#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m8c n ALA 2 N 0.00 -0.85 -3.26 1.96 0.00 -1.26 -4.45 120.51 112.65 1m8c n ALA 2 Ca 0.00 -0.25 -0.13 0.00 0.00 0.00 0.00 53.44 53.06 1m8c n ALA 2 Cb 0.00 -0.02 0.05 0.00 0.00 0.00 0.00 19.45 19.47 1m8c n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m8c n ALA 3 N -2.97 -2.51 -0.76 0.00 0.00 -1.26 -4.95 120.51 108.07 1m8c n ALA 3 Ca -0.03 0.04 -0.30 0.00 0.00 0.00 0.00 53.44 53.15 1m8c n ALA 3 Cb 0.10 -4.25 0.18 0.00 0.00 0.00 0.00 19.45 15.48 1m8c n ALA 3 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1m8c s VAL 4 N -3.28 2.23 -0.29 0.00 -7.23 -1.26 -5.05 120.40 105.52 1m8c s VAL 4 Ca 0.32 0.07 -0.17 0.00 -1.81 0.00 0.00 61.98 60.39 1m8c s VAL 4 Cb -0.05 -2.19 0.16 0.00 0.56 0.00 0.00 36.38 34.86 1m8c s VAL 4 CO 0.76 -0.10 1.09 -0.94 -0.31 0.00 0.00 175.10 175.61 1m8c s SER 5 N -2.77 -0.35 -0.34 4.85 1.04 -1.26 -4.75 113.70 110.12 1m8c s SER 5 Ca 0.66 0.57 -0.13 0.00 0.48 0.00 0.00 55.95 57.53 1m8c s SER 5 Cb -0.22 1.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.93 1m8c s SER 5 CO 0.59 -0.09 0.27 0.68 0.98 0.00 0.00 173.24 175.67 1m8c s VAL 6 N 1.07 5.26 -0.64 5.02 -7.23 -1.26 -5.02 120.40 117.59 1m8c s VAL 6 Ca -0.07 -0.13 -0.27 0.00 -1.81 0.00 0.00 61.98 59.70 1m8c s VAL 6 Cb -0.03 -3.73 0.02 0.00 0.56 0.00 0.00 36.38 33.19 1m8c s VAL 6 CO -0.13 -0.02 1.38 -0.62 -0.31 0.00 0.00 175.10 175.41 1m8c s ASP 7 N 1.73 6.09 -0.70 4.85 2.15 -1.26 -4.85 116.67 124.67 1m8c s ASP 7 Ca 0.08 -0.01 -0.01 0.00 0.43 0.00 0.00 52.55 53.03 1m8c s ASP 7 Cb -0.17 -2.55 0.42 0.00 -0.30 0.00 0.00 42.92 40.32 1m8c s ASP 7 CO 0.11 -1.80 1.97 0.00 -0.17 0.00 0.00 175.17 175.28 1m8c n SER 9 N -0.77 0.86 -2.78 0.00 7.64 -1.26 -4.45 113.62 112.85 1m8c n SER 9 Ca 0.59 0.41 -0.11 0.00 1.01 0.00 0.00 58.87 60.76 1m8c n SER 9 Cb 0.53 -0.03 0.02 0.00 -1.01 0.00 0.00 64.21 63.73 1m8c n SER 9 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1m8c n GLU 10 N -3.03 1.14 -2.92 1.43 0.28 -1.26 -4.96 120.64 111.32 1m8c n GLU 10 Ca -0.17 -3.31 -0.11 0.00 -0.16 0.00 0.00 57.16 53.42 1m8c n GLU 10 Cb 1.04 -1.37 -0.01 0.00 1.43 0.00 0.00 31.44 32.53 1m8c n GLU 10 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1m8c n TYR 11 N 0.01 -2.83 -2.37 -1.84 4.01 -1.26 -5.14 117.16 107.74 1m8c n TYR 11 Ca 0.13 -2.05 -0.33 0.00 -0.16 0.00 0.00 57.90 55.49 1m8c n TYR 11 Cb 0.78 1.09 -0.02 0.00 -0.31 0.00 0.00 39.34 40.88 1m8c n TYR 11 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1m8c s PRO 12 N 0.47 3.65 0.48 -0.72 0.04 -1.26 -4.74 135.00 132.92 1m8c s PRO 12 Ca 0.32 1.29 0.32 0.00 0.04 0.00 0.00 61.00 62.96 1m8c s PRO 12 Cb 0.08 -2.08 1.38 0.00 0.04 0.00 0.00 34.50 33.92 1m8c s PRO 12 CO -0.13 -0.55 1.94 1.57 0.04 0.00 0.00 177.00 179.87 1m8c h LYS 13 N 1.15 0.00 -0.35 4.56 2.10 -1.97 -0.28 116.57 121.78 1m8c h LYS 13 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1m8c h LYS 13 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1m8c h LYS 13 CO 0.59 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.64 1m8c n ASP 14 N -2.84 2.17 -3.00 7.07 5.68 -1.26 -4.11 116.55 120.26 1m8c n ASP 14 Ca 0.01 -1.91 -0.14 0.00 -0.50 0.00 0.00 54.79 52.24 1m8c n ASP 14 Cb 0.25 -0.23 0.01 0.00 -1.14 0.00 0.00 41.12 40.01 1m8c n ASP 14 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1m8c n ALA 15 N 0.67 1.54 -2.00 2.12 0.00 -0.12 -5.02 120.51 117.70 1m8c n ALA 15 Ca 0.15 -2.86 0.00 0.00 0.00 0.00 0.00 53.44 50.73 1m8c n ALA 15 Cb 0.37 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1m8c n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m8c n THR 17 N 0.00 0.00 0.00 0.00 -2.24 -1.26 -4.57 114.28 106.21 1m8c n THR 17 Ca 0.00 0.23 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 1m8c n THR 17 Cb 0.00 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 1m8c n THR 17 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1m8c n LEU 18 N -3.32 0.00 -4.75 3.22 7.94 -1.26 -4.84 117.00 114.00 1m8c n LEU 18 Ca -0.02 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.47 1m8c n LEU 18 Cb 0.62 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.54 1m8c n LEU 18 CO 0.02 0.00 1.08 -1.83 -1.11 0.00 0.00 177.39 175.54 1m8c s GLU 19 N 0.00 4.29 -0.17 1.96 -1.05 -1.26 -5.01 118.70 117.46 1m8c s GLU 19 Ca 0.00 2.27 0.01 0.00 -0.15 0.00 0.00 54.97 57.09 1m8c s GLU 19 Cb 0.00 -3.11 0.03 0.00 -0.44 0.00 0.00 34.13 30.60 1m8c s GLU 19 CO 0.00 -0.38 -0.16 -0.47 0.95 0.00 0.00 175.26 175.20 1m8c s TYR 20 N -0.13 2.49 -0.20 4.83 5.04 -1.26 -4.88 117.35 123.24 1m8c s TYR 20 Ca 0.58 -1.49 -0.04 0.00 -2.44 0.00 0.00 57.07 53.68 1m8c s TYR 20 Cb -0.41 -1.74 0.07 0.00 0.35 0.00 0.00 41.96 40.22 1m8c s TYR 20 CO 0.44 -0.74 0.08 1.03 -1.34 0.00 0.00 175.55 175.01 1m8c s ARG 21 N 1.38 0.29 0.42 4.97 1.81 0.14 -4.97 118.95 122.99 1m8c s ARG 21 Ca 0.04 -0.29 -0.23 0.00 -1.72 0.00 0.00 55.73 53.53 1m8c s ARG 21 Cb -0.14 -1.84 -0.09 0.00 -0.45 0.00 0.00 34.95 32.43 1m8c s ARG 21 CO -0.11 -0.72 1.05 -1.25 -0.68 0.00 0.00 175.30 173.59 1m8c s PRO 22 N 2.02 4.06 0.09 3.54 0.04 -1.25 -0.31 135.00 143.20 1m8c s PRO 22 Ca 0.02 1.48 -0.26 0.00 0.04 0.00 0.00 61.00 62.28 1m8c s PRO 22 Cb -0.16 -2.43 0.08 0.00 0.04 0.00 0.00 34.50 32.03 1m8c s PRO 22 CO -0.13 -0.22 0.89 -0.48 0.04 0.00 0.00 177.00 177.09 1m8c s LEU 23 N -2.86 -0.30 0.04 -3.56 2.34 -0.52 0.01 118.68 113.84 1m8c s LEU 23 Ca 0.60 -0.20 0.06 0.00 0.06 0.00 0.00 54.13 54.66 1m8c s LEU 23 Cb -0.21 2.16 -0.02 0.00 -0.56 0.00 0.00 46.19 47.56 1m8c s LEU 23 CO 0.26 -0.80 -0.18 0.00 -1.06 0.00 0.00 176.35 174.57 1m8c s GLY 25 N -1.08 1.73 0.57 0.00 0.00 -0.51 -0.41 107.32 107.61 1m8c s GLY 25 Ca 0.05 -1.57 0.27 0.00 0.00 0.00 0.00 44.72 43.47 1m8c s GLY 25 CO 0.01 -1.48 2.04 0.23 0.00 0.00 0.00 173.10 173.91 1m8c h SER 26 N 1.00 0.00 0.55 1.64 0.87 -1.40 1.30 113.55 117.51 1m8c h SER 26 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 1m8c h SER 26 Cb 1.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1m8c h SER 26 CO 0.54 0.00 0.00 -0.90 -0.53 0.00 0.00 176.83 175.94 1m8c n ASP 27 N -3.98 0.00 -0.10 6.23 5.75 -1.26 -4.85 116.55 118.35 1m8c n ASP 27 Ca 0.04 0.05 -0.01 0.00 -0.01 0.00 0.00 54.79 54.87 1m8c n ASP 27 Cb 0.43 -0.33 -0.00 0.00 -1.03 0.00 0.00 41.12 40.19 1m8c n ASP 27 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1m8c n ASN 28 N -1.33 -2.21 -4.79 -1.12 2.85 0.45 -5.02 115.26 104.08 1m8c n ASN 28 Ca 0.11 0.01 -0.39 0.00 -0.11 0.00 0.00 54.58 54.20 1m8c n ASN 28 Cb 0.22 -0.71 -0.06 0.00 1.24 0.00 0.00 39.78 40.46 1m8c n ASN 28 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1m8c s LYS 29 N -3.04 4.42 -0.25 1.20 2.20 -1.23 -4.80 119.74 118.24 1m8c s LYS 29 Ca 0.00 1.00 -0.14 0.00 -0.36 0.00 0.00 55.97 56.46 1m8c s LYS 29 Cb 0.00 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 33.09 1m8c s LYS 29 CO 0.00 0.56 0.34 0.99 -0.36 0.00 0.00 175.35 176.89 1m8c s THR 30 N -1.20 5.21 0.15 3.43 2.01 -1.26 -1.42 115.64 122.55 1m8c s THR 30 Ca 0.35 0.53 0.09 0.00 0.31 0.00 0.00 61.69 62.97 1m8c s THR 30 Cb -0.21 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 1m8c s THR 30 CO 0.23 0.21 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.91 1m8c s TYR 31 N 1.77 2.57 -2.08 4.92 2.02 0.48 -5.00 117.35 122.03 1m8c s TYR 31 Ca 0.14 -0.25 0.18 0.00 -0.37 0.00 0.00 57.07 56.78 1m8c s TYR 31 Cb -0.15 -1.31 0.09 0.00 -0.40 0.00 0.00 41.96 40.19 1m8c s TYR 31 CO 0.09 0.45 1.03 0.41 -1.57 0.00 0.00 175.55 175.95 1m8c n GLY 32 N 0.47 0.28 3.50 0.71 0.00 -1.26 -1.43 105.19 107.46 1m8c n GLY 32 Ca -0.13 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 1m8c n GLY 32 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1m8c s ASN 33 N -1.72 -0.40 0.37 1.61 0.01 0.57 0.25 114.94 115.64 1m8c s ASN 33 Ca 0.19 -0.03 0.17 0.00 -0.71 0.00 0.00 52.86 52.48 1m8c s ASN 33 Cb 0.15 0.44 0.68 0.00 0.41 0.00 0.00 41.25 42.93 1m8c s ASN 33 CO 0.30 -0.72 1.75 0.11 -1.51 0.00 0.00 177.10 177.04 1m8c h LYS 34 N 2.00 0.00 -0.49 -0.60 1.79 -1.94 -1.43 116.57 115.90 1m8c h LYS 34 Ca -0.25 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.13 1m8c h LYS 34 Cb 1.26 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.89 1m8c h LYS 34 CO 0.32 0.40 -0.06 0.00 -1.08 0.00 0.00 179.45 179.03 1m8c h ASN 36 N 0.75 0.72 0.13 0.00 2.35 -1.88 -0.45 115.58 117.20 1m8c h ASN 36 Ca 0.13 -0.32 -0.01 0.00 -0.55 0.00 0.00 56.30 55.55 1m8c h ASN 36 Cb 0.59 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1m8c h ASN 36 CO 0.04 1.03 -0.06 0.15 -1.65 0.00 0.00 177.43 176.93 1m8c h PHE 37 N 0.56 -0.17 -0.01 1.19 3.04 -0.95 -1.74 116.94 118.87 1m8c h PHE 37 Ca 0.05 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.96 1m8c h PHE 37 Cb 0.93 0.06 -0.00 0.00 2.56 0.00 0.00 35.95 39.49 1m8c h PHE 37 CO 0.04 0.09 -0.15 0.00 -2.02 0.00 0.00 178.31 176.28 1m8c h ASN 39 N 0.01 0.70 0.26 0.00 -1.24 -0.68 -0.37 115.58 114.25 1m8c h ASN 39 Ca 0.00 -0.09 -0.18 0.00 0.71 0.00 0.00 56.30 56.74 1m8c h ASN 39 Cb 0.26 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.13 1m8c h ASN 39 CO 0.02 0.59 -0.71 0.00 -1.29 0.00 0.00 177.43 176.04 1m8c h ALA 40 N 1.14 0.63 -0.61 1.57 0.00 -0.39 -3.08 119.26 118.51 1m8c h ALA 40 Ca 0.20 -0.60 0.05 0.00 0.00 0.00 0.00 54.91 54.56 1m8c h ALA 40 Cb 0.04 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1m8c h ALA 40 CO -0.03 0.76 0.34 0.28 0.00 0.00 0.00 179.25 180.59 1m8c h VAL 41 N 0.27 0.99 -0.30 0.00 2.07 -0.29 0.10 116.25 119.08 1m8c h VAL 41 Ca -0.03 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.29 1m8c h VAL 41 Cb 1.28 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1m8c h VAL 41 CO 0.12 0.12 0.20 0.58 0.02 0.00 0.00 177.57 178.61 1m8c h VAL 42 N 0.64 1.04 0.00 2.57 2.07 -1.01 0.63 116.25 122.20 1m8c h VAL 42 Ca 0.26 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1m8c h VAL 42 Cb 0.13 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1m8c h VAL 42 CO -0.16 0.07 0.00 -0.08 0.02 0.00 0.00 177.57 177.42 1m8c h GLU 43 N 0.36 0.00 -0.87 1.57 4.22 -0.79 -2.92 114.58 116.15 1m8c h GLU 43 Ca 0.12 0.00 -0.42 0.00 0.08 0.00 0.00 59.36 59.14 1m8c h GLU 43 Cb 0.04 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.04 1m8c h GLU 43 CO -0.03 0.00 0.50 0.43 -2.18 0.00 0.00 179.01 177.73 1m8c n SER 44 N -2.60 3.85 -0.58 1.04 7.64 0.96 -4.85 113.62 119.07 1m8c n SER 44 Ca 0.04 -3.54 -0.08 0.00 1.01 0.00 0.00 58.87 56.30 1m8c n SER 44 Cb 0.39 -0.80 -0.03 0.00 -1.01 0.00 0.00 64.21 62.76 1m8c n SER 44 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1m8c n ASN 45 N -0.93 -5.55 -0.12 6.43 3.02 -1.10 -0.29 115.26 116.72 1m8c n ASN 45 Ca 0.53 0.19 -0.02 0.00 -0.03 0.00 0.00 54.58 55.25 1m8c n ASN 45 Cb 1.55 -3.72 -0.01 0.00 -0.61 0.00 0.00 39.78 36.99 1m8c n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1m8c n GLY 46 N 0.12 0.52 0.08 7.41 0.00 0.18 -4.92 105.19 108.59 1m8c n GLY 46 Ca -0.08 -0.42 -0.16 0.00 0.00 0.00 0.00 46.02 45.36 1m8c n GLY 46 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1m8c h THR 47 N 0.00 1.49 -1.74 2.61 1.35 -0.79 -3.47 112.91 112.36 1m8c h THR 47 Ca -0.03 -2.28 -0.63 0.00 -0.55 0.00 0.00 66.41 62.92 1m8c h THR 47 Cb 0.19 2.98 0.15 0.00 -1.73 0.00 0.00 68.15 69.74 1m8c h THR 47 CO 0.05 0.51 -0.74 -0.11 -0.25 0.00 0.00 175.52 174.97 1m8c n LEU 48 N -4.55 -1.88 0.00 3.87 7.94 -1.25 -4.98 117.00 116.15 1m8c n LEU 48 Ca -0.17 0.89 0.00 0.00 -1.11 0.00 0.00 56.01 55.62 1m8c n LEU 48 Cb 0.54 -0.95 0.00 0.00 0.53 0.00 0.00 43.42 43.54 1m8c n LEU 48 CO 0.29 -3.66 0.00 0.35 -1.11 0.00 0.00 177.39 173.25 1m8c n THR 49 N -0.81 0.00 -3.68 1.96 -2.24 -1.26 -4.91 114.28 103.35 1m8c n THR 49 Ca 0.12 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.52 1m8c n THR 49 Cb 0.37 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.49 1m8c n THR 49 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1m8c s LEU 50 N 0.00 4.22 0.11 3.22 2.96 -1.26 -1.12 118.68 126.80 1m8c s LEU 50 Ca 0.00 -0.76 -0.15 0.00 -0.22 0.00 0.00 54.13 53.00 1m8c s LEU 50 Cb 0.00 -1.96 -0.06 0.00 0.50 0.00 0.00 46.19 44.67 1m8c s LEU 50 CO 0.00 -0.26 1.48 -1.28 -1.32 0.00 0.00 176.35 174.98 1m8c h SER 51 N 8.33 0.70 -5.81 3.68 0.87 -0.88 -3.44 113.55 116.99 1m8c h SER 51 Ca -0.29 -0.40 0.34 0.00 -1.23 0.00 0.00 61.79 60.20 1m8c h SER 51 Cb 1.12 -0.19 -0.09 0.00 -0.44 0.00 0.00 62.40 62.80 1m8c h SER 51 CO 0.62 0.94 0.87 -1.38 -0.53 0.00 0.00 176.83 177.36 1m8c s HIS 52 N -4.64 0.00 0.78 2.24 0.00 -0.95 -4.95 115.29 107.77 1m8c s HIS 52 Ca -0.13 -0.12 -0.06 0.00 -3.00 0.00 0.00 55.06 51.76 1m8c s HIS 52 Cb 0.09 0.56 0.13 0.00 -4.00 0.00 0.00 32.58 29.36 1m8c s HIS 52 CO 0.81 -0.28 1.08 -0.06 -1.00 0.00 0.00 174.74 175.29 1m8c s PHE 53 N -2.16 1.86 0.29 0.38 0.40 -1.26 -0.40 117.98 117.08 1m8c s PHE 53 Ca 0.23 0.01 0.00 0.00 -0.60 0.00 0.00 56.93 56.58 1m8c s PHE 53 Cb 0.02 -3.33 0.00 0.00 0.51 0.00 0.00 43.02 40.22 1m8c s PHE 53 CO -0.02 -1.89 0.00 0.41 0.70 0.00 0.00 175.22 174.42 1m8c n GLY 54 N -3.09 -1.74 3.61 4.36 0.00 0.10 -4.43 105.19 104.01 1m8c n GLY 54 Ca 0.14 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.68 1m8c n GLY 54 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1m8c n LYS 55 N -3.92 0.71 0.00 1.61 -0.00 -1.26 -1.62 118.16 113.67 1m8c n LYS 55 Ca 0.01 0.29 0.09 0.00 -0.00 0.00 0.00 58.31 58.70 1m8c n LYS 55 Cb 0.57 -2.20 0.54 0.00 -0.00 0.00 0.00 35.03 33.94 1m8c n LYS 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40