#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 0.00 -2.30 1.47 0.00 -1.26 -4.95 120.51 113.47 1m8c n ALA 2 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1m8c n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.91 -3.09 -1.29 0.00 0.00 -1.26 -4.86 120.51 110.92 1m8c n ALA 3 Ca 0.00 0.61 0.15 0.00 0.00 0.00 0.00 53.44 54.19 1m8c n ALA 3 Cb 0.00 -1.84 -0.07 0.00 0.00 0.00 0.00 19.45 17.53 1m8c n ALA 3 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1m8c n VAL 4 N -0.16 -0.53 -3.35 0.00 0.24 -1.26 -5.03 118.33 108.25 1m8c n VAL 4 Ca 0.05 0.66 0.03 0.00 -2.04 0.00 0.00 64.34 63.05 1m8c n VAL 4 Cb 0.20 -1.06 -0.05 0.00 -1.47 0.00 0.00 33.84 31.46 1m8c n VAL 4 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1m8c s SER 5 N -6.74 -0.02 -0.09 -1.34 1.04 -1.26 -4.98 113.70 100.32 1m8c s SER 5 Ca 0.00 0.02 0.02 0.00 0.48 0.00 0.00 55.95 56.48 1m8c s SER 5 Cb 0.00 1.01 0.01 0.00 0.10 0.00 0.00 66.02 67.15 1m8c s SER 5 CO 0.00 -0.00 -0.15 -0.69 0.98 0.00 0.00 173.24 173.37 1m8c s VAL 6 N 1.62 1.43 -0.22 5.02 1.01 -1.26 -5.11 120.40 122.90 1m8c s VAL 6 Ca -0.03 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 1m8c s VAL 6 Cb -0.01 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 1m8c s VAL 6 CO -0.13 0.42 0.21 -0.62 0.00 0.00 0.00 175.10 174.98 1m8c s ASP 7 N 0.73 6.22 -0.00 3.32 2.15 -1.26 -4.90 116.67 122.93 1m8c s ASP 7 Ca -0.12 0.24 0.01 0.00 0.43 0.00 0.00 52.55 53.10 1m8c s ASP 7 Cb -0.16 -2.13 0.01 0.00 -0.30 0.00 0.00 42.92 40.34 1m8c s ASP 7 CO 0.03 0.06 0.71 0.00 -0.17 0.00 0.00 175.17 175.81 1m8c h SER 9 N 0.00 0.00 -1.82 0.00 4.64 -2.01 -3.38 113.55 110.99 1m8c h SER 9 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 1m8c h SER 9 Cb 0.85 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 62.52 1m8c h SER 9 CO 0.00 0.89 -0.79 -0.62 -0.87 0.00 0.00 176.83 175.44 1m8c n GLU 10 N -3.09 2.88 -2.67 4.77 -0.58 -1.26 -4.85 120.64 115.84 1m8c n GLU 10 Ca -0.11 -4.41 -0.04 0.00 -0.42 0.00 0.00 57.16 52.18 1m8c n GLU 10 Cb 0.97 -2.09 0.06 0.00 -0.57 0.00 0.00 31.44 29.81 1m8c n GLU 10 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1m8c n TYR 11 N -0.27 -0.72 -2.20 -0.32 4.01 -1.26 -5.10 117.16 111.30 1m8c n TYR 11 Ca 0.31 -0.73 -0.33 0.00 -0.16 0.00 0.00 57.90 57.00 1m8c n TYR 11 Cb 0.57 1.11 -0.01 0.00 -0.31 0.00 0.00 39.34 40.71 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 0.45 3.50 0.53 -0.72 0.04 -1.24 -4.66 135.00 132.90 1m8c s PRO 12 Ca 0.25 1.22 0.33 0.00 0.04 0.00 0.00 61.00 62.84 1m8c s PRO 12 Cb 0.18 -2.06 1.80 0.00 0.04 0.00 0.00 34.50 34.46 1m8c s PRO 12 CO -0.10 -0.66 2.01 -0.22 0.04 0.00 0.00 177.00 178.07 1m8c h LYS 13 N 0.76 0.00 -0.66 4.56 3.64 -1.95 0.80 116.57 123.72 1m8c h LYS 13 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1m8c h LYS 13 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1m8c h LYS 13 CO 0.58 0.00 0.00 -3.47 -2.27 0.00 0.00 179.45 174.29 1m8c n ASP 14 N -2.71 4.50 -2.69 4.20 -0.08 -1.26 -4.46 116.55 114.06 1m8c n ASP 14 Ca -0.02 -2.62 -0.04 0.00 -1.51 0.00 0.00 54.79 50.59 1m8c n ASP 14 Cb 0.11 -0.61 0.05 0.00 2.34 0.00 0.00 41.12 43.01 1m8c n ASP 14 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1m8c n ALA 15 N 0.61 -3.20 -2.65 -1.67 0.00 0.28 -5.04 120.51 108.83 1m8c n ALA 15 Ca 0.22 -0.39 -0.02 0.00 0.00 0.00 0.00 53.44 53.25 1m8c n ALA 15 Cb 0.92 -2.84 0.11 0.00 0.00 0.00 0.00 19.45 17.64 1m8c n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m8c s THR 17 N 0.01 2.73 0.00 0.00 -4.23 -1.26 -4.73 115.64 108.17 1m8c s THR 17 Ca 0.18 -2.16 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 1m8c s THR 17 Cb 0.27 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.70 1m8c s THR 17 CO -0.20 -0.31 0.00 -0.11 -0.54 0.00 0.00 174.62 173.45 1m8c n LEU 18 N -0.45 0.00 -4.55 4.79 7.94 -1.26 -4.90 117.00 118.57 1m8c n LEU 18 Ca -0.07 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 54.45 1m8c n LEU 18 Cb 0.59 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.51 1m8c n LEU 18 CO 0.37 0.00 1.75 -1.61 -1.11 0.00 0.00 177.39 176.79 1m8c s GLU 19 N 0.00 2.43 -0.27 1.96 8.01 -1.26 -4.93 118.70 124.64 1m8c s GLU 19 Ca 0.00 0.88 -0.15 0.00 0.01 0.00 0.00 54.97 55.71 1m8c s GLU 19 Cb 0.00 -4.47 -0.04 0.00 -4.31 0.00 0.00 34.13 25.32 1m8c s GLU 19 CO 0.00 -2.95 0.39 -0.47 0.01 0.00 0.00 175.26 172.24 1m8c s TYR 20 N 10.24 3.25 -0.22 1.61 5.04 -1.26 -4.89 117.35 131.12 1m8c s TYR 20 Ca 0.78 0.44 -0.03 0.00 -2.44 0.00 0.00 57.07 55.82 1m8c s TYR 20 Cb -0.14 -2.59 0.07 0.00 0.35 0.00 0.00 41.96 39.65 1m8c s TYR 20 CO 0.22 -0.24 0.06 1.03 -1.34 0.00 0.00 175.55 175.28 1m8c s ARG 21 N 2.10 0.60 0.43 4.97 3.00 0.39 -5.01 118.95 125.42 1m8c s ARG 21 Ca 0.16 -0.53 -0.23 0.00 0.00 0.00 0.00 55.73 55.13 1m8c s ARG 21 Cb -0.16 -2.00 -0.09 0.00 0.00 0.00 0.00 34.95 32.71 1m8c s ARG 21 CO 0.10 -0.74 1.05 -1.25 0.00 0.00 0.00 175.30 174.46 1m8c s PRO 22 N 1.85 4.03 -0.09 3.54 0.04 -1.25 -2.46 135.00 140.67 1m8c s PRO 22 Ca 0.02 1.47 -0.30 0.00 0.04 0.00 0.00 61.00 62.23 1m8c s PRO 22 Cb -0.17 -2.39 0.10 0.00 0.04 0.00 0.00 34.50 32.08 1m8c s PRO 22 CO -0.13 -0.25 0.83 -0.48 0.04 0.00 0.00 177.00 177.01 1m8c s LEU 23 N -2.93 -0.51 0.08 -3.56 2.34 -0.54 0.31 118.68 113.87 1m8c s LEU 23 Ca 0.61 0.52 0.05 0.00 0.06 0.00 0.00 54.13 55.37 1m8c s LEU 23 Cb -0.20 2.22 -0.04 0.00 -0.56 0.00 0.00 46.19 47.60 1m8c s LEU 23 CO 0.25 -0.51 -0.02 0.00 -1.06 0.00 0.00 176.35 175.02 1m8c s GLY 25 N -2.18 1.67 0.39 0.00 0.00 -0.16 -1.00 107.32 106.04 1m8c s GLY 25 Ca 0.24 -1.54 0.26 0.00 0.00 0.00 0.00 44.72 43.68 1m8c s GLY 25 CO 0.16 -1.47 1.80 0.23 0.00 0.00 0.00 173.10 173.83 1m8c h SER 26 N 1.06 0.00 0.16 1.64 0.87 -1.55 0.83 113.55 116.56 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 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1m8c h SER 26 CO 0.55 0.00 -0.27 -0.90 -0.53 0.00 0.00 176.83 175.69 1m8c n ASP 27 N -2.42 1.30 0.00 6.23 5.75 -1.26 -4.91 116.55 121.23 1m8c n ASP 27 Ca -0.02 -1.09 0.00 0.00 -0.01 0.00 0.00 54.79 53.67 1m8c n ASP 27 Cb 0.05 0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 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 -0.41 -1.56 -4.77 -1.12 5.15 0.29 -5.03 115.26 107.80 1m8c n ASN 28 Ca 0.12 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.71 1m8c n ASN 28 Cb 0.38 -0.45 -0.06 0.00 -0.53 0.00 0.00 39.78 39.12 1m8c n ASN 28 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1m8c s LYS 29 N -3.02 4.45 -0.32 1.20 1.02 -1.24 -4.78 119.74 117.06 1m8c s LYS 29 Ca 0.00 1.00 -0.15 0.00 0.02 0.00 0.00 55.97 56.84 1m8c s LYS 29 Cb 0.00 -3.30 -0.02 0.00 -0.52 0.00 0.00 37.83 33.99 1m8c s LYS 29 CO 0.00 0.46 0.36 0.99 -0.92 0.00 0.00 175.35 176.25 1m8c s THR 30 N -0.67 5.17 0.13 2.17 2.01 -1.26 -0.99 115.64 122.20 1m8c s THR 30 Ca 0.35 0.22 0.08 0.00 0.31 0.00 0.00 61.69 62.65 1m8c s THR 30 Cb -0.21 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 1m8c s THR 30 CO 0.23 -0.01 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.74 1m8c s TYR 31 N 2.04 2.70 -0.58 4.92 2.02 0.30 -5.00 117.35 123.75 1m8c s TYR 31 Ca 0.13 -0.18 0.15 0.00 -0.37 0.00 0.00 57.07 56.79 1m8c s TYR 31 Cb -0.16 -1.39 -0.18 0.00 -0.40 0.00 0.00 41.96 39.83 1m8c s TYR 31 CO 0.11 0.44 0.58 0.41 -1.57 0.00 0.00 175.55 175.53 1m8c n GLY 32 N 0.53 -0.47 3.23 0.71 0.00 -1.26 -1.47 105.19 106.46 1m8c n GLY 32 Ca -0.13 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.67 0.00 0.29 1.61 0.01 -1.03 -0.46 114.94 112.69 1m8c s ASN 33 Ca 0.04 -0.45 0.14 0.00 -0.71 0.00 0.00 52.86 51.88 1m8c s ASN 33 Cb 0.11 0.35 0.32 0.00 0.41 0.00 0.00 41.25 42.44 1m8c s ASN 33 CO 0.62 -0.69 1.56 0.11 -1.51 0.00 0.00 177.10 177.20 1m8c h LYS 34 N 2.94 0.00 -0.49 -0.60 6.56 -1.91 -1.57 116.57 121.50 1m8c h LYS 34 Ca -0.33 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.14 1m8c h LYS 34 Cb 1.21 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.85 1m8c h LYS 34 CO 0.51 0.56 -0.15 0.00 -2.06 0.00 0.00 179.45 178.31 1m8c h ASN 36 N 0.83 0.89 0.50 0.00 -0.73 -1.92 0.24 115.58 115.38 1m8c h ASN 36 Ca 0.12 -0.56 -0.02 0.00 1.87 0.00 0.00 56.30 57.71 1m8c h ASN 36 Cb 0.70 -0.26 0.00 0.00 0.27 0.00 0.00 38.32 39.04 1m8c h ASN 36 CO 0.05 1.35 -0.24 0.15 -0.37 0.00 0.00 177.43 178.38 1m8c h PHE 37 N 0.53 -0.62 -0.13 0.67 3.04 -1.04 0.35 116.94 119.74 1m8c h PHE 37 Ca -0.04 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.85 1m8c h PHE 37 Cb 1.35 0.20 -0.01 0.00 2.56 0.00 0.00 35.95 40.05 1m8c h PHE 37 CO 0.08 -0.33 -0.12 0.00 -2.02 0.00 0.00 178.31 175.92 1m8c h ASN 39 N 0.19 0.66 0.51 0.00 -0.73 -0.59 -0.92 115.58 114.70 1m8c h ASN 39 Ca 0.04 -0.08 -0.16 0.00 1.87 0.00 0.00 56.30 57.97 1m8c h ASN 39 Cb 0.33 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.74 1m8c h ASN 39 CO 0.02 0.55 -0.69 0.00 -0.37 0.00 0.00 177.43 176.95 1m8c h ALA 40 N 1.13 0.79 -0.29 1.57 0.00 -0.12 -3.06 119.26 119.28 1m8c h ALA 40 Ca 0.19 -0.60 0.03 0.00 0.00 0.00 0.00 54.91 54.52 1m8c h ALA 40 Cb 0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1m8c h ALA 40 CO -0.03 0.80 0.10 0.28 0.00 0.00 0.00 179.25 180.41 1m8c h VAL 41 N 0.11 0.93 -0.23 0.00 2.07 -0.04 0.31 116.25 119.39 1m8c h VAL 41 Ca -0.01 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.44 1m8c h VAL 41 Cb 1.22 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1m8c h VAL 41 CO 0.10 0.04 0.15 0.58 0.02 0.00 0.00 177.57 178.46 1m8c h VAL 42 N 0.24 1.03 0.00 2.57 2.07 -1.14 0.41 116.25 121.42 1m8c h VAL 42 Ca 0.13 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1m8c h VAL 42 Cb 0.09 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1m8c h VAL 42 CO -0.13 0.05 0.00 -0.08 0.02 0.00 0.00 177.57 177.43 1m8c h GLU 43 N 0.26 0.00 -0.94 1.57 4.57 -0.91 -2.74 114.58 116.38 1m8c h GLU 43 Ca 0.09 0.00 -0.39 0.00 -1.18 0.00 0.00 59.36 57.88 1m8c h GLU 43 Cb 0.04 0.00 -0.23 0.00 -0.16 0.00 0.00 28.75 28.40 1m8c h GLU 43 CO -0.02 0.00 0.49 0.43 -1.18 0.00 0.00 179.01 178.73 1m8c n SER 44 N -3.08 3.91 -0.01 1.04 7.64 0.89 -4.82 113.62 119.19 1m8c n SER 44 Ca 0.02 -3.33 -0.00 0.00 1.01 0.00 0.00 58.87 56.57 1m8c n SER 44 Cb 0.38 -0.78 -0.00 0.00 -1.01 0.00 0.00 64.21 62.80 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 -0.72 -4.92 0.00 6.43 4.13 -1.03 -1.07 115.26 118.07 1m8c n ASN 45 Ca 0.49 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.75 1m8c n ASN 45 Cb 1.47 -2.43 0.00 0.00 -1.54 0.00 0.00 39.78 37.29 1m8c n ASN 45 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1m8c n GLY 46 N -0.44 0.54 0.11 7.41 0.00 0.10 -4.93 105.19 107.98 1m8c n GLY 46 Ca -0.00 -0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.62 1m8c n GLY 46 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1m8c h THR 47 N 0.00 1.41 -1.50 2.61 2.02 -1.22 -3.46 112.91 112.77 1m8c h THR 47 Ca 0.00 -2.45 -0.71 0.00 0.77 0.00 0.00 66.41 64.02 1m8c h THR 47 Cb 0.00 3.06 0.06 0.00 -1.74 0.00 0.00 68.15 69.53 1m8c h THR 47 CO 0.00 0.67 0.30 -0.11 0.37 0.00 0.00 175.52 176.75 1m8c n LEU 48 N -4.18 1.10 0.00 2.58 7.94 -1.25 -4.95 117.00 118.23 1m8c n LEU 48 Ca -0.17 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.86 1m8c n LEU 48 Cb 0.77 -1.11 0.00 0.00 0.53 0.00 0.00 43.42 43.61 1m8c n LEU 48 CO 0.42 -1.36 0.00 0.35 -1.11 0.00 0.00 177.39 175.69 1m8c n THR 49 N 2.07 0.00 -3.81 1.96 -2.24 -1.26 -4.80 114.28 106.19 1m8c n THR 49 Ca 0.18 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.60 1m8c n THR 49 Cb 0.17 -0.02 -0.13 0.00 -2.10 0.00 0.00 70.33 68.24 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 3.47 0.08 3.22 2.96 -1.26 -1.52 118.68 125.63 1m8c s LEU 50 Ca 0.00 -0.53 -0.14 0.00 -0.22 0.00 0.00 54.13 53.24 1m8c s LEU 50 Cb 0.00 -1.84 -0.21 0.00 0.50 0.00 0.00 46.19 44.65 1m8c s LEU 50 CO 0.00 -0.11 1.23 -1.28 -1.32 0.00 0.00 176.35 174.87 1m8c h SER 51 N 8.19 0.93 -5.85 3.68 0.87 -1.22 -3.43 113.55 116.72 1m8c h SER 51 Ca -0.35 -0.70 0.35 0.00 -1.23 0.00 0.00 61.79 59.86 1m8c h SER 51 Cb 1.14 -0.28 -0.12 0.00 -0.44 0.00 0.00 62.40 62.70 1m8c h SER 51 CO 0.60 1.50 0.89 -1.38 -0.53 0.00 0.00 176.83 177.91 1m8c s HIS 52 N -3.47 -0.02 0.85 2.24 0.00 -1.13 -4.97 115.29 108.79 1m8c s HIS 52 Ca -0.10 -0.05 -0.12 0.00 -3.00 0.00 0.00 55.06 51.79 1m8c s HIS 52 Cb 0.07 0.53 0.13 0.00 -4.00 0.00 0.00 32.58 29.32 1m8c s HIS 52 CO 0.92 -0.19 1.20 -0.06 -1.00 0.00 0.00 174.74 175.61 1m8c s PHE 53 N -2.25 2.29 0.34 0.38 0.40 -1.26 -0.74 117.98 117.15 1m8c s PHE 53 Ca 0.17 0.46 0.00 0.00 -0.60 0.00 0.00 56.93 56.96 1m8c s PHE 53 Cb 0.05 -3.68 0.00 0.00 0.51 0.00 0.00 43.02 39.90 1m8c s PHE 53 CO -0.04 -2.09 0.00 0.41 0.70 0.00 0.00 175.22 174.20 1m8c n GLY 54 N -3.42 -1.89 3.19 4.36 0.00 0.15 -4.42 105.19 103.16 1m8c n GLY 54 Ca 0.11 -1.14 -0.31 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 -4.28 -1.49 0.00 1.61 -0.00 -1.26 -2.06 118.16 110.67 1m8c n LYS 55 Ca 0.01 -0.42 0.13 0.00 -0.00 0.00 0.00 58.31 58.02 1m8c n LYS 55 Cb 0.67 -1.55 0.32 0.00 -0.00 0.00 0.00 35.03 34.46 1m8c n LYS 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40