#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 4.36 -1.70 -1.18 0.00 -1.26 -5.03 120.51 115.70 1m8c n ALA 2 Ca 0.00 -4.69 -0.43 0.00 0.00 0.00 0.00 53.44 48.32 1m8c n ALA 2 Cb 0.00 -2.15 -0.03 0.00 0.00 0.00 0.00 19.45 17.27 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 2.12 2.45 -2.24 0.00 0.00 -1.26 -4.98 120.51 116.60 1m8c n ALA 3 Ca 0.24 0.38 -0.14 0.00 0.00 0.00 0.00 53.44 53.93 1m8c n ALA 3 Cb 0.37 -2.52 -0.10 0.00 0.00 0.00 0.00 19.45 17.20 1m8c n ALA 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1m8c s VAL 4 N 1.59 0.33 0.24 0.00 0.11 -1.26 -5.18 120.40 116.23 1m8c s VAL 4 Ca 0.78 -1.98 -0.16 0.00 -2.93 0.00 0.00 61.98 57.68 1m8c s VAL 4 Cb -0.53 -2.43 0.01 0.00 -1.53 0.00 0.00 36.38 31.91 1m8c s VAL 4 CO 0.35 -0.14 0.55 -0.44 -3.33 0.00 0.00 175.10 172.08 1m8c s SER 5 N -3.20 -0.18 -0.11 3.54 0.01 -1.26 -4.94 113.70 107.56 1m8c s SER 5 Ca 0.34 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.89 1m8c s SER 5 Cb 0.07 0.62 -0.02 0.00 0.21 0.00 0.00 66.02 66.90 1m8c s SER 5 CO 0.10 -1.16 -0.11 -0.69 0.41 0.00 0.00 173.24 171.79 1m8c s VAL 6 N -3.95 3.30 -0.11 3.43 1.01 -1.26 -5.11 120.40 117.71 1m8c s VAL 6 Ca 0.15 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 1m8c s VAL 6 Cb -0.02 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1m8c s VAL 6 CO 0.05 0.54 0.00 -0.62 0.00 0.00 0.00 175.10 175.07 1m8c s ASP 7 N -0.02 5.21 -0.30 3.32 -1.08 -1.26 -5.00 116.67 117.53 1m8c s ASP 7 Ca -0.02 0.09 0.13 0.00 -0.52 0.00 0.00 52.55 52.23 1m8c s ASP 7 Cb -0.14 -1.58 0.47 0.00 -1.46 0.00 0.00 42.92 40.21 1m8c s ASP 7 CO 0.04 0.32 1.13 0.00 0.52 0.00 0.00 175.17 177.18 1m8c h SER 9 N 2.45 0.00 -2.13 0.00 0.87 -2.04 -3.38 113.55 109.32 1m8c h SER 9 Ca 0.14 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 60.16 1m8c h SER 9 Cb 1.34 0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 62.89 1m8c h SER 9 CO 0.55 0.53 -0.91 -1.84 -0.53 0.00 0.00 176.83 174.63 1m8c n GLU 10 N -2.96 1.99 -3.08 2.24 0.28 -1.26 -4.96 120.64 112.89 1m8c n GLU 10 Ca -0.06 -4.08 0.02 0.00 -0.16 0.00 0.00 57.16 52.88 1m8c n GLU 10 Cb 0.80 -1.92 -0.00 0.00 1.43 0.00 0.00 31.44 31.74 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 -2.72 -1.30 0.18 -1.84 2.02 -1.26 -5.10 117.35 107.33 1m8c s TYR 11 Ca 0.43 0.28 -0.30 0.00 -0.37 0.00 0.00 57.07 57.11 1m8c s TYR 11 Cb 0.28 0.24 -0.08 0.00 -0.40 0.00 0.00 41.96 42.00 1m8c s TYR 11 CO -0.10 -0.86 1.12 -1.25 -1.57 0.00 0.00 175.55 172.88 1m8c s PRO 12 N 2.02 4.58 0.51 -1.71 0.04 -1.26 -4.89 135.00 134.29 1m8c s PRO 12 Ca 0.16 1.75 0.32 0.00 0.04 0.00 0.00 61.00 63.26 1m8c s PRO 12 Cb -0.02 -3.27 1.73 0.00 0.04 0.00 0.00 34.50 32.98 1m8c s PRO 12 CO -0.12 0.05 1.97 1.57 0.04 0.00 0.00 177.00 180.51 1m8c h LYS 13 N 5.06 0.00 0.05 4.56 2.10 -1.99 0.39 116.57 126.75 1m8c h LYS 13 Ca -0.44 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 57.97 1m8c h LYS 13 Cb 1.21 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.53 1m8c h LYS 13 CO 0.72 0.00 -1.06 -0.44 -2.00 0.00 0.00 179.45 176.67 1m8c h ASP 14 N 0.00 0.25 0.00 7.07 5.19 -2.02 -3.42 116.42 123.49 1m8c h ASP 14 Ca 0.00 -0.25 0.00 0.00 -0.62 0.00 0.00 57.03 56.16 1m8c h ASP 14 Cb 0.13 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.56 1m8c h ASP 14 CO 0.00 1.15 0.00 0.00 -3.12 0.00 0.00 179.24 177.27 1m8c n ALA 15 N -2.46 0.00 -3.29 3.45 0.00 0.14 -4.96 120.51 113.39 1m8c n ALA 15 Ca -0.04 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.21 1m8c n ALA 15 Cb 0.93 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.40 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 0.53 0.00 -0.40 0.00 -1.04 -1.26 -4.79 114.28 107.31 1m8c n THR 17 Ca -0.03 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.96 1m8c n THR 17 Cb 0.55 0.00 0.23 0.00 -1.82 0.00 0.00 70.33 69.30 1m8c n THR 17 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1m8c n LEU 18 N 0.00 4.74 -4.56 -4.42 -0.00 -1.26 -4.89 117.00 106.61 1m8c n LEU 18 Ca 0.00 -2.44 -0.39 0.00 -0.00 0.00 0.00 56.01 53.18 1m8c n LEU 18 Cb 0.00 -0.67 -0.03 0.00 -0.00 0.00 0.00 43.42 42.73 1m8c n LEU 18 CO 0.00 0.63 1.70 -1.61 -0.00 0.00 0.00 177.39 178.11 1m8c s GLU 19 N -2.26 2.62 -0.26 1.96 8.01 -1.26 -4.94 118.70 122.57 1m8c s GLU 19 Ca 0.39 0.95 -0.16 0.00 0.01 0.00 0.00 54.97 56.15 1m8c s GLU 19 Cb 0.31 -4.40 -0.03 0.00 -4.31 0.00 0.00 34.13 25.69 1m8c s GLU 19 CO 0.10 -2.71 0.43 -0.47 0.01 0.00 0.00 175.26 172.62 1m8c s TYR 20 N 9.45 3.26 -0.21 1.61 5.04 -1.26 -4.67 117.35 130.57 1m8c s TYR 20 Ca 0.77 0.51 -0.04 0.00 -2.44 0.00 0.00 57.07 55.87 1m8c s TYR 20 Cb -0.16 -2.63 0.09 0.00 0.35 0.00 0.00 41.96 39.61 1m8c s TYR 20 CO 0.24 -0.25 0.18 1.03 -1.34 0.00 0.00 175.55 175.42 1m8c s ARG 21 N 2.16 0.17 0.16 4.97 1.81 0.13 -4.96 118.95 123.39 1m8c s ARG 21 Ca 0.18 0.03 -0.30 0.00 -1.72 0.00 0.00 55.73 53.91 1m8c s ARG 21 Cb -0.16 -1.33 -0.07 0.00 -0.45 0.00 0.00 34.95 32.95 1m8c s ARG 21 CO 0.10 -0.73 1.13 -1.25 -0.68 0.00 0.00 175.30 173.87 1m8c s PRO 22 N 2.26 4.55 0.15 3.54 0.04 -1.26 -1.14 135.00 143.14 1m8c s PRO 22 Ca 0.06 1.74 -0.03 0.00 0.04 0.00 0.00 61.00 62.81 1m8c s PRO 22 Cb -0.16 -3.29 -0.03 0.00 0.04 0.00 0.00 34.50 31.07 1m8c s PRO 22 CO -0.15 -0.01 0.14 -0.51 0.04 0.00 0.00 177.00 176.51 1m8c s LEU 23 N -0.10 1.44 -0.00 -3.56 1.02 0.06 -0.64 118.68 116.90 1m8c s LEU 23 Ca 0.51 -1.14 0.06 0.00 0.02 0.00 0.00 54.13 53.58 1m8c s LEU 23 Cb -0.30 0.58 -0.02 0.00 0.02 0.00 0.00 46.19 46.48 1m8c s LEU 23 CO 0.34 -0.80 -0.18 0.00 0.02 0.00 0.00 176.35 175.73 1m8c s GLY 25 N -0.60 2.02 0.41 0.00 0.00 0.13 0.16 107.32 109.45 1m8c s GLY 25 Ca 0.07 -1.77 0.29 0.00 0.00 0.00 0.00 44.72 43.31 1m8c s GLY 25 CO -0.00 -1.60 1.87 0.23 0.00 0.00 0.00 173.10 173.60 1m8c h SER 26 N 0.89 0.00 -0.65 1.64 0.87 -1.43 -0.19 113.55 114.68 1m8c h SER 26 Ca -0.41 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1m8c h SER 26 Cb 1.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1m8c h SER 26 CO 0.53 0.00 0.00 -0.90 -0.53 0.00 0.00 176.83 175.93 1m8c n ASP 27 N -2.62 4.06 -0.99 6.23 5.75 -1.26 -4.89 116.55 122.82 1m8c n ASP 27 Ca 0.01 -2.19 -0.08 0.00 -0.01 0.00 0.00 54.79 52.51 1m8c n ASP 27 Cb 0.22 -0.51 -0.00 0.00 -1.03 0.00 0.00 41.12 39.80 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 1.30 -3.00 -4.69 -1.12 5.15 -0.08 -4.99 115.26 107.83 1m8c n ASN 28 Ca 0.24 -0.02 -0.41 0.00 -0.60 0.00 0.00 54.58 53.79 1m8c n ASN 28 Cb 0.70 -2.26 -0.04 0.00 -0.53 0.00 0.00 39.78 37.65 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 -4.48 4.34 -0.53 1.20 -0.14 -1.24 -4.77 119.74 114.12 1m8c s LYS 29 Ca 0.01 0.93 -0.18 0.00 -1.36 0.00 0.00 55.97 55.38 1m8c s LYS 29 Cb -0.01 -3.53 0.08 0.00 -1.68 0.00 0.00 37.83 32.70 1m8c s LYS 29 CO 0.02 -0.17 0.59 0.99 -0.76 0.00 0.00 175.35 176.02 1m8c s THR 30 N 1.61 4.96 0.50 2.17 2.01 -1.26 0.23 115.64 125.86 1m8c s THR 30 Ca 0.37 -0.84 -0.06 0.00 0.31 0.00 0.00 61.69 61.48 1m8c s THR 30 Cb -0.17 -4.32 -0.03 0.00 0.01 0.00 0.00 72.50 67.99 1m8c s THR 30 CO 0.15 -0.86 0.81 -0.31 -0.69 0.00 0.00 174.62 173.72 1m8c s TYR 31 N 2.35 3.53 0.00 4.92 2.02 0.12 -4.89 117.35 125.40 1m8c s TYR 31 Ca 0.11 0.82 0.00 0.00 -0.37 0.00 0.00 57.07 57.62 1m8c s TYR 31 Cb -0.23 -2.38 0.00 0.00 -0.40 0.00 0.00 41.96 38.95 1m8c s TYR 31 CO 0.08 -0.37 0.34 0.41 -1.57 0.00 0.00 175.55 174.44 1m8c n GLY 32 N -2.33 -0.68 3.46 0.71 0.00 -1.25 -1.56 105.19 103.54 1m8c n GLY 32 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.20 -0.50 0.09 1.61 -0.87 -0.29 0.18 114.94 114.95 1m8c s ASN 33 Ca 0.00 0.05 -0.16 0.00 -1.57 0.00 0.00 52.86 51.18 1m8c s ASN 33 Cb 0.00 0.52 -0.09 0.00 -0.02 0.00 0.00 41.25 41.65 1m8c s ASN 33 CO 0.00 -0.81 1.42 0.11 -2.57 0.00 0.00 177.10 175.25 1m8c h LYS 34 N 2.07 0.60 -0.70 -0.60 1.79 -1.83 -0.70 116.57 117.20 1m8c h LYS 34 Ca -0.29 -0.30 -0.01 0.00 -2.18 0.00 0.00 60.65 57.87 1m8c h LYS 34 Cb 1.27 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.89 1m8c h LYS 34 CO 0.35 0.89 0.39 0.00 -1.08 0.00 0.00 179.45 180.00 1m8c h ASN 36 N 0.98 0.67 -0.04 0.00 2.35 -1.90 0.11 115.58 117.75 1m8c h ASN 36 Ca 0.25 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1m8c h ASN 36 Cb 0.02 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.21 1m8c h ASN 36 CO -0.04 0.85 -0.01 0.15 -1.65 0.00 0.00 177.43 176.72 1m8c h PHE 37 N 0.61 0.09 -0.10 1.19 3.04 0.28 -1.98 116.94 120.08 1m8c h PHE 37 Ca 0.10 -0.02 -0.05 0.00 3.98 0.00 0.00 57.97 61.98 1m8c h PHE 37 Cb 0.62 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.10 1m8c h PHE 37 CO 0.03 0.44 -0.15 0.00 -2.02 0.00 0.00 178.31 176.61 1m8c h ASN 39 N 0.15 0.63 0.17 0.00 -1.24 -0.55 0.41 115.58 115.15 1m8c h ASN 39 Ca 0.03 -0.09 -0.20 0.00 0.71 0.00 0.00 56.30 56.75 1m8c h ASN 39 Cb 0.36 -0.16 -0.00 0.00 0.73 0.00 0.00 38.32 39.25 1m8c h ASN 39 CO 0.02 0.54 -0.76 0.00 -1.29 0.00 0.00 177.43 175.95 1m8c h ALA 40 N 1.12 0.51 -0.17 1.57 0.00 -0.59 -2.38 119.26 119.32 1m8c h ALA 40 Ca 0.18 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1m8c h ALA 40 Cb 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1m8c h ALA 40 CO -0.03 0.75 0.10 0.28 0.00 0.00 0.00 179.25 180.35 1m8c h VAL 41 N 0.33 1.09 -0.24 0.00 2.07 -0.10 0.56 116.25 119.96 1m8c h VAL 41 Ca -0.04 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1m8c h VAL 41 Cb 1.35 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 1m8c h VAL 41 CO 0.14 0.08 0.08 1.62 0.02 0.00 0.00 177.57 179.50 1m8c h VAL 42 N 0.19 1.11 0.00 2.57 3.04 -0.19 1.04 116.25 124.01 1m8c h VAL 42 Ca 0.06 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 1m8c h VAL 42 Cb 0.04 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 30.17 1m8c h VAL 42 CO -0.01 0.13 0.00 -0.08 -1.01 0.00 0.00 177.57 176.60 1m8c h GLU 43 N 0.33 0.00 -0.57 4.17 4.81 -0.76 -2.73 114.58 119.83 1m8c h GLU 43 Ca 0.08 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 1m8c h GLU 43 Cb 0.10 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 1m8c h GLU 43 CO -0.01 0.00 0.08 -1.13 -0.73 0.00 0.00 179.01 177.22 1m8c n SER 44 N -2.62 5.12 -0.02 1.04 3.41 0.39 -4.87 113.62 116.08 1m8c n SER 44 Ca 0.03 -3.06 -0.00 0.00 -0.26 0.00 0.00 58.87 55.58 1m8c n SER 44 Cb 0.38 -0.68 -0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1m8c n SER 44 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1m8c n ASN 45 N 0.17 -4.79 0.00 4.04 4.13 -1.03 -1.28 115.26 116.51 1m8c n ASN 45 Ca 0.31 0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.58 1m8c n ASN 45 Cb 1.21 -2.31 0.00 0.00 -1.54 0.00 0.00 39.78 37.14 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 -0.63 0.49 0.11 7.41 0.00 0.33 -4.95 105.19 107.95 1m8c n GLY 46 Ca -0.00 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 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 1.16 -1.68 2.61 1.35 -1.32 -3.47 112.91 111.56 1m8c h THR 47 Ca 0.00 -2.32 -0.58 0.00 -0.55 0.00 0.00 66.41 62.96 1m8c h THR 47 Cb 0.00 2.70 0.16 0.00 -1.73 0.00 0.00 68.15 69.28 1m8c h THR 47 CO 0.00 0.56 -0.96 -0.11 -0.25 0.00 0.00 175.52 174.76 1m8c n LEU 48 N -4.23 -2.95 -4.46 3.87 7.94 -1.26 -4.98 117.00 110.93 1m8c n LEU 48 Ca -0.24 0.72 -0.23 0.00 -1.11 0.00 0.00 56.01 55.15 1m8c n LEU 48 Cb 0.74 -0.82 -0.09 0.00 0.53 0.00 0.00 43.42 43.78 1m8c n LEU 48 CO 0.32 -4.14 -0.22 0.42 -1.11 0.00 0.00 177.39 172.67 1m8c s THR 49 N -1.68 0.71 -0.43 1.96 -4.23 -1.26 -4.94 115.64 105.77 1m8c s THR 49 Ca 0.55 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.94 1m8c s THR 49 Cb -0.56 -2.50 0.07 0.00 1.34 0.00 0.00 72.50 70.85 1m8c s THR 49 CO 0.60 0.00 0.31 -0.22 -0.54 0.00 0.00 174.62 174.77 1m8c s LEU 50 N -3.53 5.29 0.22 4.79 2.96 -1.26 -1.13 118.68 126.02 1m8c s LEU 50 Ca 0.29 -1.36 -0.08 0.00 -0.22 0.00 0.00 54.13 52.76 1m8c s LEU 50 Cb 0.05 -2.07 0.22 0.00 0.50 0.00 0.00 46.19 44.88 1m8c s LEU 50 CO 0.15 -0.56 1.88 0.28 -1.32 0.00 0.00 176.35 176.78 1m8c h SER 51 N 8.55 0.90 -5.71 3.68 0.02 -0.38 -3.45 113.55 117.16 1m8c h SER 51 Ca -0.25 -0.01 0.29 0.00 -0.84 0.00 0.00 61.79 60.97 1m8c h SER 51 Cb 1.10 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 63.37 1m8c h SER 51 CO 0.79 0.63 0.81 -1.38 -1.14 0.00 0.00 176.83 176.54 1m8c s HIS 52 N -6.12 0.04 0.86 3.45 0.00 -1.12 -4.99 115.29 107.41 1m8c s HIS 52 Ca -0.13 -0.24 -0.10 0.00 -3.00 0.00 0.00 55.06 51.59 1m8c s HIS 52 Cb 0.16 0.60 0.19 0.00 -4.00 0.00 0.00 32.58 29.53 1m8c s HIS 52 CO 0.79 -0.47 1.17 1.19 -1.00 0.00 0.00 174.74 176.42 1m8c n PHE 53 N -0.83 -3.58 -3.99 0.38 3.01 -1.26 -1.17 117.46 110.01 1m8c n PHE 53 Ca 0.01 -1.38 0.00 0.00 1.01 0.00 0.00 57.45 57.10 1m8c n PHE 53 Cb 0.59 -0.89 0.00 0.00 -0.01 0.00 0.00 39.48 39.17 1m8c n PHE 53 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1m8c n GLY 54 N -3.08 0.41 3.76 1.37 0.00 0.18 -4.38 105.19 103.45 1m8c n GLY 54 Ca 0.16 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 1m8c n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m8c s LYS 55 N 0.00 1.63 0.00 1.61 -2.85 -1.26 -0.76 119.74 118.10 1m8c s LYS 55 Ca 0.00 0.70 0.27 0.00 -1.00 0.00 0.00 55.97 55.95 1m8c s LYS 55 Cb 0.00 -1.86 0.92 0.00 -2.06 0.00 0.00 37.83 34.83 1m8c s LYS 55 CO 0.00 -1.96 1.67 0.00 0.10 0.00 0.00 175.35 175.17