#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tur s ALA 2 N 0.00 2.65 0.35 -1.18 0.00 -1.26 -4.97 121.76 117.35 1tur s ALA 2 Ca 0.00 -1.53 0.09 0.00 0.00 0.00 0.00 51.96 50.51 1tur s ALA 2 Cb 0.00 -4.34 -0.05 0.00 0.00 0.00 0.00 23.12 18.73 1tur s ALA 2 CO 0.00 -3.48 0.05 0.00 0.00 0.00 0.00 175.76 172.33 1tur s ALA 3 N 6.00 3.28 -0.04 0.00 0.00 -1.26 -5.14 121.76 124.61 1tur s ALA 3 Ca 0.42 -1.97 0.00 0.00 0.00 0.00 0.00 51.96 50.41 1tur s ALA 3 Cb -0.06 -0.41 0.03 0.00 0.00 0.00 0.00 23.12 22.67 1tur s ALA 3 CO 0.09 0.03 -0.01 0.14 0.00 0.00 0.00 175.76 176.02 1tur s VAL 4 N -2.52 0.26 -0.30 0.00 -7.23 -1.26 -5.13 120.40 104.22 1tur s VAL 4 Ca 0.36 0.06 -0.16 0.00 -1.81 0.00 0.00 61.98 60.43 1tur s VAL 4 Cb 0.00 -0.35 0.19 0.00 0.56 0.00 0.00 36.38 36.79 1tur s VAL 4 CO 0.20 0.17 1.19 -0.44 -0.31 0.00 0.00 175.10 175.92 1tur s SER 5 N 1.15 -0.17 0.30 4.85 0.01 -1.26 -4.31 113.70 114.27 1tur s SER 5 Ca -0.08 0.27 -0.12 0.00 1.31 0.00 0.00 55.95 57.33 1tur s SER 5 Cb -0.13 1.05 -0.08 0.00 0.21 0.00 0.00 66.02 67.07 1tur s SER 5 CO -0.02 -0.04 0.67 0.68 0.41 0.00 0.00 173.24 174.94 1tur s VAL 6 N 1.09 4.80 0.19 3.43 -7.23 -1.26 -5.05 120.40 116.37 1tur s VAL 6 Ca -0.08 0.69 -0.30 0.00 -1.81 0.00 0.00 61.98 60.48 1tur s VAL 6 Cb -0.03 -3.64 -0.08 0.00 0.56 0.00 0.00 36.38 33.20 1tur s VAL 6 CO -0.11 -0.20 0.97 -1.81 -0.31 0.00 0.00 175.10 173.64 1tur s ASP 7 N -2.48 7.54 -0.01 4.85 1.11 -1.26 -4.95 116.67 121.47 1tur s ASP 7 Ca 0.51 1.93 0.01 0.00 0.18 0.00 0.00 52.55 55.17 1tur s ASP 7 Cb -0.11 -2.60 0.01 0.00 1.07 0.00 0.00 42.92 41.29 1tur s ASP 7 CO 0.21 0.02 0.83 0.00 1.18 0.00 0.00 175.17 177.42 1tur h SER 9 N 0.00 0.00 -0.75 0.00 0.02 -1.96 -3.28 113.55 107.59 1tur h SER 9 Ca 0.00 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 1tur h SER 9 Cb 1.22 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 63.47 1tur h SER 9 CO 0.00 0.02 0.08 -0.62 -1.14 0.00 0.00 176.83 175.17 1tur n GLU 10 N -3.60 2.70 -4.10 3.45 4.71 -1.26 -5.00 120.64 117.54 1tur n GLU 10 Ca -0.03 -3.51 -0.14 0.00 -0.01 0.00 0.00 57.16 53.48 1tur n GLU 10 Cb 0.12 -2.15 -0.11 0.00 -1.01 0.00 0.00 31.44 28.28 1tur n GLU 10 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 1tur s TYR 11 N -3.56 0.82 0.40 -0.32 1.51 -1.24 -4.55 117.35 110.43 1tur s TYR 11 Ca 0.55 -0.55 0.01 0.00 -1.01 0.00 0.00 57.07 56.06 1tur s TYR 11 Cb 0.45 -0.48 -0.01 0.00 -0.11 0.00 0.00 41.96 41.81 1tur s TYR 11 CO 0.02 -0.06 0.61 -1.25 -1.11 0.00 0.00 175.55 173.76 1tur s PRO 12 N -1.98 3.22 0.48 -1.71 0.04 -1.26 -4.88 135.00 128.92 1tur s PRO 12 Ca -0.05 -0.48 0.03 0.00 0.04 0.00 0.00 61.00 60.55 1tur s PRO 12 Cb -0.08 -2.62 0.02 0.00 0.04 0.00 0.00 34.50 31.86 1tur s PRO 12 CO 0.00 -0.09 0.68 0.15 0.04 0.00 0.00 177.00 177.78 1tur s LYS 13 N -4.44 2.75 0.11 4.56 1.02 -1.26 -5.03 119.74 117.45 1tur s LYS 13 Ca 0.45 -0.86 0.17 0.00 0.02 0.00 0.00 55.97 55.75 1tur s LYS 13 Cb -0.10 -2.59 -0.09 0.00 -0.52 0.00 0.00 37.83 34.53 1tur s LYS 13 CO 0.37 -0.46 0.94 -1.00 -0.92 0.00 0.00 175.35 174.27 1tur h PRO 14 N 0.33 0.00 -2.84 -1.68 0.14 -2.02 -3.49 132.00 122.44 1tur h PRO 14 Ca -0.43 0.00 -0.11 0.00 0.14 0.00 0.00 66.00 65.61 1tur h PRO 14 Cb 1.28 0.00 -0.20 0.00 0.14 0.00 0.00 31.00 32.22 1tur h PRO 14 CO 0.51 0.29 -0.19 0.00 0.14 0.00 0.00 178.00 178.76 1tur s ALA 15 N -2.97 -0.97 -0.04 -0.56 0.00 -1.26 -5.17 121.76 110.80 1tur s ALA 15 Ca -0.02 0.51 0.03 0.00 0.00 0.00 0.00 51.96 52.48 1tur s ALA 15 Cb 0.09 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.27 1tur s ALA 15 CO 0.80 -0.28 -0.13 0.00 0.00 0.00 0.00 175.76 176.15 1tur s THR 17 N 0.26 2.25 -0.40 0.00 -4.23 -1.26 -4.88 115.64 107.37 1tur s THR 17 Ca -0.06 0.22 0.08 0.00 -1.18 0.00 0.00 61.69 60.75 1tur s THR 17 Cb -0.11 -3.14 0.59 0.00 1.34 0.00 0.00 72.50 71.17 1tur s THR 17 CO 0.02 0.04 1.51 0.00 -0.54 0.00 0.00 174.62 175.65 1tur n LEU 18 N 1.70 4.94 -4.76 4.79 -0.00 -1.26 -4.84 117.00 117.56 1tur n LEU 18 Ca 0.05 -2.54 -0.41 0.00 -0.00 0.00 0.00 56.01 53.11 1tur n LEU 18 Cb 0.39 -0.67 -0.01 0.00 -0.00 0.00 0.00 43.42 43.12 1tur n LEU 18 CO 0.63 0.64 1.19 -1.61 -0.00 0.00 0.00 177.39 178.24 1tur s GLU 19 N -2.37 4.12 -0.33 1.47 8.01 -1.26 -4.96 118.70 123.38 1tur s GLU 19 Ca 0.42 2.57 -0.08 0.00 0.01 0.00 0.00 54.97 57.89 1tur s GLU 19 Cb 0.33 -3.00 0.02 0.00 -4.31 0.00 0.00 34.13 27.17 1tur s GLU 19 CO 0.11 -0.58 0.12 -0.47 0.01 0.00 0.00 175.26 174.45 1tur s TYR 20 N -0.57 3.21 -0.41 1.61 5.04 -1.26 -4.77 117.35 120.20 1tur s TYR 20 Ca 0.58 -1.14 0.08 0.00 -2.44 0.00 0.00 57.07 54.14 1tur s TYR 20 Cb -0.47 -2.31 0.26 0.00 0.35 0.00 0.00 41.96 39.79 1tur s TYR 20 CO 0.55 -0.65 0.64 0.54 -1.34 0.00 0.00 175.55 175.30 1tur n ARG 21 N 4.88 0.76 -1.61 4.97 5.12 -0.93 -5.05 116.66 124.80 1tur n ARG 21 Ca -0.13 -2.84 -0.37 0.00 -1.93 0.00 0.00 57.85 52.58 1tur n ARG 21 Cb 0.46 -1.31 0.07 0.00 -1.16 0.00 0.00 32.46 30.52 1tur n ARG 21 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1tur n PRO 22 N 1.34 0.90 -3.71 5.56 -0.05 -0.65 -3.97 135.00 134.42 1tur n PRO 22 Ca 0.18 0.36 -0.28 0.00 -0.05 0.00 0.00 63.50 63.71 1tur n PRO 22 Cb 0.57 -2.36 -0.16 0.00 -0.05 0.00 0.00 33.50 31.49 1tur n PRO 22 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 1tur s LEU 23 N -3.49 1.23 0.22 1.53 1.02 0.29 0.92 118.68 120.38 1tur s LEU 23 Ca 0.79 -0.97 -0.30 0.00 0.02 0.00 0.00 54.13 53.68 1tur s LEU 23 Cb -0.38 -0.59 -0.08 0.00 0.02 0.00 0.00 46.19 45.15 1tur s LEU 23 CO 0.44 -0.34 0.93 0.00 0.02 0.00 0.00 176.35 177.40 1tur n GLY 25 N 1.60 1.16 0.18 0.00 0.00 -0.95 -2.38 105.19 104.81 1tur n GLY 25 Ca -0.02 -2.01 0.07 0.00 0.00 0.00 0.00 46.02 44.07 1tur n GLY 25 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1tur h SER 26 N 0.00 0.00 0.41 1.61 0.87 -1.43 -2.08 113.55 112.93 1tur h SER 26 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1tur h SER 26 Cb 0.00 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1tur h SER 26 CO 0.00 0.31 -0.08 -2.24 -0.53 0.00 0.00 176.83 174.29 1tur h ASP 27 N 0.00 0.00 -1.17 6.23 2.03 -1.94 -3.46 116.42 118.11 1tur h ASP 27 Ca -0.00 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.12 1tur h ASP 27 Cb 1.08 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.56 1tur h ASP 27 CO 0.04 0.08 -0.22 0.59 -1.03 0.00 0.00 179.24 178.70 1tur n ASN 28 N -3.46 -3.25 -4.48 4.15 3.02 -0.78 -5.04 115.26 105.42 1tur n ASN 28 Ca -0.02 0.02 -0.26 0.00 -0.03 0.00 0.00 54.58 54.29 1tur n ASN 28 Cb 0.22 -2.41 -0.11 0.00 -0.61 0.00 0.00 39.78 36.88 1tur n ASN 28 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1tur s LYS 29 N -4.23 1.74 0.09 3.52 2.36 -1.26 -4.86 119.74 117.09 1tur s LYS 29 Ca 0.00 -1.49 -0.18 0.00 -2.55 0.00 0.00 55.97 51.75 1tur s LYS 29 Cb 0.00 -1.94 -0.07 0.00 -1.05 0.00 0.00 37.83 34.78 1tur s LYS 29 CO 0.00 0.40 0.57 0.99 1.55 0.00 0.00 175.35 178.85 1tur s THR 30 N -1.85 4.76 -0.12 3.43 2.01 -1.26 -2.25 115.64 120.36 1tur s THR 30 Ca 0.24 1.14 0.02 0.00 0.31 0.00 0.00 61.69 63.40 1tur s THR 30 Cb -0.08 -3.86 -0.01 0.00 0.01 0.00 0.00 72.50 68.57 1tur s THR 30 CO 0.13 0.49 -0.19 -0.31 -0.69 0.00 0.00 174.62 174.04 1tur s TYR 31 N -1.19 2.68 0.52 4.92 2.02 -0.64 -4.97 117.35 120.68 1tur s TYR 31 Ca 0.31 -0.89 0.17 0.00 -0.37 0.00 0.00 57.07 56.30 1tur s TYR 31 Cb -0.18 -1.77 1.30 0.00 -0.40 0.00 0.00 41.96 40.90 1tur s TYR 31 CO 0.19 -0.34 2.15 0.78 -1.57 0.00 0.00 175.55 176.76 1tur h GLY 32 N 6.74 0.00 -0.25 0.71 0.00 -1.88 0.83 103.07 109.23 1tur h GLY 32 Ca -0.23 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.12 1tur h GLY 32 CO 0.51 0.00 0.09 1.16 0.00 0.00 0.00 176.54 178.30 1tur n ASN 33 N -4.50 -0.39 0.20 0.19 6.94 -1.25 -1.64 115.26 114.82 1tur n ASN 33 Ca -0.02 -1.23 0.15 0.00 -0.02 0.00 0.00 54.58 53.45 1tur n ASN 33 Cb 0.12 0.64 0.66 0.00 -2.36 0.00 0.00 39.78 38.84 1tur n ASN 33 CO 0.00 0.00 0.00 0.07 -1.03 0.00 0.00 177.26 176.30 1tur h LYS 34 N 0.00 0.00 0.31 -3.83 5.09 -1.88 0.12 116.57 116.38 1tur h LYS 34 Ca -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.67 1tur h LYS 34 Cb 0.24 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.57 1tur h LYS 34 CO 0.08 0.00 -0.15 0.00 -2.09 0.00 0.00 179.45 177.29 1tur h ASN 36 N -1.04 0.00 0.75 0.00 2.35 -1.87 0.46 115.58 116.23 1tur h ASN 36 Ca -0.04 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.67 1tur h ASN 36 Cb 0.32 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.70 1tur h ASN 36 CO 0.07 0.30 -0.36 0.15 -1.65 0.00 0.00 177.43 175.94 1tur h PHE 37 N 0.00 -0.93 0.00 1.19 3.57 -0.86 -2.48 116.94 117.42 1tur h PHE 37 Ca -0.00 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 1tur h PHE 37 Cb 1.01 0.31 -0.00 0.00 2.79 0.00 0.00 35.95 40.06 1tur h PHE 37 CO 0.00 -0.56 -0.07 0.00 -2.23 0.00 0.00 178.31 175.45 1tur h ASN 39 N 0.00 -0.18 0.73 0.00 2.35 -0.98 -0.71 115.58 116.79 1tur h ASN 39 Ca -0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1tur h ASN 39 Cb 0.84 0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.25 1tur h ASN 39 CO 0.01 -0.04 0.00 0.00 -1.65 0.00 0.00 177.43 175.75 1tur n ALA 40 N -2.23 1.73 -0.08 -0.83 0.00 -0.20 -1.14 120.51 117.76 1tur n ALA 40 Ca -0.09 0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.24 1tur n ALA 40 Cb 0.14 -1.35 -0.10 0.00 0.00 0.00 0.00 19.45 18.14 1tur n ALA 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1tur h VAL 41 N 0.00 1.19 0.00 0.00 2.07 -1.02 -2.18 116.25 116.30 1tur h VAL 41 Ca 0.00 -2.05 -0.07 0.00 0.82 0.00 0.00 66.70 65.41 1tur h VAL 41 Cb 0.36 2.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 1tur h VAL 41 CO 0.00 0.40 -0.32 1.62 0.02 0.00 0.00 177.57 179.29 1tur h VAL 42 N -1.00 0.71 -0.24 2.57 3.04 -0.90 0.28 116.25 120.71 1tur h VAL 42 Ca -0.11 -1.46 -0.15 0.00 -1.01 0.00 0.00 66.70 63.97 1tur h VAL 42 Cb 0.95 1.95 0.00 0.00 -2.01 0.00 0.00 31.29 32.18 1tur h VAL 42 CO -0.07 0.32 -0.42 -0.33 -1.01 0.00 0.00 177.57 176.05 1tur h GLU 43 N 0.00 0.71 -0.01 4.17 4.39 -1.30 -3.13 114.58 119.41 1tur h GLU 43 Ca -0.00 -0.44 0.00 0.00 0.34 0.00 0.00 59.36 59.26 1tur h GLU 43 Cb 0.93 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.63 1tur h GLU 43 CO 0.04 1.07 0.01 1.03 -1.16 0.00 0.00 179.01 180.00 1tur h SER 44 N 0.43 0.00 -1.54 1.42 0.87 -0.20 -3.45 113.55 111.08 1tur h SER 44 Ca 0.01 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.52 1tur h SER 44 Cb 1.02 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.00 1tur h SER 44 CO 0.10 0.00 -0.09 -0.46 -0.53 0.00 0.00 176.83 175.85 1tur n ASN 45 N -3.72 -2.50 0.00 6.23 6.94 0.76 -3.69 115.26 119.28 1tur n ASN 45 Ca -0.03 -0.06 0.00 0.00 -0.02 0.00 0.00 54.58 54.47 1tur n ASN 45 Cb 0.09 -1.08 0.00 0.00 -2.36 0.00 0.00 39.78 36.43 1tur n ASN 45 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1tur n GLY 46 N -0.72 2.88 0.10 4.83 0.00 -1.08 -4.94 105.19 106.26 1tur n GLY 46 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 1tur n GLY 46 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1tur h THR 47 N 0.00 1.23 -3.90 2.61 1.35 -1.80 -3.44 112.91 108.97 1tur h THR 47 Ca 0.00 -2.90 -0.50 0.00 -0.55 0.00 0.00 66.41 62.45 1tur h THR 47 Cb 0.00 2.75 0.04 0.00 -1.73 0.00 0.00 68.15 69.21 1tur h THR 47 CO 0.00 0.81 0.50 -0.22 -0.25 0.00 0.00 175.52 176.36 1tur s LEU 48 N -6.86 4.32 0.25 3.87 2.96 -1.26 -5.02 118.68 116.92 1tur s LEU 48 Ca -0.07 2.32 -0.11 0.00 -0.22 0.00 0.00 54.13 56.05 1tur s LEU 48 Cb 0.07 -3.89 -0.01 0.00 0.50 0.00 0.00 46.19 42.87 1tur s LEU 48 CO 0.85 -0.48 0.45 0.42 -1.32 0.00 0.00 176.35 176.27 1tur s THR 49 N -1.34 0.00 -0.35 3.68 -4.23 -1.26 -4.86 115.64 107.27 1tur s THR 49 Ca 0.52 -1.47 -0.16 0.00 -1.18 0.00 0.00 61.69 59.41 1tur s THR 49 Cb -0.31 -2.25 -0.01 0.00 1.34 0.00 0.00 72.50 71.27 1tur s THR 49 CO 0.39 0.00 0.40 -0.22 -0.54 0.00 0.00 174.62 174.66 1tur s LEU 50 N -3.04 4.46 -0.05 4.79 2.96 -1.26 -1.06 118.68 125.48 1tur s LEU 50 Ca 0.24 -0.23 -0.20 0.00 -0.22 0.00 0.00 54.13 53.72 1tur s LEU 50 Cb 0.00 -2.40 -0.31 0.00 0.50 0.00 0.00 46.19 43.98 1tur s LEU 50 CO 0.10 -0.39 0.83 -1.28 -1.32 0.00 0.00 176.35 174.28 1tur h SER 51 N 8.49 0.48 -5.00 3.68 0.87 -1.63 -3.43 113.55 117.00 1tur h SER 51 Ca -0.29 -0.93 -0.06 0.00 -1.23 0.00 0.00 61.79 59.28 1tur h SER 51 Cb 1.14 -0.15 -0.18 0.00 -0.44 0.00 0.00 62.40 62.76 1tur h SER 51 CO 0.72 1.46 0.15 -1.38 -0.53 0.00 0.00 176.83 177.25 1tur s HIS 52 N -2.45 -0.60 1.02 2.24 0.00 -1.23 -4.95 115.29 109.32 1tur s HIS 52 Ca -0.15 0.96 -0.11 0.00 -3.00 0.00 0.00 55.06 52.76 1tur s HIS 52 Cb 0.02 0.40 0.20 0.00 -4.00 0.00 0.00 32.58 29.20 1tur s HIS 52 CO 0.82 -0.62 1.08 -0.06 -1.00 0.00 0.00 174.74 174.97 1tur s PHE 53 N -1.50 1.64 0.01 0.38 0.40 -1.26 -2.19 117.98 115.46 1tur s PHE 53 Ca -0.10 1.43 0.00 0.00 -0.60 0.00 0.00 56.93 57.66 1tur s PHE 53 Cb -0.01 -3.20 0.00 0.00 0.51 0.00 0.00 43.02 40.33 1tur s PHE 53 CO 0.07 -3.19 0.00 0.41 0.70 0.00 0.00 175.22 173.21 1tur n GLY 54 N 0.20 -1.76 3.94 4.36 0.00 0.26 -4.60 105.19 107.60 1tur n GLY 54 Ca 0.07 -1.30 -0.24 0.00 0.00 0.00 0.00 46.02 44.56 1tur n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tur s LYS 55 N -0.15 3.34 0.00 1.61 0.00 -1.25 -1.91 119.74 121.37 1tur s LYS 55 Ca 0.00 -0.37 0.04 0.00 0.00 0.00 0.00 55.97 55.64 1tur s LYS 55 Cb 0.00 -2.61 0.23 0.00 0.00 0.00 0.00 37.83 35.45 1tur s LYS 55 CO 0.00 -0.01 0.71 0.00 0.00 0.00 0.00 175.35 176.05