#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tur n ALA 2 N 0.00 1.77 -0.93 1.47 0.00 -1.26 -5.14 120.51 116.43 1tur n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1tur n ALA 2 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.59 1tur n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tur n ALA 3 N -1.57 0.00 -3.32 0.00 0.00 -1.26 -4.61 120.51 109.75 1tur n ALA 3 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1tur n ALA 3 Cb 0.28 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.57 1tur n ALA 3 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1tur s VAL 4 N 0.00 2.57 -0.29 0.00 -7.23 -1.26 -5.08 120.40 109.11 1tur s VAL 4 Ca 0.00 -0.82 0.03 0.00 -1.81 0.00 0.00 61.98 59.38 1tur s VAL 4 Cb 0.00 -2.06 0.17 0.00 0.56 0.00 0.00 36.38 35.05 1tur s VAL 4 CO 0.00 0.53 0.43 -0.44 -0.31 0.00 0.00 175.10 175.31 1tur s SER 5 N 0.59 0.15 0.45 4.85 0.01 -1.26 -4.57 113.70 113.91 1tur s SER 5 Ca -0.10 -0.33 -0.25 0.00 1.31 0.00 0.00 55.95 56.58 1tur s SER 5 Cb -0.16 1.21 -0.08 0.00 0.21 0.00 0.00 66.02 67.20 1tur s SER 5 CO 0.03 -0.35 1.41 -0.69 0.41 0.00 0.00 173.24 174.05 1tur s VAL 6 N 2.57 2.15 -0.15 3.43 1.01 -1.26 -4.92 120.40 123.24 1tur s VAL 6 Ca 0.10 0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.92 1tur s VAL 6 Cb -0.12 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 1tur s VAL 6 CO -0.30 0.02 1.07 -1.81 0.00 0.00 0.00 175.10 174.08 1tur s ASP 7 N -0.56 7.14 -0.03 3.32 1.01 -1.26 -4.91 116.67 121.37 1tur s ASP 7 Ca 0.61 1.54 0.05 0.00 0.71 0.00 0.00 52.55 55.46 1tur s ASP 7 Cb -0.43 -2.55 0.08 0.00 1.01 0.00 0.00 42.92 41.03 1tur s ASP 7 CO 0.55 -0.58 1.01 0.00 0.21 0.00 0.00 175.17 176.36 1tur h SER 9 N 0.00 0.00 -0.48 0.00 0.02 -1.96 -3.34 113.55 107.79 1tur h SER 9 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1tur h SER 9 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1tur h SER 9 CO 0.00 0.01 0.00 -0.62 -1.14 0.00 0.00 176.83 175.08 1tur n GLU 10 N -3.11 3.71 -4.26 3.45 4.71 -1.26 -4.97 120.64 118.91 1tur n GLU 10 Ca 0.01 -2.41 -0.18 0.00 -0.01 0.00 0.00 57.16 54.57 1tur n GLU 10 Cb 0.32 -1.97 -0.11 0.00 -1.01 0.00 0.00 31.44 28.68 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 -2.13 1.46 0.72 -0.32 1.51 -1.25 -4.43 117.35 112.90 1tur s TYR 11 Ca 0.42 -0.57 -0.11 0.00 -1.01 0.00 0.00 57.07 55.81 1tur s TYR 11 Cb 0.30 -0.75 0.03 0.00 -0.11 0.00 0.00 41.96 41.44 1tur s TYR 11 CO 0.16 0.18 1.10 -1.25 -1.11 0.00 0.00 175.55 174.62 1tur s PRO 12 N -2.87 2.58 0.29 -1.71 0.05 -1.26 -4.99 135.00 127.09 1tur s PRO 12 Ca 0.12 0.28 0.08 0.00 0.05 0.00 0.00 61.00 61.53 1tur s PRO 12 Cb -0.04 -2.03 -0.04 0.00 0.05 0.00 0.00 34.50 32.44 1tur s PRO 12 CO 0.03 -1.17 0.13 0.21 0.05 0.00 0.00 177.00 176.26 1tur s LYS 13 N -5.38 2.55 -0.41 4.56 2.20 -1.26 -5.02 119.74 116.98 1tur s LYS 13 Ca 0.59 -1.33 0.06 0.00 -0.36 0.00 0.00 55.97 54.92 1tur s LYS 13 Cb -0.11 -2.32 0.69 0.00 -1.51 0.00 0.00 37.83 34.58 1tur s LYS 13 CO 0.50 0.27 1.89 -0.35 -0.36 0.00 0.00 175.35 177.30 1tur n PRO 14 N -1.11 2.69 -3.65 4.03 -0.04 -1.26 -4.91 135.00 130.75 1tur n PRO 14 Ca -0.05 -3.04 -0.03 0.00 -0.04 0.00 0.00 63.50 60.34 1tur n PRO 14 Cb 0.59 -2.19 -0.07 0.00 -0.04 0.00 0.00 33.50 31.79 1tur n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1tur s ALA 15 N -3.21 -2.25 -0.01 0.55 0.00 -1.26 -5.16 121.76 110.42 1tur s ALA 15 Ca 0.57 1.83 0.07 0.00 0.00 0.00 0.00 51.96 54.42 1tur s ALA 15 Cb 0.47 -1.74 -0.02 0.00 0.00 0.00 0.00 23.12 21.83 1tur s ALA 15 CO 0.12 -0.19 -0.23 0.00 0.00 0.00 0.00 175.76 175.46 1tur s THR 17 N -0.58 5.10 -0.47 0.00 -4.23 -1.26 -4.97 115.64 109.24 1tur s THR 17 Ca 0.09 1.04 0.03 0.00 -1.18 0.00 0.00 61.69 61.67 1tur s THR 17 Cb -0.09 -3.85 0.62 0.00 1.34 0.00 0.00 72.50 70.52 1tur s THR 17 CO -0.00 0.37 1.91 0.18 -0.54 0.00 0.00 174.62 176.53 1tur n LEU 18 N 3.26 6.77 -4.71 4.79 7.99 -1.26 -4.81 117.00 129.03 1tur n LEU 18 Ca -0.07 -3.64 -0.42 0.00 -0.01 0.00 0.00 56.01 51.87 1tur n LEU 18 Cb 0.52 -0.85 -0.03 0.00 -0.11 0.00 0.00 43.42 42.94 1tur n LEU 18 CO 0.43 1.09 0.80 -1.83 -1.51 0.00 0.00 177.39 176.37 1tur s GLU 19 N -3.26 4.48 -0.44 3.23 1.03 -1.26 -4.97 118.70 117.51 1tur s GLU 19 Ca 0.56 1.61 -0.20 0.00 0.03 0.00 0.00 54.97 56.97 1tur s GLU 19 Cb 0.47 -3.41 0.03 0.00 -0.80 0.00 0.00 34.13 30.41 1tur s GLU 19 CO 0.09 -0.19 0.60 -0.47 -1.33 0.00 0.00 175.26 173.96 1tur s TYR 20 N 1.14 3.08 -0.45 4.83 5.04 -1.26 -4.78 117.35 124.95 1tur s TYR 20 Ca 0.55 -0.18 0.03 0.00 -2.44 0.00 0.00 57.07 55.03 1tur s TYR 20 Cb -0.25 -3.28 0.12 0.00 0.35 0.00 0.00 41.96 38.90 1tur s TYR 20 CO 0.28 -0.86 0.21 1.03 -1.34 0.00 0.00 175.55 174.87 1tur s ARG 21 N 2.66 1.56 0.44 4.97 0.52 -0.92 -5.05 118.95 123.14 1tur s ARG 21 Ca 0.19 -2.17 -0.24 0.00 -0.52 0.00 0.00 55.73 53.00 1tur s ARG 21 Cb -0.15 -2.85 -0.10 0.00 0.52 0.00 0.00 34.95 32.37 1tur s ARG 21 CO 0.17 -1.09 1.01 -2.30 0.02 0.00 0.00 175.30 173.10 1tur n PRO 22 N 3.57 1.31 -3.82 3.54 -0.01 -1.25 -3.85 135.00 134.49 1tur n PRO 22 Ca 0.05 0.47 -0.24 0.00 -0.01 0.00 0.00 63.50 63.78 1tur n PRO 22 Cb 0.35 -2.07 -0.17 0.00 -0.01 0.00 0.00 33.50 31.60 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 -0.72 0.76 -0.31 2.45 1.02 -0.91 0.99 118.68 121.96 1tur s LEU 23 Ca 0.65 -0.14 -0.09 0.00 0.02 0.00 0.00 54.13 54.57 1tur s LEU 23 Cb -0.53 -0.53 -0.00 0.00 0.02 0.00 0.00 46.19 45.14 1tur s LEU 23 CO 0.56 -0.17 0.13 0.00 0.02 0.00 0.00 176.35 176.89 1tur n GLY 25 N 4.95 -1.43 0.16 0.00 0.00 -0.86 -2.22 105.19 105.80 1tur n GLY 25 Ca -0.14 -1.68 0.04 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.02 0.00 0.04 1.61 0.87 -1.61 -2.11 113.55 111.34 1tur h SER 26 Ca -0.23 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.33 1tur h SER 26 Cb 0.64 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1tur h SER 26 CO 0.16 0.45 -0.00 -2.24 -0.53 0.00 0.00 176.83 174.67 1tur h ASP 27 N 0.00 0.00 -1.72 6.23 2.03 -1.93 -3.45 116.42 117.58 1tur h ASP 27 Ca -0.00 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.14 1tur h ASP 27 Cb 1.13 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.65 1tur h ASP 27 CO 0.06 0.00 -0.22 -3.20 -1.03 0.00 0.00 179.24 174.85 1tur n ASN 28 N -3.20 -3.14 -4.74 4.15 5.15 -0.79 -5.06 115.26 107.63 1tur n ASN 28 Ca -0.03 -0.08 -0.28 0.00 -0.60 0.00 0.00 54.58 53.59 1tur n ASN 28 Cb 0.08 -2.18 -0.07 0.00 -0.53 0.00 0.00 39.78 37.08 1tur n ASN 28 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1tur s LYS 29 N -4.78 2.16 0.20 1.20 -0.14 -1.26 -4.93 119.74 112.19 1tur s LYS 29 Ca 0.08 -2.11 0.07 0.00 -1.36 0.00 0.00 55.97 52.65 1tur s LYS 29 Cb -0.03 -1.78 -0.04 0.00 -1.68 0.00 0.00 37.83 34.30 1tur s LYS 29 CO 0.10 -0.26 0.08 0.99 -0.76 0.00 0.00 175.35 175.50 1tur s THR 30 N -2.74 4.03 -0.01 2.17 2.01 -1.26 -2.02 115.64 117.82 1tur s THR 30 Ca 0.27 -1.41 0.03 0.00 0.31 0.00 0.00 61.69 60.89 1tur s THR 30 Cb 0.04 -3.09 -0.01 0.00 0.01 0.00 0.00 72.50 69.45 1tur s THR 30 CO 0.15 -0.20 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.47 1tur s TYR 31 N -1.92 0.91 0.49 4.92 2.02 -0.54 -4.98 117.35 118.26 1tur s TYR 31 Ca 0.30 -0.18 0.14 0.00 -0.37 0.00 0.00 57.07 56.96 1tur s TYR 31 Cb -0.09 -0.60 1.16 0.00 -0.40 0.00 0.00 41.96 42.04 1tur s TYR 31 CO 0.21 -0.03 2.11 0.78 -1.57 0.00 0.00 175.55 177.06 1tur h GLY 32 N 5.98 0.10 0.00 0.71 0.00 -1.87 -2.41 103.07 105.57 1tur h GLY 32 Ca -0.32 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1tur h GLY 32 CO 0.49 0.04 0.00 1.16 0.00 0.00 0.00 176.54 178.23 1tur n ASN 33 N -4.50 0.00 0.28 0.19 0.23 -1.25 -2.16 115.26 108.05 1tur n ASN 33 Ca -0.02 -0.23 0.17 0.00 -0.53 0.00 0.00 54.58 53.97 1tur n ASN 33 Cb 0.10 0.00 0.73 0.00 -2.08 0.00 0.00 39.78 38.54 1tur n ASN 33 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 1tur h LYS 34 N 0.00 0.00 0.20 -3.83 5.09 -1.89 -0.56 116.57 115.58 1tur h LYS 34 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.73 1tur h LYS 34 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 1tur h LYS 34 CO 0.00 0.04 -0.10 0.00 -2.09 0.00 0.00 179.45 177.31 1tur h ASN 36 N -0.83 0.00 0.64 0.00 2.35 -1.92 -1.40 115.58 114.43 1tur h ASN 36 Ca -0.03 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 1tur h ASN 36 Cb 0.52 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.89 1tur h ASN 36 CO 0.05 0.05 -0.31 0.15 -1.65 0.00 0.00 177.43 175.72 1tur h PHE 37 N 0.00 -0.80 0.00 1.19 3.57 -1.17 -2.76 116.94 116.97 1tur h PHE 37 Ca -0.01 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.42 1tur h PHE 37 Cb 1.05 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 40.05 1tur h PHE 37 CO 0.00 -0.50 -0.25 0.00 -2.23 0.00 0.00 178.31 175.33 1tur h ASN 39 N 0.00 0.14 1.20 0.00 -0.26 -1.35 -0.62 115.58 114.70 1tur h ASN 39 Ca -0.00 -0.10 -0.01 0.00 -0.56 0.00 0.00 56.30 55.63 1tur h ASN 39 Cb 0.87 -0.04 -0.00 0.00 -1.06 0.00 0.00 38.32 38.10 1tur h ASN 39 CO 0.03 0.20 -0.04 0.00 -1.06 0.00 0.00 177.43 176.56 1tur h ALA 40 N 0.95 1.00 0.19 -0.83 0.00 -0.97 -0.38 119.26 119.23 1tur h ALA 40 Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1tur h ALA 40 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1tur h ALA 40 CO -0.01 0.06 -0.09 0.28 0.00 0.00 0.00 179.25 179.49 1tur h VAL 41 N 0.00 0.67 0.00 0.00 2.07 -1.12 -2.42 116.25 115.45 1tur h VAL 41 Ca -0.00 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 1tur h VAL 41 Cb 0.66 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1tur h VAL 41 CO 0.01 0.18 -0.10 1.62 0.02 0.00 0.00 177.57 179.30 1tur h VAL 42 N -0.92 0.27 0.00 2.57 3.04 -0.97 -1.44 116.25 118.79 1tur h VAL 42 Ca -0.03 -0.75 -0.15 0.00 -1.01 0.00 0.00 66.70 64.76 1tur h VAL 42 Cb 0.49 1.59 -0.02 0.00 -2.01 0.00 0.00 31.29 31.34 1tur h VAL 42 CO 0.04 0.10 -0.73 -0.08 -1.01 0.00 0.00 177.57 175.89 1tur h GLU 43 N 0.00 0.00 -0.81 4.17 4.57 -1.12 -3.31 114.58 118.08 1tur h GLU 43 Ca -0.00 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 57.97 1tur h GLU 43 Cb 0.58 0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 29.05 1tur h GLU 43 CO 0.01 0.73 0.27 -1.13 -1.18 0.00 0.00 179.01 177.71 1tur n SER 44 N -3.50 4.45 -3.12 1.04 3.41 -0.55 -4.91 113.62 110.44 1tur n SER 44 Ca -0.00 -3.08 -0.22 0.00 -0.26 0.00 0.00 58.87 55.31 1tur n SER 44 Cb 0.75 -0.72 0.05 0.00 -0.26 0.00 0.00 64.21 64.03 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 -0.14 -6.01 -2.85 4.04 3.02 -1.19 -1.68 115.26 110.44 1tur n ASN 45 Ca 0.37 -0.39 -0.20 0.00 -0.03 0.00 0.00 54.58 54.33 1tur n ASN 45 Cb 1.29 -4.73 0.04 0.00 -0.61 0.00 0.00 39.78 35.77 1tur n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1tur n GLY 46 N -1.70 -0.39 0.13 7.41 0.00 -1.20 -4.87 105.19 104.56 1tur n GLY 46 Ca -0.05 0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.48 1.63 -3.38 2.61 -2.24 -0.68 -4.97 114.28 102.77 1tur n THR 47 Ca -0.08 -0.40 -0.38 0.00 -2.27 0.00 0.00 64.05 60.92 1tur n THR 47 Cb 0.60 -1.81 -0.06 0.00 -2.10 0.00 0.00 70.33 66.96 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 -7.30 4.49 0.18 3.22 2.96 -1.26 -5.01 118.68 115.96 1tur s LEU 48 Ca -0.29 1.11 -0.08 0.00 -0.22 0.00 0.00 54.13 54.66 1tur s LEU 48 Cb 0.08 -2.80 -0.01 0.00 0.50 0.00 0.00 46.19 43.95 1tur s LEU 48 CO 0.65 0.28 0.28 0.42 -1.32 0.00 0.00 176.35 176.65 1tur s THR 49 N -1.14 0.05 -0.31 3.68 -4.23 -1.26 -4.75 115.64 107.67 1tur s THR 49 Ca 0.28 -1.52 -0.16 0.00 -1.18 0.00 0.00 61.69 59.11 1tur s THR 49 Cb -0.18 -2.01 -0.02 0.00 1.34 0.00 0.00 72.50 71.63 1tur s THR 49 CO 0.17 -0.22 0.41 -0.22 -0.54 0.00 0.00 174.62 174.22 1tur s LEU 50 N -3.01 4.25 0.07 4.79 2.96 -1.26 -1.52 118.68 124.96 1tur s LEU 50 Ca 0.22 0.04 -0.00 0.00 -0.22 0.00 0.00 54.13 54.17 1tur s LEU 50 Cb 0.03 -2.45 -0.26 0.00 0.50 0.00 0.00 46.19 44.02 1tur s LEU 50 CO 0.03 -0.32 1.13 -1.28 -1.32 0.00 0.00 176.35 174.59 1tur h SER 51 N 8.34 0.29 0.00 3.68 0.87 -1.67 -3.43 113.55 121.63 1tur h SER 51 Ca -0.30 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 59.94 1tur h SER 51 Cb 1.15 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1tur h SER 51 CO 0.70 1.26 0.00 0.00 -0.53 0.00 0.00 176.83 178.25 1tur n HIS 52 N -3.45 0.00 -0.58 2.24 -0.00 -1.22 -4.89 115.22 107.32 1tur n HIS 52 Ca -0.07 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.36 1tur n HIS 52 Cb 1.00 0.00 0.26 0.00 -0.00 0.00 0.00 29.99 31.25 1tur n HIS 52 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1tur s PHE 53 N -2.00 0.74 0.27 -1.40 0.40 -1.26 -2.38 117.98 112.35 1tur s PHE 53 Ca 0.00 0.91 0.00 0.00 -0.60 0.00 0.00 56.93 57.24 1tur s PHE 53 Cb 0.00 -3.07 0.00 0.00 0.51 0.00 0.00 43.02 40.46 1tur s PHE 53 CO 0.00 -4.19 0.00 0.41 0.70 0.00 0.00 175.22 172.14 1tur n GLY 54 N 0.72 -1.78 3.92 4.36 0.00 0.28 -4.65 105.19 108.05 1tur n GLY 54 Ca 0.06 -1.15 -0.21 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.85 3.09 0.00 1.61 0.00 -1.24 -2.83 119.74 118.52 1tur s LYS 55 Ca 0.00 -1.01 0.04 0.00 0.00 0.00 0.00 55.97 55.00 1tur s LYS 55 Cb 0.00 -2.72 0.25 0.00 0.00 0.00 0.00 37.83 35.36 1tur s LYS 55 CO 0.00 0.24 0.73 0.00 0.00 0.00 0.00 175.35 176.31