#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 -0.45 -2.44 1.96 0.00 -1.26 -4.97 120.51 113.36 1tur n ALA 2 Ca 0.00 0.22 -0.24 0.00 0.00 0.00 0.00 53.44 53.42 1tur n ALA 2 Cb 0.00 -2.02 -0.08 0.00 0.00 0.00 0.00 19.45 17.35 1tur n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tur s ALA 3 N -2.86 2.61 -0.27 0.00 0.00 -1.26 -5.16 121.76 114.82 1tur s ALA 3 Ca 0.00 -1.49 -0.11 0.00 0.00 0.00 0.00 51.96 50.36 1tur s ALA 3 Cb 0.00 1.05 0.11 0.00 0.00 0.00 0.00 23.12 24.27 1tur s ALA 3 CO 0.00 -0.47 0.61 0.54 0.00 0.00 0.00 175.76 176.44 1tur s VAL 4 N -3.26 -0.64 -0.29 0.00 0.11 -1.26 -5.13 120.40 109.93 1tur s VAL 4 Ca 0.29 0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.41 1tur s VAL 4 Cb 0.02 -0.92 0.19 0.00 -1.53 0.00 0.00 36.38 34.13 1tur s VAL 4 CO 0.20 0.01 0.55 -0.44 -3.33 0.00 0.00 175.10 172.09 1tur s SER 5 N 2.46 -1.11 0.60 3.54 0.01 -1.26 -4.29 113.70 113.64 1tur s SER 5 Ca -0.06 0.21 -0.19 0.00 1.31 0.00 0.00 55.95 57.21 1tur s SER 5 Cb -0.10 1.84 -0.03 0.00 0.21 0.00 0.00 66.02 67.94 1tur s SER 5 CO -0.18 -0.30 1.30 -0.69 0.41 0.00 0.00 173.24 173.78 1tur s VAL 6 N 2.77 2.16 0.03 3.43 1.01 -1.26 -4.92 120.40 123.63 1tur s VAL 6 Ca 0.12 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 1tur s VAL 6 Cb -0.12 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 1tur s VAL 6 CO -0.25 -0.01 0.98 -0.62 0.00 0.00 0.00 175.10 175.19 1tur s ASP 7 N -1.28 7.40 -0.02 3.32 2.15 -1.26 -4.92 116.67 122.06 1tur s ASP 7 Ca 0.78 1.71 0.08 0.00 0.43 0.00 0.00 52.55 55.55 1tur s ASP 7 Cb -0.37 -2.58 0.14 0.00 -0.30 0.00 0.00 42.92 39.81 1tur s ASP 7 CO 0.41 -0.21 1.06 0.00 -0.17 0.00 0.00 175.17 176.27 1tur h SER 9 N 0.25 0.00 -1.40 0.00 0.02 -1.97 -3.35 113.55 107.09 1tur h SER 9 Ca -0.05 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 60.49 1tur h SER 9 Cb 1.44 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.59 1tur h SER 9 CO 0.02 0.00 -1.16 -1.84 -1.14 0.00 0.00 176.83 172.71 1tur n GLU 10 N -3.03 1.06 -4.33 3.45 -0.00 -1.26 -5.09 120.64 111.45 1tur n GLU 10 Ca -0.00 -3.24 -0.24 0.00 -0.00 0.00 0.00 57.16 53.67 1tur n GLU 10 Cb 0.24 -1.42 -0.12 0.00 -0.00 0.00 0.00 31.44 30.14 1tur n GLU 10 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1tur s TYR 11 N -2.65 1.94 0.47 -1.84 1.51 -1.26 -4.75 117.35 110.76 1tur s TYR 11 Ca 0.33 -0.42 0.06 0.00 -1.01 0.00 0.00 57.07 56.03 1tur s TYR 11 Cb 0.41 -1.02 -0.01 0.00 -0.11 0.00 0.00 41.96 41.22 1tur s TYR 11 CO -0.02 0.29 0.30 -1.25 -1.11 0.00 0.00 175.55 173.76 1tur s PRO 12 N -2.24 2.30 0.22 -1.71 0.04 -1.26 -4.97 135.00 127.38 1tur s PRO 12 Ca 0.12 -1.88 0.11 0.00 0.04 0.00 0.00 61.00 59.39 1tur s PRO 12 Cb -0.09 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 1tur s PRO 12 CO 0.06 -0.34 -0.19 0.15 0.04 0.00 0.00 177.00 176.72 1tur s LYS 13 N -4.09 1.71 -0.37 4.56 1.02 -1.26 -5.02 119.74 116.28 1tur s LYS 13 Ca 0.38 -1.54 0.07 0.00 0.02 0.00 0.00 55.97 54.90 1tur s LYS 13 Cb -0.00 -1.90 0.65 0.00 -0.52 0.00 0.00 37.83 36.06 1tur s LYS 13 CO 0.22 0.38 1.77 -0.35 -0.92 0.00 0.00 175.35 176.45 1tur n PRO 14 N -0.10 2.57 -3.63 -1.68 -0.04 -1.26 -4.95 135.00 125.91 1tur n PRO 14 Ca -0.10 -3.07 -0.05 0.00 -0.04 0.00 0.00 63.50 60.24 1tur n PRO 14 Cb 0.57 -2.09 -0.05 0.00 -0.04 0.00 0.00 33.50 31.88 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 -3.19 -2.08 0.02 0.55 0.00 -1.26 -5.18 121.76 110.62 1tur s ALA 15 Ca 0.53 1.76 0.00 0.00 0.00 0.00 0.00 51.96 54.25 1tur s ALA 15 Cb 0.45 -1.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 1tur s ALA 15 CO 0.09 -0.22 -0.03 0.00 0.00 0.00 0.00 175.76 175.59 1tur s THR 17 N -1.67 2.17 -0.23 0.00 -4.23 -1.26 -4.93 115.64 105.49 1tur s THR 17 Ca -0.14 0.09 0.22 0.00 -1.18 0.00 0.00 61.69 60.69 1tur s THR 17 Cb -0.08 -2.88 -0.23 0.00 1.34 0.00 0.00 72.50 70.65 1tur s THR 17 CO -0.02 -0.03 0.70 0.18 -0.54 0.00 0.00 174.62 174.92 1tur n LEU 18 N -2.25 0.34 -4.70 4.79 4.77 -1.26 -4.92 117.00 113.77 1tur n LEU 18 Ca 0.15 0.02 -0.42 0.00 -0.03 0.00 0.00 56.01 55.73 1tur n LEU 18 Cb 0.49 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.53 1tur n LEU 18 CO 0.47 -0.01 1.40 -1.61 -1.33 0.00 0.00 177.39 176.31 1tur s GLU 19 N -3.40 4.15 -0.57 3.23 8.01 -1.26 -4.90 118.70 123.95 1tur s GLU 19 Ca -0.04 2.53 -0.28 0.00 0.01 0.00 0.00 54.97 57.19 1tur s GLU 19 Cb 0.13 -3.45 0.03 0.00 -4.31 0.00 0.00 34.13 26.53 1tur s GLU 19 CO 0.87 -0.78 1.20 -0.47 0.01 0.00 0.00 175.26 176.08 1tur s TYR 20 N 2.26 2.61 -0.53 1.61 5.04 -1.26 -4.74 117.35 122.34 1tur s TYR 20 Ca 0.77 0.44 0.04 0.00 -2.44 0.00 0.00 57.07 55.88 1tur s TYR 20 Cb -0.45 -4.51 0.17 0.00 0.35 0.00 0.00 41.96 37.51 1tur s TYR 20 CO 0.34 -1.58 0.40 1.03 -1.34 0.00 0.00 175.55 174.40 1tur s ARG 21 N 4.94 1.56 0.71 4.97 0.52 -0.99 -5.05 118.95 125.61 1tur s ARG 21 Ca 0.44 -2.61 -0.16 0.00 -0.52 0.00 0.00 55.73 52.87 1tur s ARG 21 Cb -0.07 -2.29 0.02 0.00 0.52 0.00 0.00 34.95 33.13 1tur s ARG 21 CO 0.26 -1.33 1.21 -0.35 0.02 0.00 0.00 175.30 175.11 1tur n PRO 22 N 2.53 0.74 -3.73 3.54 -0.04 -1.25 -4.19 135.00 132.60 1tur n PRO 22 Ca 0.24 0.32 -0.25 0.00 -0.04 0.00 0.00 63.50 63.77 1tur n PRO 22 Cb 0.42 -2.45 -0.17 0.00 -0.04 0.00 0.00 33.50 31.25 1tur n PRO 22 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1tur s LEU 23 N -4.51 0.74 0.48 1.53 1.02 -0.97 0.98 118.68 117.95 1tur s LEU 23 Ca 0.79 -0.42 -0.19 0.00 0.02 0.00 0.00 54.13 54.32 1tur s LEU 23 Cb -0.35 -0.45 -0.09 0.00 0.02 0.00 0.00 46.19 45.32 1tur s LEU 23 CO 0.45 -0.26 1.00 0.00 0.02 0.00 0.00 176.35 177.55 1tur s GLY 25 N -2.32 2.50 0.55 0.00 0.00 -0.98 -2.61 107.32 104.46 1tur s GLY 25 Ca 0.63 -1.07 0.25 0.00 0.00 0.00 0.00 44.72 44.53 1tur s GLY 25 CO 0.21 -1.99 2.18 1.76 0.00 0.00 0.00 173.10 175.25 1tur h SER 26 N 0.86 0.00 0.08 1.64 0.02 -1.55 -2.54 113.55 112.06 1tur h SER 26 Ca -0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1tur h SER 26 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1tur h SER 26 CO 0.60 0.04 0.00 -2.24 -1.14 0.00 0.00 176.83 174.09 1tur h ASP 27 N 0.00 0.00 0.00 3.07 2.03 -1.94 -3.45 116.42 116.13 1tur h ASP 27 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1tur h ASP 27 Cb 0.09 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.59 1tur h ASP 27 CO 0.01 0.00 0.00 -0.46 -1.03 0.00 0.00 179.24 177.76 1tur n ASN 28 N -2.82 -0.08 -4.79 4.15 6.94 -0.96 -5.05 115.26 112.66 1tur n ASN 28 Ca -0.02 0.00 -0.22 0.00 -0.02 0.00 0.00 54.58 54.32 1tur n ASN 28 Cb 0.08 -0.01 -0.05 0.00 -2.36 0.00 0.00 39.78 37.44 1tur n ASN 28 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1tur s LYS 29 N -0.25 2.71 0.41 -3.83 2.20 -1.26 -4.93 119.74 114.79 1tur s LYS 29 Ca 0.00 -1.22 0.04 0.00 -0.36 0.00 0.00 55.97 54.43 1tur s LYS 29 Cb 0.00 -2.43 0.00 0.00 -1.51 0.00 0.00 37.83 33.89 1tur s LYS 29 CO 0.00 0.30 0.58 0.99 -0.36 0.00 0.00 175.35 176.86 1tur s THR 30 N -2.24 3.76 0.07 3.43 2.01 -1.26 -2.33 115.64 119.09 1tur s THR 30 Ca 0.35 -0.79 0.05 0.00 0.31 0.00 0.00 61.69 61.61 1tur s THR 30 Cb -0.07 -3.34 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 1tur s THR 30 CO 0.24 -0.18 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.54 1tur s TYR 31 N -2.39 1.25 0.32 4.92 2.02 -0.33 -4.97 117.35 118.17 1tur s TYR 31 Ca 0.49 -0.45 -0.00 0.00 -0.37 0.00 0.00 57.07 56.73 1tur s TYR 31 Cb -0.10 -0.70 0.52 0.00 -0.40 0.00 0.00 41.96 41.28 1tur s TYR 31 CO 0.34 0.06 1.98 0.78 -1.57 0.00 0.00 175.55 177.15 1tur h GLY 32 N 4.33 1.04 0.00 0.71 0.00 -1.86 -2.57 103.07 104.71 1tur h GLY 32 Ca -0.41 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.53 1tur h GLY 32 CO 0.40 0.39 0.00 1.16 0.00 0.00 0.00 176.54 178.49 1tur n ASN 33 N -4.42 0.00 0.24 0.19 0.23 -1.26 -2.35 115.26 107.89 1tur n ASN 33 Ca 0.08 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.24 1tur n ASN 33 Cb 0.04 0.00 0.54 0.00 -2.08 0.00 0.00 39.78 38.28 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 0.12 -3.83 5.09 -1.90 0.98 116.57 117.03 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 0.18 -0.06 0.00 -2.09 0.00 0.00 179.45 177.48 1tur h ASN 36 N -0.85 0.00 0.82 0.00 2.35 -1.91 -0.26 115.58 115.72 1tur h ASN 36 Ca -0.02 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 1tur h ASN 36 Cb 0.55 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.93 1tur h ASN 36 CO 0.03 0.36 -0.39 0.15 -1.65 0.00 0.00 177.43 175.93 1tur h PHE 37 N 0.00 -1.02 0.00 1.19 3.57 -0.89 -2.76 116.94 117.03 1tur h PHE 37 Ca -0.02 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.39 1tur h PHE 37 Cb 1.29 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 40.36 1tur h PHE 37 CO 0.00 -0.62 -0.30 0.00 -2.23 0.00 0.00 178.31 175.15 1tur h ASN 39 N 0.00 -0.07 1.06 0.00 2.35 -1.11 -0.24 115.58 117.57 1tur h ASN 39 Ca -0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1tur h ASN 39 Cb 0.87 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.26 1tur h ASN 39 CO 0.04 0.02 0.00 0.00 -1.65 0.00 0.00 177.43 175.84 1tur h ALA 40 N 0.79 1.00 0.08 -0.83 0.00 -0.95 0.16 119.26 119.51 1tur h ALA 40 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1tur h ALA 40 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1tur h ALA 40 CO 0.01 0.00 -0.04 0.28 0.00 0.00 0.00 179.25 179.51 1tur h VAL 41 N 0.00 0.72 0.00 0.00 2.07 -0.97 -2.89 116.25 115.18 1tur h VAL 41 Ca 0.00 -1.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.14 1tur h VAL 41 Cb 0.53 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1tur h VAL 41 CO 0.00 0.22 -0.10 1.62 0.02 0.00 0.00 177.57 179.34 1tur h VAL 42 N -0.97 0.26 -0.15 2.57 3.04 -0.80 -0.54 116.25 119.66 1tur h VAL 42 Ca -0.01 -0.76 -0.13 0.00 -1.01 0.00 0.00 66.70 64.79 1tur h VAL 42 Cb 0.45 1.61 -0.01 0.00 -2.01 0.00 0.00 31.29 31.33 1tur h VAL 42 CO 0.02 0.10 -0.46 -0.33 -1.01 0.00 0.00 177.57 175.89 1tur h GLU 43 N 0.00 0.36 -0.70 4.17 4.39 -1.07 -3.30 114.58 118.44 1tur h GLU 43 Ca -0.00 -0.19 -0.06 0.00 0.34 0.00 0.00 59.36 59.45 1tur h GLU 43 Cb 0.60 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 1tur h GLU 43 CO 0.01 0.75 0.07 -1.13 -1.16 0.00 0.00 179.01 177.55 1tur n SER 44 N -3.99 4.80 -3.39 1.42 3.41 -0.22 -4.92 113.62 110.72 1tur n SER 44 Ca -0.02 -2.85 -0.19 0.00 -0.26 0.00 0.00 58.87 55.54 1tur n SER 44 Cb 0.53 -0.67 0.08 0.00 -0.26 0.00 0.00 64.21 63.88 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 0.34 -4.03 -3.24 4.04 3.02 -1.12 -2.62 115.26 111.64 1tur n ASN 45 Ca 0.27 -0.56 -0.20 0.00 -0.03 0.00 0.00 54.58 54.06 1tur n ASN 45 Cb 1.10 -4.88 0.07 0.00 -0.61 0.00 0.00 39.78 35.47 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 -1.52 -0.36 0.74 7.41 0.00 -1.21 -4.90 105.19 105.35 1tur n GLY 46 Ca -0.14 0.13 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 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 -4.52 0.95 -2.27 2.61 -2.24 -1.08 -5.01 114.28 102.72 1tur n THR 47 Ca -0.05 0.13 -0.36 0.00 -2.27 0.00 0.00 64.05 61.49 1tur n THR 47 Cb 0.58 -1.74 -0.01 0.00 -2.10 0.00 0.00 70.33 67.06 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 -6.92 3.94 0.28 3.22 2.96 -1.26 -5.02 118.68 115.87 1tur s LEU 48 Ca -0.11 2.26 -0.20 0.00 -0.22 0.00 0.00 54.13 55.87 1tur s LEU 48 Cb 0.03 -4.34 0.02 0.00 0.50 0.00 0.00 46.19 42.40 1tur s LEU 48 CO 0.14 -0.99 0.69 0.28 -1.32 0.00 0.00 176.35 175.15 1tur s THR 49 N -1.61 0.00 -0.32 3.68 -1.32 -1.26 -4.81 115.64 109.99 1tur s THR 49 Ca 0.66 -1.06 -0.12 0.00 -1.21 0.00 0.00 61.69 59.96 1tur s THR 49 Cb -0.27 -2.08 -0.03 0.00 -1.51 0.00 0.00 72.50 68.61 1tur s THR 49 CO 0.32 0.00 0.23 -0.22 -2.21 0.00 0.00 174.62 172.74 1tur s LEU 50 N -2.94 4.35 0.05 9.08 2.96 -1.26 -1.37 118.68 129.56 1tur s LEU 50 Ca 0.13 -0.27 0.08 0.00 -0.22 0.00 0.00 54.13 53.84 1tur s LEU 50 Cb -0.05 -2.15 -0.22 0.00 0.50 0.00 0.00 46.19 44.27 1tur s LEU 50 CO 0.08 -0.18 1.03 -1.28 -1.32 0.00 0.00 176.35 174.68 1tur h SER 51 N 8.45 0.05 0.00 3.68 0.87 -1.75 -3.43 113.55 121.42 1tur h SER 51 Ca -0.32 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1tur h SER 51 Cb 1.17 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1tur h SER 51 CO 0.61 1.05 0.00 0.00 -0.53 0.00 0.00 176.83 177.96 1tur n HIS 52 N -3.26 0.00 -0.39 2.24 -0.00 -1.25 -4.99 115.22 107.58 1tur n HIS 52 Ca -0.07 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.34 1tur n HIS 52 Cb 0.99 0.00 0.29 0.00 -0.00 0.00 0.00 29.99 31.26 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 -0.47 0.16 -1.40 0.40 -1.26 -2.25 117.98 111.16 1tur s PHE 53 Ca 0.00 0.63 0.00 0.00 -0.60 0.00 0.00 56.93 56.96 1tur s PHE 53 Cb 0.00 -2.92 0.00 0.00 0.51 0.00 0.00 43.02 40.61 1tur s PHE 53 CO 0.00 -4.91 0.00 0.41 0.70 0.00 0.00 175.22 171.42 1tur n GLY 54 N 1.34 -1.44 3.95 4.36 0.00 0.28 -4.48 105.19 109.19 1tur n GLY 54 Ca 0.12 -1.09 -0.23 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.06 3.07 0.00 1.61 -2.85 -1.25 -2.13 119.74 117.14 1tur s LYS 55 Ca 0.00 -0.41 0.03 0.00 -1.00 0.00 0.00 55.97 54.59 1tur s LYS 55 Cb 0.00 -2.52 0.18 0.00 -2.06 0.00 0.00 37.83 33.43 1tur s LYS 55 CO 0.00 -0.31 0.67 0.00 0.10 0.00 0.00 175.35 175.81