 46.19 45.50 1m8b s LEU 23 CO 0.31 -0.70 -0.13 0.00 -1.06 0.00 0.00 176.35 174.76 1m8b s GLY 25 N 0.84 1.75 0.26 0.00 0.00 -0.71 -1.16 107.32 108.30 1m8b s GLY 25 Ca -0.11 -1.34 0.24 0.00 0.00 0.00 0.00 44.72 43.51 1m8b s GLY 25 CO 0.01 -0.75 1.72 -1.26 0.00 0.00 0.00 173.10 172.82 1m8b n SER 26 N -3.18 0.68 -0.47 1.64 2.88 0.13 -1.29 113.62 114.00 1m8b n SER 26 Ca 0.13 0.66 0.14 0.00 -1.33 0.00 0.00 58.87 58.47 1m8b n SER 26 Cb 0.60 -0.81 0.51 0.00 -0.75 0.00 0.00 64.21 63.76 1m8b n SER 26 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1m8b n ASP 27 N -2.24 1.50 -0.01 -3.46 5.68 -1.26 -4.88 116.55 111.88 1m8b n ASP 27 Ca 0.02 -1.47 -0.00 0.00 -0.50 0.00 0.00 54.79 52.84 1m8b n ASP 27 Cb 0.25 0.01 -0.00 0.00 -1.14 0.00 0.00 41.12 40.23 1m8b n ASP 27 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1m8b n ASN 28 N 0.15 -3.21 -4.57 -1.12 6.94 -0.41 -4.98 115.26 108.06 1m8b n ASN 28 Ca 0.18 0.00 -0.43 0.00 -0.02 0.00 0.00 54.58 54.32 1m8b n ASN 28 Cb 0.36 -0.72 -0.04 0.00 -2.36 0.00 0.00 39.78 37.02 1m8b n ASN 28 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1m8b s LYS 29 N -0.24 3.57 -0.04 -3.83 -0.14 -1.26 -4.78 119.74 113.01 1m8b s LYS 29 Ca 0.00 0.16 -0.26 0.00 -1.36 0.00 0.00 55.97 54.51 1m8b s LYS 29 Cb 0.00 -3.90 -0.03 0.00 -1.68 0.00 0.00 37.83 32.22 1m8b s LYS 29 CO 0.00 -1.11 0.80 0.99 -0.76 0.00 0.00 175.35 175.27 1m8b s THR 30 N 3.51 4.98 0.35 2.17 2.01 -1.26 -1.73 115.64 125.67 1m8b s THR 30 Ca 0.35 1.67 0.08 0.00 0.31 0.00 0.00 61.69 64.10 1m8b s THR 30 Cb -0.11 -4.14 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 1m8b s THR 30 CO 0.23 0.21 0.10 -0.31 -0.69 0.00 0.00 174.62 174.16 1m8b s TYR 31 N 0.90 2.63 -0.10 4.92 2.02 0.47 -4.95 117.35 123.24 1m8b s TYR 31 Ca 0.43 -0.43 -0.01 0.00 -0.37 0.00 0.00 57.07 56.69 1m8b s TYR 31 Cb -0.19 -1.62 -0.25 0.00 -0.40 0.00 0.00 41.96 39.50 1m8b s TYR 31 CO 0.22 0.37 0.43 0.41 -1.57 0.00 0.00 175.55 175.41 1m8b n GLY 32 N -1.09 -0.67 3.12 0.71 0.00 -1.26 -1.50 105.19 104.50 1m8b n GLY 32 Ca -0.03 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 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 -6.76 0.39 0.27 1.61 0.01 -1.18 -0.54 114.94 108.73 1m8b s ASN 33 Ca -0.18 -0.92 0.21 0.00 -0.71 0.00 0.00 52.86 51.26 1m8b s ASN 33 Cb 0.07 0.24 1.02 0.00 0.41 0.00 0.00 41.25 42.99 1m8b s ASN 33 CO 0.78 -0.64 1.65 1.17 -1.51 0.00 0.00 177.10 178.55 1m8b n LYS 34 N 0.06 0.15 -0.00 -0.60 4.81 -1.26 -1.88 118.16 119.44 1m8b n LYS 34 Ca -0.14 0.52 -0.13 0.00 -0.87 0.00 0.00 58.31 57.70 1m8b n LYS 34 Cb 0.61 -1.89 -0.10 0.00 0.02 0.00 0.00 35.03 33.68 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 -0.59 0.84 -0.44 0.00 2.35 -1.79 -1.54 115.58 114.42 1m8b h ASN 36 Ca -0.01 -0.24 -0.04 0.00 -0.55 0.00 0.00 56.30 55.47 1m8b h ASN 36 Cb 0.53 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 1m8b h ASN 36 CO 0.01 0.86 0.13 0.15 -1.65 0.00 0.00 177.43 176.93 1m8b h PHE 37 N 0.78 0.71 -0.27 1.19 3.04 -1.38 -1.32 116.94 119.69 1m8b h PHE 37 Ca 0.17 -0.07 0.04 0.00 3.98 0.00 0.00 57.97 62.09 1m8b h PHE 37 Cb 0.35 -0.20 -0.04 0.00 2.56 0.00 0.00 35.95 38.62 1m8b h PHE 37 CO 0.02 0.64 0.04 0.00 -2.02 0.00 0.00 178.31 177.00 1m8b h ASN 39 N 0.14 0.24 0.32 0.00 -0.26 -1.04 0.16 115.58 115.13 1m8b h ASN 39 Ca 0.13 -0.00 -0.18 0.00 -0.56 0.00 0.00 56.30 55.69 1m8b h ASN 39 Cb 0.14 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.34 1m8b h ASN 39 CO -0.18 0.16 -0.72 0.00 -1.06 0.00 0.00 177.43 175.63 1m8b h ALA 40 N 1.82 0.64 0.49 -0.83 0.00 0.39 -0.62 119.26 121.14 1m8b h ALA 40 Ca 0.14 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1m8b h ALA 40 Cb 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1m8b h ALA 40 CO -0.03 0.77 -0.24 0.28 0.00 0.00 0.00 179.25 180.04 1m8b h VAL 41 N 0.24 0.26 -0.90 0.00 2.07 0.23 -1.84 116.25 116.31 1m8b h VAL 41 Ca -0.03 -0.50 0.09 0.00 0.82 0.00 0.00 66.70 67.08 1m8b h VAL 41 Cb 1.29 0.39 -0.07 0.00 -1.52 0.00 0.00 31.29 31.37 1m8b h VAL 41 CO 0.12 0.05 0.55 -0.37 0.02 0.00 0.00 177.57 177.94 1m8b h VAL 42 N -1.06 0.95 -1.00 2.57 -1.51 -0.88 1.59 116.25 116.91 1m8b h VAL 42 Ca -0.07 -0.32 0.09 0.00 -1.23 0.00 0.00 66.70 65.18 1m8b h VAL 42 Cb 0.59 -0.05 -0.07 0.00 -2.13 0.00 0.00 31.29 29.62 1m8b h VAL 42 CO 0.11 0.17 0.64 -0.33 -1.23 0.00 0.00 177.57 176.93 1m8b h GLU 43 N 0.92 1.06 -1.65 5.19 5.08 -1.07 -0.93 114.58 123.18 1m8b h GLU 43 Ca 0.43 -0.06 -0.45 0.00 -1.00 0.00 0.00 59.36 58.28 1m8b h GLU 43 Cb 0.35 -0.24 -0.17 0.00 0.50 0.00 0.00 28.75 29.18 1m8b h GLU 43 CO -0.23 0.70 0.49 0.45 -1.00 0.00 0.00 179.01 179.41 1m8b n SER 44 N -4.55 6.66 -1.70 1.42 2.88 0.05 -4.74 113.62 113.64 1m8b n SER 44 Ca 0.17 -3.23 -0.11 0.00 -1.33 0.00 0.00 58.87 54.37 1m8b n SER 44 Cb 0.26 -1.11 -0.03 0.00 -0.75 0.00 0.00 64.21 62.58 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 0.36 -3.05 -1.68 -3.46 5.15 -0.36 0.14 115.26 112.36 1m8b n ASN 45 Ca 0.42 0.25 -0.14 0.00 -0.60 0.00 0.00 54.58 54.51 1m8b n ASN 45 Cb 0.56 -2.82 -0.00 0.00 -0.53 0.00 0.00 39.78 36.99 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 -0.39 -0.21 0.10 8.20 0.00 0.52 -4.89 105.19 108.52 1m8b n GLY 46 Ca -0.11 -0.27 0.01 0.00 0.00 0.00 0.00 46.02 45.65 1m8b n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m8b h THR 47 N -0.10 0.45 -3.28 2.61 1.03 0.12 -3.46 112.91 110.27 1m8b h THR 47 Ca -0.34 -1.88 -0.53 0.00 -0.01 0.00 0.00 66.41 63.66 1m8b h THR 47 Cb 1.25 1.98 0.02 0.00 -1.07 0.00 0.00 68.15 70.34 1m8b h THR 47 CO 0.40 0.26 0.64 -0.22 -0.01 0.00 0.00 175.52 176.58 1m8b s LEU 48 N -5.76 4.40 0.16 0.00 2.96 -1.26 -5.02 118.68 114.16 1m8b s LEU 48 Ca -0.02 2.29 0.11 0.00 -0.22 0.00 0.00 54.13 56.28 1m8b s LEU 48 Cb 0.09 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.14 1m8b s LEU 48 CO 0.81 -0.52 -0.23 0.42 -1.32 0.00 0.00 176.35 175.51 1m8b s THR 49 N 0.46 2.49 -0.12 3.68 -4.23 -1.26 -4.79 115.64 111.86 1m8b s THR 49 Ca 0.58 -1.83 -0.29 0.00 -1.18 0.00 0.00 61.69 58.97 1m8b s THR 49 Cb -0.35 -2.16 -0.02 0.00 1.34 0.00 0.00 72.50 71.31 1m8b s THR 49 CO 0.35 -0.02 1.26 -0.22 -0.54 0.00 0.00 174.62 175.45 1m8b s LEU 50 N -2.41 4.22 -0.13 4.79 2.96 -1.26 0.17 118.68 127.02 1m8b s LEU 50 Ca 0.19 1.77 -0.16 0.00 -0.22 0.00 0.00 54.13 55.70 1m8b s LEU 50 Cb -0.09 -3.54 -0.14 0.00 0.50 0.00 0.00 46.19 42.91 1m8b s LEU 50 CO 0.09 -0.71 0.40 -1.28 -1.32 0.00 0.00 176.35 173.53 1m8b h SER 51 N 8.00 0.00 -5.31 3.68 0.87 -1.33 -3.45 113.55 116.01 1m8b h SER 51 Ca -0.30 -0.53 0.12 0.00 -1.23 0.00 0.00 61.79 59.85 1m8b h SER 51 Cb 1.13 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.06 1m8b h SER 51 CO 0.94 0.81 0.51 -1.38 -0.53 0.00 0.00 176.83 177.18 1m8b s HIS 52 N -1.95 0.07 0.26 2.24 -3.43 -0.72 -4.71 115.29 107.04 1m8b s HIS 52 Ca -0.12 -0.53 0.05 0.00 -0.80 0.00 0.00 55.06 53.66 1m8b s HIS 52 Cb -0.01 0.73 -0.03 0.00 -1.43 0.00 0.00 32.58 31.84 1m8b s HIS 52 CO 0.39 -1.07 0.39 -0.06 -2.00 0.00 0.00 174.74 172.39 1m8b s PHE 53 N -2.26 3.40 0.15 0.38 0.08 -1.26 -1.18 117.98 117.28 1m8b s PHE 53 Ca 0.20 -0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.23 1m8b s PHE 53 Cb -0.03 -1.66 0.00 0.00 -0.57 0.00 0.00 43.02 40.76 1m8b s PHE 53 CO 0.07 0.35 0.00 0.41 -0.10 0.00 0.00 175.22 175.94 1m8b n GLY 54 N -1.47 -3.04 3.43 4.36 0.00 0.49 -4.73 105.19 104.22 1m8b n GLY 54 Ca -0.07 -1.23 -0.51 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.97 0.04 0.00 1.61 4.76 -1.25 -3.91 118.16 117.43 1m8b n LYS 55 Ca -0.01 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1m8b n LYS 55 Cb 0.13 -1.14 0.00 0.00 -1.84 0.00 0.00 35.03 32.18 1m8b n LYS 55 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03