#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tur h ALA 2 N 0.00 0.04 -3.86 -1.18 0.00 -2.07 -3.48 119.26 108.72 1tur h ALA 2 Ca 0.00 -0.84 -0.56 0.00 0.00 0.00 0.00 54.91 53.52 1tur h ALA 2 Cb 0.00 0.26 -0.24 0.00 0.00 0.00 0.00 17.79 17.81 1tur h ALA 2 CO 0.00 0.49 -0.83 0.00 0.00 0.00 0.00 179.25 178.91 1tur s ALA 3 N -2.40 1.72 -0.19 0.00 0.00 -1.26 -5.11 121.76 114.52 1tur s ALA 3 Ca -0.18 -1.12 -0.29 0.00 0.00 0.00 0.00 51.96 50.37 1tur s ALA 3 Cb 0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 23.12 22.85 1tur s ALA 3 CO 0.76 0.36 1.13 0.54 0.00 0.00 0.00 175.76 178.55 1tur s VAL 4 N -0.97 4.52 -0.29 0.00 0.11 -1.26 -4.98 120.40 117.54 1tur s VAL 4 Ca 0.06 1.84 0.04 0.00 -2.93 0.00 0.00 61.98 60.99 1tur s VAL 4 Cb -0.09 -4.18 0.18 0.00 -1.53 0.00 0.00 36.38 30.76 1tur s VAL 4 CO 0.03 -0.14 0.51 -0.44 -3.33 0.00 0.00 175.10 171.73 1tur s SER 5 N 1.48 -0.76 0.45 3.54 0.01 -1.26 -4.31 113.70 112.85 1tur s SER 5 Ca 0.49 -0.05 -0.25 0.00 1.31 0.00 0.00 55.95 57.45 1tur s SER 5 Cb -0.18 1.63 -0.08 0.00 0.21 0.00 0.00 66.02 67.60 1tur s SER 5 CO 0.11 -0.32 1.40 -0.69 0.41 0.00 0.00 173.24 174.14 1tur s VAL 6 N 2.71 2.18 0.27 3.43 1.01 -1.26 -4.95 120.40 123.78 1tur s VAL 6 Ca 0.10 0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.94 1tur s VAL 6 Cb -0.11 -3.09 -0.09 0.00 0.00 0.00 0.00 36.38 33.09 1tur s VAL 6 CO -0.28 0.02 1.10 1.51 0.00 0.00 0.00 175.10 177.45 1tur s ASP 7 N -0.61 7.27 -0.05 3.32 1.47 -1.26 -4.96 116.67 121.86 1tur s ASP 7 Ca 0.61 2.26 0.13 0.00 1.18 0.00 0.00 52.55 56.73 1tur s ASP 7 Cb -0.42 -2.62 0.24 0.00 -0.34 0.00 0.00 42.92 39.77 1tur s ASP 7 CO 0.54 -0.15 1.11 0.00 0.68 0.00 0.00 175.17 177.35 1tur h SER 9 N 0.46 0.00 1.77 0.00 0.87 -1.96 -3.33 113.55 111.35 1tur h SER 9 Ca -0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1tur h SER 9 Cb 1.45 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.41 1tur h SER 9 CO 0.03 0.17 0.00 -0.33 -0.53 0.00 0.00 176.83 176.17 1tur h GLU 10 N 0.00 0.00 -6.56 2.24 3.07 -1.98 -3.47 114.58 107.88 1tur h GLU 10 Ca -0.00 0.00 -0.45 0.00 -0.50 0.00 0.00 59.36 58.41 1tur h GLU 10 Cb 0.60 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.53 1tur h GLU 10 CO 0.02 0.00 -0.19 0.71 -1.40 0.00 0.00 179.01 178.15 1tur s TYR 11 N -3.26 3.10 0.35 4.33 2.02 -1.25 -4.71 117.35 117.93 1tur s TYR 11 Ca 0.07 -0.01 0.06 0.00 -0.37 0.00 0.00 57.07 56.81 1tur s TYR 11 Cb 0.07 -2.26 -0.01 0.00 -0.40 0.00 0.00 41.96 39.36 1tur s TYR 11 CO 0.64 -0.30 0.49 -1.25 -1.57 0.00 0.00 175.55 173.56 1tur s PRO 12 N -4.43 3.12 0.37 -1.71 0.05 -1.26 -5.10 135.00 126.05 1tur s PRO 12 Ca 0.49 -0.93 0.07 0.00 0.05 0.00 0.00 61.00 60.68 1tur s PRO 12 Cb -0.10 -2.79 -0.07 0.00 0.05 0.00 0.00 34.50 31.59 1tur s PRO 12 CO 0.35 0.03 -0.01 0.15 0.05 0.00 0.00 177.00 177.57 1tur s LYS 13 N -4.22 1.85 -0.03 4.56 1.02 -1.26 -5.05 119.74 116.61 1tur s LYS 13 Ca 0.45 -2.02 0.15 0.00 0.02 0.00 0.00 55.97 54.57 1tur s LYS 13 Cb -0.10 -1.48 -0.20 0.00 -0.52 0.00 0.00 37.83 35.53 1tur s LYS 13 CO 0.32 -0.03 0.62 -0.35 -0.92 0.00 0.00 175.35 174.99 1tur n PRO 14 N -0.86 0.64 -4.00 -1.68 -0.05 -1.26 -5.03 135.00 122.76 1tur n PRO 14 Ca -0.05 0.20 -0.08 0.00 -0.05 0.00 0.00 63.50 63.53 1tur n PRO 14 Cb 0.66 -1.75 -0.09 0.00 -0.05 0.00 0.00 33.50 32.27 1tur n PRO 14 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1tur s ALA 15 N -2.73 0.22 0.06 0.55 0.00 -1.26 -5.17 121.76 113.42 1tur s ALA 15 Ca -0.05 -0.95 0.06 0.00 0.00 0.00 0.00 51.96 51.02 1tur s ALA 15 Cb 0.08 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 1tur s ALA 15 CO 0.82 -0.40 -0.16 0.00 0.00 0.00 0.00 175.76 176.03 1tur s THR 17 N -1.02 4.18 -0.09 0.00 -4.23 -1.26 -4.99 115.64 108.23 1tur s THR 17 Ca 0.02 1.47 0.14 0.00 -1.18 0.00 0.00 61.69 62.14 1tur s THR 17 Cb -0.09 -3.66 0.21 0.00 1.34 0.00 0.00 72.50 70.30 1tur s THR 17 CO 0.02 -0.18 1.10 0.00 -0.54 0.00 0.00 174.62 175.02 1tur n LEU 18 N -0.40 1.85 -4.68 4.79 -0.00 -1.26 -4.93 117.00 112.37 1tur n LEU 18 Ca 0.06 -2.56 -0.42 0.00 -0.00 0.00 0.00 56.01 53.09 1tur n LEU 18 Cb 0.53 -0.31 -0.03 0.00 -0.00 0.00 0.00 43.42 43.61 1tur n LEU 18 CO 0.40 0.60 0.74 -1.83 -0.00 0.00 0.00 177.39 177.29 1tur s GLU 19 N -2.15 4.39 -0.37 1.47 1.03 -1.26 -4.99 118.70 116.81 1tur s GLU 19 Ca 0.23 1.28 -0.21 0.00 0.03 0.00 0.00 54.97 56.31 1tur s GLU 19 Cb 0.20 -3.55 0.01 0.00 -0.80 0.00 0.00 34.13 29.99 1tur s GLU 19 CO 0.02 -0.32 0.67 -0.47 -1.33 0.00 0.00 175.26 173.83 1tur s TYR 20 N 2.06 3.12 -0.40 4.83 5.04 -1.26 -4.90 117.35 125.84 1tur s TYR 20 Ca 0.45 0.31 0.01 0.00 -2.44 0.00 0.00 57.07 55.40 1tur s TYR 20 Cb -0.18 -3.24 0.14 0.00 0.35 0.00 0.00 41.96 39.04 1tur s TYR 20 CO 0.16 -0.70 0.24 1.03 -1.34 0.00 0.00 175.55 174.94 1tur s ARG 21 N 2.81 0.93 0.61 4.97 0.52 -1.17 -5.06 118.95 122.56 1tur s ARG 21 Ca 0.25 -1.72 -0.18 0.00 -0.52 0.00 0.00 55.73 53.57 1tur s ARG 21 Cb -0.14 -1.80 -0.06 0.00 0.52 0.00 0.00 34.95 33.47 1tur s ARG 21 CO 0.16 -1.20 0.75 -2.30 0.02 0.00 0.00 175.30 172.73 1tur n PRO 22 N 3.70 0.65 -3.64 3.54 -0.01 -0.13 -3.82 135.00 135.30 1tur n PRO 22 Ca 0.12 0.26 -0.19 0.00 -0.01 0.00 0.00 63.50 63.68 1tur n PRO 22 Cb 0.37 -1.95 -0.16 0.00 -0.01 0.00 0.00 33.50 31.74 1tur n PRO 22 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 175.50 174.98 1tur s LEU 23 N -0.85 0.02 -0.05 2.45 1.02 0.41 0.99 118.68 122.68 1tur s LEU 23 Ca 0.72 0.08 -0.14 0.00 0.02 0.00 0.00 54.13 54.81 1tur s LEU 23 Cb -0.41 0.13 -0.05 0.00 0.02 0.00 0.00 46.19 45.87 1tur s LEU 23 CO 0.51 -0.27 0.38 0.00 0.02 0.00 0.00 176.35 176.99 1tur n GLY 25 N 2.27 1.16 0.16 0.00 0.00 -1.00 -2.49 105.19 105.29 1tur n GLY 25 Ca -0.13 -2.03 0.13 0.00 0.00 0.00 0.00 46.02 43.99 1tur n GLY 25 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1tur h SER 26 N -0.08 0.00 0.02 1.61 0.02 -1.67 -2.57 113.55 110.89 1tur h SER 26 Ca -0.07 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1tur h SER 26 Cb 0.26 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 1tur h SER 26 CO 0.08 0.00 -0.00 -2.24 -1.14 0.00 0.00 176.83 173.52 1tur h ASP 27 N 0.00 0.00 -1.37 3.07 2.03 -1.93 -3.45 116.42 114.77 1tur h ASP 27 Ca 0.00 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 56.11 1tur h ASP 27 Cb 0.53 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.03 1tur h ASP 27 CO 0.00 0.00 -0.24 0.59 -1.03 0.00 0.00 179.24 178.56 1tur n ASN 28 N -3.57 -3.23 -4.17 4.15 4.13 -0.97 -5.03 115.26 106.57 1tur n ASN 28 Ca -0.03 -0.01 -0.10 0.00 1.68 0.00 0.00 54.58 56.11 1tur n ASN 28 Cb 0.09 -2.49 -0.10 0.00 -1.54 0.00 0.00 39.78 35.73 1tur n ASN 28 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1tur s LYS 29 N -4.49 0.85 -0.10 3.52 3.01 -1.26 -4.96 119.74 116.31 1tur s LYS 29 Ca 0.00 -1.35 -0.11 0.00 -1.01 0.00 0.00 55.97 53.50 1tur s LYS 29 Cb -0.00 -0.14 -0.05 0.00 -1.01 0.00 0.00 37.83 36.63 1tur s LYS 29 CO 0.01 -0.06 0.24 0.99 0.51 0.00 0.00 175.35 177.04 1tur s THR 30 N -3.69 5.33 -0.18 2.17 2.01 -1.26 -2.37 115.64 117.65 1tur s THR 30 Ca 0.14 0.44 0.01 0.00 0.31 0.00 0.00 61.69 62.58 1tur s THR 30 Cb 0.06 -3.53 0.02 0.00 0.01 0.00 0.00 72.50 69.05 1tur s THR 30 CO -0.04 0.55 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.94 1tur s TYR 31 N -0.61 2.78 0.48 4.92 2.02 -0.24 -4.99 117.35 121.71 1tur s TYR 31 Ca 0.17 -1.56 0.13 0.00 -0.37 0.00 0.00 57.07 55.44 1tur s TYR 31 Cb -0.13 -1.92 1.11 0.00 -0.40 0.00 0.00 41.96 40.62 1tur s TYR 31 CO 0.06 -0.77 2.10 0.78 -1.57 0.00 0.00 175.55 176.15 1tur h GLY 32 N 7.88 0.24 -0.93 0.71 0.00 -1.88 0.12 103.07 109.20 1tur h GLY 32 Ca -0.44 -0.09 -0.15 0.00 0.00 0.00 0.00 47.33 46.65 1tur h GLY 32 CO 0.63 0.08 -0.02 1.16 0.00 0.00 0.00 176.54 178.39 1tur n ASN 33 N -4.51 -1.14 0.27 0.19 6.94 -1.25 -0.95 115.26 114.81 1tur n ASN 33 Ca 0.00 -2.27 0.11 0.00 -0.02 0.00 0.00 54.58 52.41 1tur n ASN 33 Cb 0.11 2.04 0.76 0.00 -2.36 0.00 0.00 39.78 40.32 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 0.75 -3.83 2.10 -1.87 -0.52 116.57 113.20 1tur h LYS 34 Ca -0.20 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.41 1tur h LYS 34 Cb 0.84 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.18 1tur h LYS 34 CO 0.27 0.04 -0.36 0.00 -2.00 0.00 0.00 179.45 177.40 1tur h ASN 36 N -1.10 0.00 0.76 0.00 2.35 -1.87 -0.65 115.58 115.07 1tur h ASN 36 Ca -0.10 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.61 1tur h ASN 36 Cb 0.77 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.15 1tur h ASN 36 CO 0.17 0.28 -0.37 0.15 -1.65 0.00 0.00 177.43 176.02 1tur h PHE 37 N 0.00 -0.95 0.00 1.19 3.57 -1.13 -2.86 116.94 116.76 1tur h PHE 37 Ca -0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1tur h PHE 37 Cb 1.20 0.31 0.00 0.00 2.79 0.00 0.00 35.95 40.25 1tur h PHE 37 CO 0.00 -0.59 0.00 0.00 -2.23 0.00 0.00 178.31 175.49 1tur h ASN 39 N 0.00 -0.50 0.78 0.00 2.35 -1.21 -0.43 115.58 116.57 1tur h ASN 39 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1tur h ASN 39 Cb 0.83 0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.33 1tur h ASN 39 CO 0.00 -0.32 0.00 0.00 -1.65 0.00 0.00 177.43 175.46 1tur h ALA 40 N -0.09 1.00 0.05 -0.83 0.00 -1.09 -0.44 119.26 117.87 1tur h ALA 40 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1tur h ALA 40 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1tur h ALA 40 CO 0.10 0.00 -0.03 0.28 0.00 0.00 0.00 179.25 179.60 1tur h VAL 41 N 0.00 0.89 0.00 0.00 2.07 -1.20 -3.01 116.25 115.01 1tur h VAL 41 Ca 0.00 -1.52 -0.06 0.00 0.82 0.00 0.00 66.70 65.94 1tur h VAL 41 Cb 0.39 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1tur h VAL 41 CO 0.00 0.28 -0.27 1.62 0.02 0.00 0.00 177.57 179.23 1tur h VAL 42 N -0.96 0.72 0.00 2.57 3.04 -0.86 -1.47 116.25 119.29 1tur h VAL 42 Ca -0.01 -1.15 -0.08 0.00 -1.01 0.00 0.00 66.70 64.45 1tur h VAL 42 Cb 0.52 1.73 -0.01 0.00 -2.01 0.00 0.00 31.29 31.52 1tur h VAL 42 CO 0.01 0.26 -0.40 -0.08 -1.01 0.00 0.00 177.57 176.35 1tur h GLU 43 N 0.00 0.00 -0.68 4.17 4.81 -1.18 -3.24 114.58 118.47 1tur h GLU 43 Ca -0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1tur h GLU 43 Cb 0.71 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 1tur h GLU 43 CO 0.03 0.40 0.06 -1.13 -0.73 0.00 0.00 179.01 177.64 1tur n SER 44 N -3.70 4.96 -3.36 1.04 3.41 -0.56 -4.92 113.62 110.49 1tur n SER 44 Ca -0.01 -2.86 -0.21 0.00 -0.26 0.00 0.00 58.87 55.53 1tur n SER 44 Cb 0.49 -0.68 0.08 0.00 -0.26 0.00 0.00 64.21 63.84 1tur n SER 44 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1tur n ASN 45 N 0.40 -5.24 -3.24 4.04 4.13 -1.20 -2.31 115.26 111.83 1tur n ASN 45 Ca 0.27 -0.52 -0.21 0.00 1.68 0.00 0.00 54.58 55.80 1tur n ASN 45 Cb 1.12 -4.75 0.07 0.00 -1.54 0.00 0.00 39.78 34.68 1tur n ASN 45 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1tur n GLY 46 N -1.75 -0.37 0.32 7.41 0.00 -1.20 -4.90 105.19 104.70 1tur n GLY 46 Ca -0.05 0.14 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 1tur n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1tur n THR 47 N -4.64 1.40 -1.75 2.61 -2.24 -0.98 -5.00 114.28 103.67 1tur n THR 47 Ca -0.02 0.12 -0.33 0.00 -2.27 0.00 0.00 64.05 61.55 1tur n THR 47 Cb 0.56 -2.11 0.05 0.00 -2.10 0.00 0.00 70.33 66.73 1tur n THR 47 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1tur s LEU 48 N -7.61 3.40 0.16 3.22 2.96 -1.26 -5.04 118.68 114.51 1tur s LEU 48 Ca -0.24 2.06 -0.25 0.00 -0.22 0.00 0.00 54.13 55.48 1tur s LEU 48 Cb 0.04 -4.56 0.06 0.00 0.50 0.00 0.00 46.19 42.24 1tur s LEU 48 CO 0.34 -1.68 0.96 0.28 -1.32 0.00 0.00 176.35 174.92 1tur s THR 49 N -2.26 0.00 -0.29 3.68 -1.32 -1.26 -4.81 115.64 109.38 1tur s THR 49 Ca 0.68 -0.67 -0.12 0.00 -1.21 0.00 0.00 61.69 60.37 1tur s THR 49 Cb -0.22 -2.04 -0.04 0.00 -1.51 0.00 0.00 72.50 68.69 1tur s THR 49 CO 0.41 0.00 0.23 -0.22 -2.21 0.00 0.00 174.62 172.83 1tur s LEU 50 N -2.96 4.09 0.08 9.08 2.96 -1.26 -1.68 118.68 128.98 1tur s LEU 50 Ca 0.13 -0.02 -0.05 0.00 -0.22 0.00 0.00 54.13 53.96 1tur s LEU 50 Cb -0.02 -2.17 -0.28 0.00 0.50 0.00 0.00 46.19 44.22 1tur s LEU 50 CO 0.03 -0.10 1.14 -1.28 -1.32 0.00 0.00 176.35 174.82 1tur h SER 51 N 8.36 0.47 -3.96 3.68 0.87 -1.70 -3.42 113.55 117.86 1tur h SER 51 Ca -0.34 -0.50 0.31 0.00 -1.23 0.00 0.00 61.79 60.03 1tur h SER 51 Cb 1.18 -0.15 -0.21 0.00 -0.44 0.00 0.00 62.40 62.77 1tur h SER 51 CO 0.58 1.38 0.95 -1.38 -0.53 0.00 0.00 176.83 177.83 1tur s HIS 52 N -2.69 -0.03 0.74 2.24 0.00 -1.22 -4.87 115.29 109.45 1tur s HIS 52 Ca -0.05 0.03 -0.12 0.00 -3.00 0.00 0.00 55.06 51.92 1tur s HIS 52 Cb 0.07 0.50 0.19 0.00 -4.00 0.00 0.00 32.58 29.34 1tur s HIS 52 CO 0.89 -0.05 0.49 1.19 -1.00 0.00 0.00 174.74 176.26 1tur n PHE 53 N 0.04 -3.11 -2.28 0.38 3.01 -1.26 -2.27 117.46 111.97 1tur n PHE 53 Ca 0.04 -0.46 0.14 0.00 1.01 0.00 0.00 57.45 58.18 1tur n PHE 53 Cb 0.57 -0.64 -0.04 0.00 -0.01 0.00 0.00 39.48 39.36 1tur n PHE 53 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1tur n GLY 54 N -2.56 -1.69 3.90 1.37 0.00 0.28 -4.40 105.19 102.10 1tur n GLY 54 Ca 0.07 -1.13 -0.28 0.00 0.00 0.00 0.00 46.02 44.68 1tur n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tur s LYS 55 N -1.62 2.89 0.00 1.61 1.02 -1.24 -2.29 119.74 120.11 1tur s LYS 55 Ca 0.00 0.17 0.02 0.00 0.02 0.00 0.00 55.97 56.18 1tur s LYS 55 Cb 0.00 -2.17 0.12 0.00 -0.52 0.00 0.00 37.83 35.25 1tur s LYS 55 CO 0.00 -0.83 0.60 0.00 -0.92 0.00 0.00 175.35 174.20