#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 2.87 -0.08 1.96 0.00 -1.26 -5.01 120.51 118.99 1m8b n ALA 2 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.61 1m8b n ALA 2 Cb 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 0.44 0.00 -1.94 0.00 0.00 -1.26 -4.69 120.51 113.06 1m8b n ALA 3 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.28 1m8b n ALA 3 Cb 0.55 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.20 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 0.00 2.00 -0.27 0.00 0.11 -1.26 -5.11 120.40 115.88 1m8b s VAL 4 Ca 0.00 -0.04 -0.26 0.00 -2.93 0.00 0.00 61.98 58.76 1m8b s VAL 4 Cb 0.00 -2.96 0.12 0.00 -1.53 0.00 0.00 36.38 32.01 1m8b s VAL 4 CO 0.00 0.00 1.03 -0.44 -3.33 0.00 0.00 175.10 172.36 1m8b s SER 5 N -4.94 -0.44 0.19 3.54 0.01 -1.26 -4.82 113.70 105.98 1m8b s SER 5 Ca 0.76 0.81 0.04 0.00 1.31 0.00 0.00 55.95 58.87 1m8b s SER 5 Cb -0.03 0.81 -0.03 0.00 0.21 0.00 0.00 66.02 66.98 1m8b s SER 5 CO 0.53 -0.17 0.27 0.68 0.41 0.00 0.00 173.24 174.96 1m8b s VAL 6 N 0.07 5.04 0.02 3.43 -7.23 -1.26 -5.06 120.40 115.42 1m8b s VAL 6 Ca 0.03 -0.94 -0.30 0.00 -1.81 0.00 0.00 61.98 58.95 1m8b s VAL 6 Cb -0.04 -3.65 -0.06 0.00 0.56 0.00 0.00 36.38 33.18 1m8b s VAL 6 CO -0.05 -0.20 1.46 -0.62 -0.31 0.00 0.00 175.10 175.38 1m8b s ASP 7 N -3.51 6.79 0.00 4.85 2.15 -1.26 -4.82 116.67 120.87 1m8b s ASP 7 Ca 0.33 2.21 0.07 0.00 0.43 0.00 0.00 52.55 55.60 1m8b s ASP 7 Cb -0.10 -2.56 0.12 0.00 -0.30 0.00 0.00 42.92 40.08 1m8b s ASP 7 CO 0.27 -0.76 0.95 0.00 -0.17 0.00 0.00 175.17 175.46 1m8b n SER 9 N 0.14 7.67 -0.83 0.00 7.64 -1.26 -4.04 113.62 122.93 1m8b n SER 9 Ca -0.09 -3.80 -0.05 0.00 1.01 0.00 0.00 58.87 55.94 1m8b n SER 9 Cb 0.78 -1.00 -0.05 0.00 -1.01 0.00 0.00 64.21 62.94 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 -0.83 0.00 -4.00 1.43 -0.00 -1.26 -5.14 120.64 110.84 1m8b n GLU 10 Ca 0.61 -0.68 -0.22 0.00 -0.00 0.00 0.00 57.16 56.87 1m8b n GLU 10 Cb 0.56 0.36 -0.05 0.00 -0.00 0.00 0.00 31.44 32.31 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 2.83 0.45 -1.84 1.51 -1.26 -4.05 117.35 115.00 1m8b s TYR 11 Ca 0.00 -0.30 -0.22 0.00 -1.01 0.00 0.00 57.07 55.54 1m8b s TYR 11 Cb 0.00 -1.64 -0.09 0.00 -0.11 0.00 0.00 41.96 40.12 1m8b s TYR 11 CO 0.00 0.32 1.04 -1.25 -1.11 0.00 0.00 175.55 174.55 1m8b s PRO 12 N -3.89 3.95 0.09 -1.71 0.04 -1.26 -5.01 135.00 127.21 1m8b s PRO 12 Ca 0.38 1.42 0.09 0.00 0.04 0.00 0.00 61.00 62.93 1m8b s PRO 12 Cb -0.05 -2.27 -0.03 0.00 0.04 0.00 0.00 34.50 32.19 1m8b s PRO 12 CO 0.24 -0.31 -0.23 -1.59 0.04 0.00 0.00 177.00 175.15 1m8b s LYS 13 N -2.94 1.31 -0.09 4.56 -2.85 -1.26 -5.06 119.74 113.42 1m8b s LYS 13 Ca 0.63 -1.17 -0.09 0.00 -1.00 0.00 0.00 55.97 54.35 1m8b s LYS 13 Cb -0.19 -1.61 -0.07 0.00 -2.06 0.00 0.00 37.83 33.91 1m8b s LYS 13 CO 0.23 0.39 0.32 0.22 0.10 0.00 0.00 175.35 176.61 1m8b h ASP 14 N 4.24 -0.11 -3.19 0.03 3.58 -2.03 -3.46 116.42 115.49 1m8b h ASP 14 Ca -0.47 -0.17 -0.58 0.00 0.42 0.00 0.00 57.03 56.24 1m8b h ASP 14 Cb 1.17 0.03 0.17 0.00 1.72 0.00 0.00 39.33 42.42 1m8b h ASP 14 CO 0.41 0.45 -0.20 0.00 -2.88 0.00 0.00 179.24 177.01 1m8b n ALA 15 N -2.73 -0.65 -2.37 -0.78 0.00 -1.26 -5.01 120.51 107.71 1m8b n ALA 15 Ca -0.04 -0.01 -0.11 0.00 0.00 0.00 0.00 53.44 53.28 1m8b n ALA 15 Cb 0.13 -1.93 -0.09 0.00 0.00 0.00 0.00 19.45 17.56 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 -4.11 4.84 -0.12 0.00 -4.23 -1.26 -4.99 115.64 105.78 1m8b s THR 17 Ca 0.32 0.71 0.17 0.00 -1.18 0.00 0.00 61.69 61.71 1m8b s THR 17 Cb 0.06 -3.66 -0.17 0.00 1.34 0.00 0.00 72.50 70.06 1m8b s THR 17 CO 0.09 0.01 0.69 0.18 -0.54 0.00 0.00 174.62 175.05 1m8b n LEU 18 N 0.13 0.71 -4.71 4.79 4.77 -1.26 -4.93 117.00 116.50 1m8b n LEU 18 Ca -0.01 0.31 -0.30 0.00 -0.03 0.00 0.00 56.01 55.99 1m8b n LEU 18 Cb 0.52 0.13 0.14 0.00 -2.33 0.00 0.00 43.42 41.88 1m8b n LEU 18 CO 0.44 0.21 0.66 -1.61 -1.33 0.00 0.00 177.39 175.76 1m8b s GLU 19 N -2.87 1.24 -0.29 3.23 8.01 -1.26 -5.02 118.70 121.74 1m8b s GLU 19 Ca -0.04 0.90 -0.07 0.00 0.01 0.00 0.00 54.97 55.77 1m8b s GLU 19 Cb 0.09 -1.80 0.00 0.00 -4.31 0.00 0.00 34.13 28.11 1m8b s GLU 19 CO 0.82 -2.27 0.07 -0.47 0.01 0.00 0.00 175.26 173.42 1m8b s TYR 20 N -2.89 3.13 -0.31 1.61 6.14 -1.26 -4.85 117.35 118.92 1m8b s TYR 20 Ca 0.64 -0.92 -0.02 0.00 0.64 0.00 0.00 57.07 57.41 1m8b s TYR 20 Cb -0.18 -2.25 0.10 0.00 0.42 0.00 0.00 41.96 40.05 1m8b s TYR 20 CO 0.57 -0.55 0.11 1.03 0.64 0.00 0.00 175.55 177.35 1m8b s ARG 21 N 1.51 0.54 0.08 4.97 3.00 0.92 -5.02 118.95 124.96 1m8b s ARG 21 Ca 0.03 -0.92 -0.30 0.00 0.00 0.00 0.00 55.73 54.54 1m8b s ARG 21 Cb -0.17 -1.70 -0.06 0.00 0.00 0.00 0.00 34.95 33.02 1m8b s ARG 21 CO 0.02 -1.01 1.15 -1.25 0.00 0.00 0.00 175.30 174.22 1m8b s PRO 22 N 1.74 4.48 0.32 3.54 0.04 -1.10 -2.56 135.00 141.47 1m8b s PRO 22 Ca 0.10 1.73 0.08 0.00 0.04 0.00 0.00 61.00 62.94 1m8b s PRO 22 Cb -0.17 -3.34 -0.06 0.00 0.04 0.00 0.00 34.50 30.97 1m8b s PRO 22 CO -0.28 -0.16 -0.06 -0.51 0.04 0.00 0.00 177.00 176.03 1m8b s LEU 23 N 0.71 2.60 -0.10 -3.56 1.02 -0.55 0.13 118.68 118.93 1m8b s LEU 23 Ca 0.56 -1.22 -0.02 0.00 0.02 0.00 0.00 54.13 53.47 1m8b s LEU 23 Cb -0.29 -0.79 0.04 0.00 0.02 0.00 0.00 46.19 45.17 1m8b s LEU 23 CO 0.31 -0.31 0.02 0.00 0.02 0.00 0.00 176.35 176.38 1m8b s GLY 25 N 1.98 1.73 0.22 0.00 0.00 0.13 0.26 107.32 111.64 1m8b s GLY 25 Ca 0.04 -1.10 0.08 0.00 0.00 0.00 0.00 44.72 43.74 1m8b s GLY 25 CO -0.06 -0.33 1.50 0.23 0.00 0.00 0.00 173.10 174.44 1m8b h SER 26 N -1.77 0.06 -0.30 1.64 0.87 -1.08 -2.71 113.55 110.26 1m8b h SER 26 Ca -0.45 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 1m8b h SER 26 Cb 1.25 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1m8b h SER 26 CO 0.40 0.77 0.00 -0.90 -0.53 0.00 0.00 176.83 176.57 1m8b n ASP 27 N -3.69 2.96 -1.89 6.23 5.75 -1.26 -4.84 116.55 119.81 1m8b n ASP 27 Ca -0.01 -2.34 -0.11 0.00 -0.01 0.00 0.00 54.79 52.32 1m8b n ASP 27 Cb 0.71 -0.50 0.04 0.00 -1.03 0.00 0.00 41.12 40.34 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 0.37 -3.98 -4.42 -1.12 5.15 -1.02 -4.97 115.26 105.27 1m8b n ASN 28 Ca 0.13 -0.24 -0.44 0.00 -0.60 0.00 0.00 54.58 53.43 1m8b n ASN 28 Cb 0.61 -2.54 -0.05 0.00 -0.53 0.00 0.00 39.78 37.27 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 -5.59 3.10 -0.14 1.20 -0.14 -1.25 -4.78 119.74 112.13 1m8b s LYS 29 Ca 0.26 -1.04 -0.22 0.00 -1.36 0.00 0.00 55.97 53.62 1m8b s LYS 29 Cb -0.12 -4.18 -0.03 0.00 -1.68 0.00 0.00 37.83 31.83 1m8b s LYS 29 CO 0.33 -1.41 0.66 0.99 -0.76 0.00 0.00 175.35 175.16 1m8b s THR 30 N 2.81 5.04 0.31 2.17 2.01 -1.26 0.22 115.64 126.94 1m8b s THR 30 Ca 0.15 1.30 0.10 0.00 0.31 0.00 0.00 61.69 63.54 1m8b s THR 30 Cb -0.21 -3.98 -0.06 0.00 0.01 0.00 0.00 72.50 68.26 1m8b s THR 30 CO 0.10 0.18 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.78 1m8b s TYR 31 N 1.38 2.26 -0.12 4.92 2.02 -0.58 -4.95 117.35 122.27 1m8b s TYR 31 Ca 0.33 -0.49 -0.01 0.00 -0.37 0.00 0.00 57.07 56.52 1m8b s TYR 31 Cb -0.16 -1.20 -0.25 0.00 -0.40 0.00 0.00 41.96 39.95 1m8b s TYR 31 CO 0.13 0.56 0.36 0.41 -1.57 0.00 0.00 175.55 175.44 1m8b n GLY 32 N -0.69 -0.64 3.10 0.71 0.00 -1.26 -1.48 105.19 104.92 1m8b n GLY 32 Ca -0.05 -0.23 -0.07 0.00 0.00 0.00 0.00 46.02 45.67 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 -6.75 0.46 0.40 1.61 0.01 -1.06 -0.05 114.94 109.56 1m8b s ASN 33 Ca -0.19 -1.00 0.28 0.00 -0.71 0.00 0.00 52.86 51.23 1m8b s ASN 33 Cb 0.07 0.21 1.41 0.00 0.41 0.00 0.00 41.25 43.36 1m8b s ASN 33 CO 0.77 -0.61 1.84 0.50 -1.51 0.00 0.00 177.10 178.09 1m8b h LYS 34 N 3.11 0.00 0.05 -0.60 3.64 -1.94 -1.50 116.57 119.33 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 0.65 0.00 -0.03 0.00 -2.27 0.00 0.00 179.45 177.81 1m8b h ASN 36 N -0.58 0.91 -0.29 0.00 2.35 -1.71 0.41 115.58 116.68 1m8b h ASN 36 Ca -0.01 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.59 1m8b h ASN 36 Cb 0.51 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1m8b h ASN 36 CO 0.01 0.79 0.10 0.15 -1.65 0.00 0.00 177.43 176.83 1m8b h PHE 37 N 0.97 0.45 -0.08 1.19 3.04 -1.34 -0.23 116.94 120.93 1m8b h PHE 37 Ca 0.24 -0.04 0.01 0.00 3.98 0.00 0.00 57.97 62.16 1m8b h PHE 37 Cb 0.12 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.49 1m8b h PHE 37 CO 0.01 0.46 0.01 0.00 -2.02 0.00 0.00 178.31 176.77 1m8b h ASN 39 N 0.04 0.31 0.38 0.00 -0.73 -0.74 0.27 115.58 115.11 1m8b h ASN 39 Ca 0.04 0.01 -0.19 0.00 1.87 0.00 0.00 56.30 58.02 1m8b h ASN 39 Cb 0.04 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 38.56 1m8b h ASN 39 CO -0.06 0.19 -0.79 0.00 -0.37 0.00 0.00 177.43 176.41 1m8b h ALA 40 N 1.72 0.58 0.64 1.57 0.00 0.62 -1.07 119.26 123.32 1m8b h ALA 40 Ca 0.25 -0.65 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1m8b h ALA 40 Cb 0.52 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1m8b h ALA 40 CO -0.06 0.81 -0.31 0.28 0.00 0.00 0.00 179.25 179.97 1m8b h VAL 41 N 0.20 0.09 -0.97 0.00 2.07 0.30 -0.03 116.25 117.92 1m8b h VAL 41 Ca -0.04 -0.36 0.11 0.00 0.82 0.00 0.00 66.70 67.23 1m8b h VAL 41 Cb 1.37 0.13 -0.08 0.00 -1.52 0.00 0.00 31.29 31.20 1m8b h VAL 41 CO 0.13 0.01 0.62 -0.37 0.02 0.00 0.00 177.57 177.98 1m8b h VAL 42 N -1.18 0.95 0.00 2.57 -1.51 -0.85 0.76 116.25 116.99 1m8b h VAL 42 Ca -0.09 -0.34 -0.04 0.00 -1.23 0.00 0.00 66.70 65.01 1m8b h VAL 42 Cb 0.68 -0.11 -0.01 0.00 -2.13 0.00 0.00 31.29 29.72 1m8b h VAL 42 CO 0.14 0.18 -0.20 -0.33 -1.23 0.00 0.00 177.57 176.13 1m8b h GLU 43 N 0.98 0.00 -0.66 5.19 4.39 -1.10 -0.49 114.58 122.88 1m8b h GLU 43 Ca 0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.16 1m8b h GLU 43 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1m8b h GLU 43 CO -0.22 0.20 0.00 0.43 -1.16 0.00 0.00 179.01 178.25 1m8b n SER 44 N -4.03 3.23 0.00 1.42 7.64 0.12 -4.83 113.62 117.17 1m8b n SER 44 Ca -0.02 -2.36 0.00 0.00 1.01 0.00 0.00 58.87 57.50 1m8b n SER 44 Cb 0.28 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 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 0.47 -2.69 -0.02 6.43 2.85 -0.19 -2.16 115.26 119.95 1m8b n ASN 45 Ca 0.15 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.62 1m8b n ASN 45 Cb 0.65 -1.44 0.00 0.00 1.24 0.00 0.00 39.78 40.23 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 -1.62 0.92 0.08 8.20 0.00 0.22 -4.93 105.19 108.06 1m8b n GLY 46 Ca 0.00 -0.58 -0.05 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.90 1.07 -2.02 2.61 -2.24 -0.92 -4.93 114.28 104.96 1m8b n THR 47 Ca 0.00 -0.77 -0.42 0.00 -2.27 0.00 0.00 64.05 60.59 1m8b n THR 47 Cb 0.33 -0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 68.14 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 -5.31 4.37 0.18 3.22 1.98 -1.26 -5.01 118.68 116.86 1m8b s LEU 48 Ca -0.09 2.51 0.11 0.00 -2.89 0.00 0.00 54.13 53.78 1m8b s LEU 48 Cb 0.08 -3.59 -0.04 0.00 0.66 0.00 0.00 46.19 43.30 1m8b s LEU 48 CO 0.85 -0.77 -0.24 0.42 -1.89 0.00 0.00 176.35 174.72 1m8b s THR 49 N 1.14 2.32 -0.20 3.68 -4.23 -1.26 -4.82 115.64 112.26 1m8b s THR 49 Ca 0.68 -1.98 -0.25 0.00 -1.18 0.00 0.00 61.69 58.96 1m8b s THR 49 Cb -0.41 -2.09 -0.01 0.00 1.34 0.00 0.00 72.50 71.33 1m8b s THR 49 CO 0.31 -0.09 0.83 -0.22 -0.54 0.00 0.00 174.62 174.91 1m8b s LEU 50 N -2.56 4.13 -0.03 4.79 0.20 -1.26 -0.46 118.68 123.48 1m8b s LEU 50 Ca 0.19 1.11 -0.16 0.00 0.69 0.00 0.00 54.13 55.96 1m8b s LEU 50 Cb -0.08 -3.21 -0.32 0.00 -0.43 0.00 0.00 46.19 42.15 1m8b s LEU 50 CO 0.09 -0.45 0.81 0.28 -0.29 0.00 0.00 176.35 176.78 1m8b h SER 51 N 7.49 0.62 -2.32 3.68 0.02 -0.34 -3.45 113.55 119.24 1m8b h SER 51 Ca -0.26 -0.92 0.21 0.00 -0.84 0.00 0.00 61.79 59.97 1m8b h SER 51 Cb 1.11 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.41 1m8b h SER 51 CO 0.85 1.64 0.65 0.00 -1.14 0.00 0.00 176.83 178.84 1m8b n HIS 52 N -3.83 -1.03 -3.61 3.45 -0.00 -0.81 -4.84 115.22 104.56 1m8b n HIS 52 Ca -0.20 -1.05 -0.20 0.00 -0.00 0.00 0.00 57.72 56.28 1m8b n HIS 52 Cb 0.99 0.50 -0.02 0.00 -0.00 0.00 0.00 29.99 31.47 1m8b n HIS 52 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1m8b s PHE 53 N -2.23 3.08 0.12 -1.40 0.08 -1.26 -1.23 117.98 115.14 1m8b s PHE 53 Ca 0.24 -0.23 0.00 0.00 0.12 0.00 0.00 56.93 57.06 1m8b s PHE 53 Cb -0.02 -1.90 0.00 0.00 -0.57 0.00 0.00 43.02 40.53 1m8b s PHE 53 CO 0.03 0.09 0.00 0.41 -0.10 0.00 0.00 175.22 175.65 1m8b n GLY 54 N -1.54 -3.16 3.51 4.36 0.00 0.34 -4.75 105.19 103.96 1m8b n GLY 54 Ca -0.01 -1.16 -0.58 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.50 0.11 0.00 1.61 5.02 -1.26 -4.17 118.16 117.97 1m8b n LYS 55 Ca 0.00 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1m8b n LYS 55 Cb 0.07 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 1m8b n LYS 55 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88