#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m8c s ALA 2 N 0.00 -1.66 -0.23 1.96 0.00 -1.26 -5.13 121.76 115.44 1m8c s ALA 2 Ca 0.00 0.05 -0.25 0.00 0.00 0.00 0.00 51.96 51.75 1m8c s ALA 2 Cb 0.00 0.65 -0.00 0.00 0.00 0.00 0.00 23.12 23.76 1m8c s ALA 2 CO 0.00 -1.05 0.86 0.00 0.00 0.00 0.00 175.76 175.57 1m8c s ALA 3 N -2.97 3.63 0.17 0.00 0.00 -1.26 -4.98 121.76 116.35 1m8c s ALA 3 Ca 0.15 -0.06 -0.23 0.00 0.00 0.00 0.00 51.96 51.81 1m8c s ALA 3 Cb -0.01 -3.31 0.07 0.00 0.00 0.00 0.00 23.12 19.87 1m8c s ALA 3 CO 0.03 -0.89 1.01 0.54 0.00 0.00 0.00 175.76 176.44 1m8c s VAL 4 N 2.76 0.00 0.26 0.00 0.11 -1.26 -5.03 120.40 117.24 1m8c s VAL 4 Ca 0.37 -0.62 0.00 0.00 -2.93 0.00 0.00 61.98 58.80 1m8c s VAL 4 Cb -0.15 -2.50 0.00 0.00 -1.53 0.00 0.00 36.38 32.20 1m8c s VAL 4 CO 0.08 0.00 0.00 -1.54 -3.33 0.00 0.00 175.10 170.31 1m8c n SER 5 N -0.90 -8.39 -4.74 3.54 3.41 -1.26 -4.94 113.62 100.34 1m8c n SER 5 Ca -0.05 1.21 -0.36 0.00 -0.26 0.00 0.00 58.87 59.41 1m8c n SER 5 Cb 0.60 -4.48 -0.08 0.00 -0.26 0.00 0.00 64.21 60.00 1m8c n SER 5 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1m8c s VAL 6 N -1.17 5.38 -0.27 -3.33 -7.23 -1.26 -5.05 120.40 107.47 1m8c s VAL 6 Ca 0.00 0.32 -0.24 0.00 -1.81 0.00 0.00 61.98 60.25 1m8c s VAL 6 Cb 0.00 -3.52 -0.00 0.00 0.56 0.00 0.00 36.38 33.41 1m8c s VAL 6 CO 0.00 0.44 0.80 1.51 -0.31 0.00 0.00 175.10 177.54 1m8c s ASP 7 N 0.28 6.75 -0.41 4.85 1.47 -1.26 -4.92 116.67 123.43 1m8c s ASP 7 Ca 0.11 0.87 -0.01 0.00 1.18 0.00 0.00 52.55 54.70 1m8c s ASP 7 Cb -0.12 -2.42 0.26 0.00 -0.34 0.00 0.00 42.92 40.31 1m8c s ASP 7 CO 0.01 -0.54 2.06 0.00 0.68 0.00 0.00 175.17 177.37 1m8c h SER 9 N 1.68 0.03 -2.08 0.00 0.02 -2.03 -3.39 113.55 107.78 1m8c h SER 9 Ca 0.37 -0.06 -0.54 0.00 -0.84 0.00 0.00 61.79 60.72 1m8c h SER 9 Cb 0.87 -0.01 -0.41 0.00 0.14 0.00 0.00 62.40 62.99 1m8c h SER 9 CO 0.97 1.05 -0.89 -1.84 -1.14 0.00 0.00 176.83 174.98 1m8c n GLU 10 N -3.11 2.25 -2.68 3.45 0.28 -1.26 -4.91 120.64 114.66 1m8c n GLU 10 Ca -0.15 -4.18 -0.03 0.00 -0.16 0.00 0.00 57.16 52.63 1m8c n GLU 10 Cb 1.04 -1.99 0.03 0.00 1.43 0.00 0.00 31.44 31.95 1m8c n GLU 10 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1m8c s TYR 11 N -3.04 -0.40 0.62 -1.84 2.02 -1.26 -5.15 117.35 108.30 1m8c s TYR 11 Ca 0.44 -0.14 -0.14 0.00 -0.37 0.00 0.00 57.07 56.87 1m8c s TYR 11 Cb 0.32 0.08 -0.02 0.00 -0.40 0.00 0.00 41.96 41.94 1m8c s TYR 11 CO -0.11 -0.32 1.05 -1.25 -1.57 0.00 0.00 175.55 173.35 1m8c s PRO 12 N 0.99 3.23 0.56 -1.71 0.04 -1.26 -4.67 135.00 132.17 1m8c s PRO 12 Ca 0.24 1.09 0.34 0.00 0.04 0.00 0.00 61.00 62.71 1m8c s PRO 12 Cb 0.12 -2.03 1.51 0.00 0.04 0.00 0.00 34.50 34.14 1m8c s PRO 12 CO -0.10 -0.87 2.04 1.57 0.04 0.00 0.00 177.00 179.68 1m8c h LYS 13 N 0.05 0.00 -0.01 4.56 5.09 -1.98 -0.34 116.57 123.93 1m8c h LYS 13 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.28 1m8c h LYS 13 Cb 1.21 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.54 1m8c h LYS 13 CO 0.58 0.04 0.00 -0.25 -2.09 0.00 0.00 179.45 177.72 1m8c n ASP 14 N -3.18 0.21 -3.39 7.07 9.92 -1.26 -4.31 116.55 121.61 1m8c n ASP 14 Ca -0.00 -1.22 -0.20 0.00 -0.53 0.00 0.00 54.79 52.83 1m8c n ASP 14 Cb 0.27 -0.01 -0.09 0.00 -0.64 0.00 0.00 41.12 40.66 1m8c n ASP 14 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1m8c s ALA 15 N -1.99 -0.06 -0.35 2.24 0.00 -0.14 -4.97 121.76 116.49 1m8c s ALA 15 Ca 0.40 -1.20 0.04 0.00 0.00 0.00 0.00 51.96 51.19 1m8c s ALA 15 Cb 0.19 -1.92 0.32 0.00 0.00 0.00 0.00 23.12 21.71 1m8c s ALA 15 CO 0.31 -2.12 1.34 0.00 0.00 0.00 0.00 175.76 175.29 1m8c s THR 17 N 0.09 1.71 0.00 0.00 -4.23 -1.26 -4.78 115.64 107.17 1m8c s THR 17 Ca 0.21 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 1m8c s THR 17 Cb 0.29 -1.56 0.00 0.00 1.34 0.00 0.00 72.50 72.57 1m8c s THR 17 CO -0.17 -0.05 0.00 -0.11 -0.54 0.00 0.00 174.62 173.75 1m8c n LEU 18 N 1.10 0.00 -4.67 4.79 0.00 -1.26 -4.91 117.00 112.05 1m8c n LEU 18 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 56.01 55.39 1m8c n LEU 18 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.93 1m8c n LEU 18 CO 0.22 0.00 1.36 -1.61 0.00 0.00 0.00 177.39 177.36 1m8c s GLU 19 N 0.00 4.19 -0.19 1.96 8.01 -1.26 -4.98 118.70 126.43 1m8c s GLU 19 Ca 0.00 2.25 0.00 0.00 0.01 0.00 0.00 54.97 57.24 1m8c s GLU 19 Cb 0.00 -3.84 0.02 0.00 -4.31 0.00 0.00 34.13 25.99 1m8c s GLU 19 CO 0.00 -0.80 -0.17 -0.47 0.01 0.00 0.00 175.26 173.83 1m8c s TYR 20 N 3.49 2.83 -0.20 1.61 5.04 -1.26 -4.89 117.35 123.97 1m8c s TYR 20 Ca 0.74 -1.56 -0.04 0.00 -2.44 0.00 0.00 57.07 53.77 1m8c s TYR 20 Cb -0.36 -1.95 0.07 0.00 0.35 0.00 0.00 41.96 40.07 1m8c s TYR 20 CO 0.31 -0.77 0.09 1.03 -1.34 0.00 0.00 175.55 174.87 1m8c s ARG 21 N 1.31 0.19 0.37 4.97 0.52 -0.27 -5.00 118.95 121.03 1m8c s ARG 21 Ca 0.05 -0.24 -0.25 0.00 -0.52 0.00 0.00 55.73 54.76 1m8c s ARG 21 Cb -0.13 -1.76 -0.09 0.00 0.52 0.00 0.00 34.95 33.49 1m8c s ARG 21 CO -0.11 -0.74 1.06 -1.25 0.02 0.00 0.00 175.30 174.28 1m8c s PRO 22 N 2.08 4.30 0.20 3.54 0.04 -1.26 -1.43 135.00 142.46 1m8c s PRO 22 Ca 0.03 1.59 -0.03 0.00 0.04 0.00 0.00 61.00 62.63 1m8c s PRO 22 Cb -0.16 -2.72 -0.03 0.00 0.04 0.00 0.00 34.50 31.62 1m8c s PRO 22 CO -0.14 -0.04 0.17 -0.51 0.04 0.00 0.00 177.00 176.52 1m8c s LEU 23 N -2.31 1.08 -0.06 -3.56 1.02 -0.57 -0.69 118.68 113.59 1m8c s LEU 23 Ca 0.54 -1.30 0.01 0.00 0.02 0.00 0.00 54.13 53.40 1m8c s LEU 23 Cb -0.25 0.58 0.02 0.00 0.02 0.00 0.00 46.19 46.56 1m8c s LEU 23 CO 0.31 -0.87 -0.07 0.00 0.02 0.00 0.00 176.35 175.74 1m8c s GLY 25 N 1.03 1.62 0.54 0.00 0.00 0.14 0.20 107.32 110.85 1m8c s GLY 25 Ca -0.09 -1.06 0.25 0.00 0.00 0.00 0.00 44.72 43.82 1m8c s GLY 25 CO -0.00 -0.85 2.16 0.23 0.00 0.00 0.00 173.10 174.63 1m8c h SER 26 N 0.25 0.00 -0.33 1.64 0.87 -1.49 0.28 113.55 114.77 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 0.57 0.06 0.00 -0.90 -0.53 0.00 0.00 176.83 176.02 1m8c n ASP 27 N -3.96 2.63 -1.83 6.23 5.75 -1.26 -4.85 116.55 119.27 1m8c n ASP 27 Ca -0.03 -2.22 -0.13 0.00 -0.01 0.00 0.00 54.79 52.41 1m8c n ASP 27 Cb 0.15 -0.41 0.02 0.00 -1.03 0.00 0.00 41.12 39.85 1m8c n ASP 27 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1m8c n ASN 28 N 0.46 -4.16 -4.69 -1.12 3.02 0.99 -4.98 115.26 104.78 1m8c n ASN 28 Ca 0.13 -0.17 -0.41 0.00 -0.03 0.00 0.00 54.58 54.11 1m8c n ASN 28 Cb 0.50 -3.04 -0.05 0.00 -0.61 0.00 0.00 39.78 36.59 1m8c n ASN 28 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1m8c s LYS 29 N -5.20 4.35 -0.52 3.52 2.20 -1.21 -4.76 119.74 118.12 1m8c s LYS 29 Ca 0.18 0.91 -0.18 0.00 -0.36 0.00 0.00 55.97 56.52 1m8c s LYS 29 Cb -0.08 -3.52 0.08 0.00 -1.51 0.00 0.00 37.83 32.80 1m8c s LYS 29 CO 0.22 -0.14 0.56 0.99 -0.36 0.00 0.00 175.35 176.61 1m8c s THR 30 N 1.52 5.00 0.38 3.43 2.01 -1.26 0.26 115.64 126.98 1m8c s THR 30 Ca 0.37 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.53 1m8c s THR 30 Cb -0.17 -4.29 -0.03 0.00 0.01 0.00 0.00 72.50 68.03 1m8c s THR 30 CO 0.15 -0.80 0.59 -0.31 -0.69 0.00 0.00 174.62 173.56 1m8c s TYR 31 N 2.25 3.43 -0.24 4.92 2.02 -0.35 -4.91 117.35 124.47 1m8c s TYR 31 Ca 0.10 0.35 0.02 0.00 -0.37 0.00 0.00 57.07 57.17 1m8c s TYR 31 Cb -0.23 -2.02 0.01 0.00 -0.40 0.00 0.00 41.96 39.32 1m8c s TYR 31 CO 0.08 -0.02 0.48 0.41 -1.57 0.00 0.00 175.55 174.93 1m8c n GLY 32 N -1.89 -0.88 3.64 0.71 0.00 -1.26 -1.51 105.19 104.01 1m8c n GLY 32 Ca -0.03 -0.06 -0.07 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.37 -0.31 0.09 1.61 -0.87 -0.52 -1.12 114.94 113.45 1m8c s ASN 33 Ca 0.02 -0.26 -0.13 0.00 -1.57 0.00 0.00 52.86 50.92 1m8c s ASN 33 Cb 0.02 0.52 -0.20 0.00 -0.02 0.00 0.00 41.25 41.57 1m8c s ASN 33 CO 0.04 -0.92 1.24 0.11 -2.57 0.00 0.00 177.10 175.00 1m8c h LYS 34 N 2.00 0.75 -0.31 -0.60 1.79 -1.94 -1.58 116.57 116.69 1m8c h LYS 34 Ca -0.24 -0.71 -0.00 0.00 -2.18 0.00 0.00 60.65 57.51 1m8c h LYS 34 Cb 1.25 0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 32.07 1m8c h LYS 34 CO 0.29 1.30 0.18 0.00 -1.08 0.00 0.00 179.45 180.14 1m8c h ASN 36 N 0.39 0.79 -0.06 0.00 -0.73 -1.95 0.23 115.58 114.25 1m8c h ASN 36 Ca 0.11 -0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.24 1m8c h ASN 36 Cb 0.04 -0.20 -0.00 0.00 0.27 0.00 0.00 38.32 38.43 1m8c h ASN 36 CO -0.02 0.60 0.04 0.15 -0.37 0.00 0.00 177.43 177.82 1m8c h PHE 37 N 0.91 0.07 0.00 0.67 3.04 -0.68 -0.39 116.94 120.55 1m8c h PHE 37 Ca 0.24 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.16 1m8c h PHE 37 Cb -0.06 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 38.42 1m8c h PHE 37 CO -0.02 0.06 -0.16 0.00 -2.02 0.00 0.00 178.31 176.17 1m8c h ASN 39 N 0.00 0.53 0.38 0.00 -0.73 0.64 0.14 115.58 116.54 1m8c h ASN 39 Ca -0.00 -0.29 -0.16 0.00 1.87 0.00 0.00 56.30 57.72 1m8c h ASN 39 Cb 0.34 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.77 1m8c h ASN 39 CO 0.02 0.69 -0.66 0.00 -0.37 0.00 0.00 177.43 177.11 1m8c h ALA 40 N 0.86 0.76 -0.40 1.57 0.00 -0.31 -2.55 119.26 119.19 1m8c h ALA 40 Ca 0.09 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1m8c h ALA 40 Cb 0.41 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1m8c h ALA 40 CO 0.01 0.76 0.11 0.28 0.00 0.00 0.00 179.25 180.42 1m8c h VAL 41 N 0.19 1.22 -0.83 0.00 2.07 -0.39 -0.13 116.25 118.37 1m8c h VAL 41 Ca -0.01 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1m8c h VAL 41 Cb 1.20 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 1m8c h VAL 41 CO 0.10 0.26 0.53 1.62 0.02 0.00 0.00 177.57 180.10 1m8c h VAL 42 N 0.50 1.22 0.00 2.57 3.04 -0.64 0.41 116.25 123.36 1m8c h VAL 42 Ca 0.13 -0.44 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 1m8c h VAL 42 Cb 0.28 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 29.58 1m8c h VAL 42 CO -0.00 0.22 0.00 1.21 -1.01 0.00 0.00 177.57 177.99 1m8c n GLU 43 N -4.48 0.21 -0.53 4.17 2.13 -0.97 -1.78 120.64 119.40 1m8c n GLU 43 Ca 0.09 0.40 0.07 0.00 0.66 0.00 0.00 57.16 58.37 1m8c n GLU 43 Cb 0.03 -1.87 0.29 0.00 0.27 0.00 0.00 31.44 30.16 1m8c n GLU 43 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1m8c n SER 44 N -2.26 4.02 0.00 4.31 2.88 0.22 -4.86 113.62 117.93 1m8c n SER 44 Ca 0.03 -2.42 0.00 0.00 -1.33 0.00 0.00 58.87 55.14 1m8c n SER 44 Cb 0.26 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 1m8c n SER 44 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1m8c n ASN 45 N 0.78 -3.11 0.00 -3.46 5.15 -0.73 -1.67 115.26 112.21 1m8c n ASN 45 Ca 0.21 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.19 1m8c n ASN 45 Cb 0.78 -1.62 0.00 0.00 -0.53 0.00 0.00 39.78 38.41 1m8c n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1m8c n GLY 46 N -1.45 0.58 0.10 8.20 0.00 0.12 -4.95 105.19 107.79 1m8c n GLY 46 Ca 0.00 -0.47 -0.19 0.00 0.00 0.00 0.00 46.02 45.36 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 1.20 -1.50 2.61 2.02 -1.47 -3.47 112.91 112.29 1m8c h THR 47 Ca 0.00 -2.28 -0.63 0.00 0.77 0.00 0.00 66.41 64.27 1m8c h THR 47 Cb 0.00 2.68 0.15 0.00 -1.74 0.00 0.00 68.15 69.23 1m8c h THR 47 CO 0.00 0.49 -0.84 -0.11 0.37 0.00 0.00 175.52 175.43 1m8c n LEU 48 N -4.36 -2.46 -4.51 2.58 7.94 -1.26 -4.97 117.00 109.95 1m8c n LEU 48 Ca -0.24 0.89 -0.26 0.00 -1.11 0.00 0.00 56.01 55.29 1m8c n LEU 48 Cb 0.67 -0.90 -0.08 0.00 0.53 0.00 0.00 43.42 43.65 1m8c n LEU 48 CO 0.28 -3.89 -0.17 0.42 -1.11 0.00 0.00 177.39 172.93 1m8c s THR 49 N -1.50 0.45 -0.40 1.96 -4.23 -1.26 -4.93 115.64 105.73 1m8c s THR 49 Ca 0.60 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 59.02 1m8c s THR 49 Cb -0.71 -2.28 0.06 0.00 1.34 0.00 0.00 72.50 70.91 1m8c s THR 49 CO 0.61 0.00 0.23 -0.22 -0.54 0.00 0.00 174.62 174.69 1m8c s LEU 50 N -3.62 4.96 0.27 4.79 2.96 -1.26 -1.30 118.68 125.49 1m8c s LEU 50 Ca 0.23 -1.38 -0.02 0.00 -0.22 0.00 0.00 54.13 52.74 1m8c s LEU 50 Cb 0.01 -1.97 0.38 0.00 0.50 0.00 0.00 46.19 45.11 1m8c s LEU 50 CO 0.16 -0.48 1.84 -1.28 -1.32 0.00 0.00 176.35 175.27 1m8c h SER 51 N 8.38 0.85 -2.06 3.68 0.87 -0.39 -3.39 113.55 121.48 1m8c h SER 51 Ca -0.23 -0.13 0.30 0.00 -1.23 0.00 0.00 61.79 60.50 1m8c h SER 51 Cb 1.09 -0.22 -0.06 0.00 -0.44 0.00 0.00 62.40 62.77 1m8c h SER 51 CO 0.72 0.78 0.80 0.00 -0.53 0.00 0.00 176.83 178.60 1m8c n HIS 52 N -4.30 -0.49 -2.31 2.24 -0.00 -0.88 -4.98 115.22 104.50 1m8c n HIS 52 Ca 0.05 -0.74 -0.26 0.00 -0.00 0.00 0.00 57.72 56.78 1m8c n HIS 52 Cb 0.19 0.34 0.13 0.00 -0.00 0.00 0.00 29.99 30.65 1m8c n HIS 52 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1m8c s PHE 53 N -2.13 1.71 0.35 -1.40 0.40 -1.26 -1.49 117.98 114.16 1m8c s PHE 53 Ca 0.27 0.01 0.00 0.00 -0.60 0.00 0.00 56.93 56.61 1m8c s PHE 53 Cb -0.01 -3.43 0.00 0.00 0.51 0.00 0.00 43.02 40.09 1m8c s PHE 53 CO 0.00 -2.03 0.00 0.41 0.70 0.00 0.00 175.22 174.30 1m8c n GLY 54 N -3.19 -1.86 3.34 4.36 0.00 0.13 -4.33 105.19 103.64 1m8c n GLY 54 Ca 0.14 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 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 -3.66 -1.30 0.00 1.61 2.85 -1.26 -2.25 118.16 114.16 1m8c n LYS 55 Ca -0.02 -0.35 0.15 0.00 -1.05 0.00 0.00 58.31 57.03 1m8c n LYS 55 Cb 0.64 -1.81 0.64 0.00 -0.65 0.00 0.00 35.03 33.85 1m8c n LYS 55 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35