#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 0.00 -3.54 -1.18 0.00 -1.26 -4.95 120.51 109.58 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 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -1.92 -2.53 -0.24 0.00 0.00 -1.26 -5.13 121.76 110.68 1tur s ALA 3 Ca 0.00 2.10 -0.01 0.00 0.00 0.00 0.00 51.96 54.05 1tur s ALA 3 Cb 0.00 -1.89 0.03 0.00 0.00 0.00 0.00 23.12 21.25 1tur s ALA 3 CO 0.00 -0.57 -0.08 0.54 0.00 0.00 0.00 175.76 175.66 1tur s VAL 4 N 1.68 2.77 -0.30 0.00 0.11 -1.26 -5.02 120.40 118.37 1tur s VAL 4 Ca -0.06 -1.05 -0.14 0.00 -2.93 0.00 0.00 61.98 57.80 1tur s VAL 4 Cb -0.04 -2.40 0.18 0.00 -1.53 0.00 0.00 36.38 32.59 1tur s VAL 4 CO -0.15 0.21 1.11 -0.94 -3.33 0.00 0.00 175.10 172.01 1tur s SER 5 N 1.31 -0.24 0.50 3.54 1.04 -1.26 -4.71 113.70 113.87 1tur s SER 5 Ca -0.00 0.04 -0.23 0.00 0.48 0.00 0.00 55.95 56.23 1tur s SER 5 Cb -0.17 1.16 -0.06 0.00 0.10 0.00 0.00 66.02 67.05 1tur s SER 5 CO -0.05 -0.04 1.38 -0.69 0.98 0.00 0.00 173.24 174.82 1tur s VAL 6 N 2.98 2.10 -0.00 5.02 1.01 -1.26 -4.93 120.40 125.30 1tur s VAL 6 Ca 0.27 0.08 -0.25 0.00 0.00 0.00 0.00 61.98 62.08 1tur s VAL 6 Cb -0.01 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1tur s VAL 6 CO -0.21 0.00 0.77 1.51 0.00 0.00 0.00 175.10 177.17 1tur s ASP 7 N -0.77 7.15 -0.03 3.32 -4.77 -1.26 -4.94 116.67 115.37 1tur s ASP 7 Ca 0.67 1.38 0.05 0.00 -3.30 0.00 0.00 52.55 51.35 1tur s ASP 7 Cb -0.42 -2.46 0.07 0.00 -1.09 0.00 0.00 42.92 39.03 1tur s ASP 7 CO 0.51 -0.07 0.95 0.00 0.70 0.00 0.00 175.17 177.25 1tur h SER 9 N 0.00 0.00 -0.74 0.00 0.02 -1.96 -3.28 113.55 107.59 1tur h SER 9 Ca 0.00 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.45 1tur h SER 9 Cb 0.82 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 63.06 1tur h SER 9 CO 0.00 0.02 -0.04 -0.62 -1.14 0.00 0.00 176.83 175.05 1tur n GLU 10 N -3.46 2.82 -3.96 3.45 4.71 -1.26 -4.99 120.64 117.94 1tur n GLU 10 Ca -0.03 -3.60 -0.09 0.00 -0.01 0.00 0.00 57.16 53.43 1tur n GLU 10 Cb 0.11 -2.16 -0.10 0.00 -1.01 0.00 0.00 31.44 28.29 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 -3.58 0.26 0.67 -0.32 1.51 -1.24 -4.50 117.35 110.17 1tur s TYR 11 Ca 0.54 -0.62 -0.09 0.00 -1.01 0.00 0.00 57.07 55.89 1tur s TYR 11 Cb 0.44 -0.19 0.02 0.00 -0.11 0.00 0.00 41.96 42.13 1tur s TYR 11 CO 0.02 -0.36 1.03 -1.25 -1.11 0.00 0.00 175.55 173.88 1tur s PRO 12 N -2.80 2.74 0.27 -1.71 0.04 -1.26 -4.91 135.00 127.36 1tur s PRO 12 Ca -0.03 0.21 0.09 0.00 0.04 0.00 0.00 61.00 61.30 1tur s PRO 12 Cb -0.00 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 1tur s PRO 12 CO -0.06 -0.99 -0.12 0.15 0.04 0.00 0.00 177.00 176.03 1tur s LYS 13 N -5.24 1.55 -0.42 4.56 1.02 -1.26 -5.04 119.74 114.91 1tur s LYS 13 Ca 0.57 -1.74 0.03 0.00 0.02 0.00 0.00 55.97 54.85 1tur s LYS 13 Cb -0.11 -1.36 0.60 0.00 -0.52 0.00 0.00 37.83 36.44 1tur s LYS 13 CO 0.49 0.16 1.85 -0.35 -0.92 0.00 0.00 175.35 176.57 1tur n PRO 14 N -0.56 2.16 -3.60 -1.68 -0.04 -1.26 -4.77 135.00 125.24 1tur n PRO 14 Ca -0.06 -2.75 -0.05 0.00 -0.04 0.00 0.00 63.50 60.60 1tur n PRO 14 Cb 0.62 -2.08 -0.03 0.00 -0.04 0.00 0.00 33.50 31.97 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 -3.03 -2.06 -0.02 0.55 0.00 -1.26 -5.17 121.76 110.77 1tur s ALA 15 Ca 0.52 1.67 0.01 0.00 0.00 0.00 0.00 51.96 54.15 1tur s ALA 15 Cb 0.44 -0.51 0.02 0.00 0.00 0.00 0.00 23.12 23.07 1tur s ALA 15 CO 0.09 -0.48 -0.01 0.00 0.00 0.00 0.00 175.76 175.36 1tur s THR 17 N 0.62 2.26 -0.08 0.00 -4.23 -1.26 -4.93 115.64 108.01 1tur s THR 17 Ca -0.06 0.21 0.12 0.00 -1.18 0.00 0.00 61.69 60.78 1tur s THR 17 Cb -0.09 -3.12 0.19 0.00 1.34 0.00 0.00 72.50 70.82 1tur s THR 17 CO -0.01 0.01 1.08 0.00 -0.54 0.00 0.00 174.62 175.17 1tur n LEU 18 N -0.51 2.01 -4.79 4.79 -0.00 -1.26 -4.95 117.00 112.28 1tur n LEU 18 Ca 0.07 -2.57 -0.35 0.00 -0.00 0.00 0.00 56.01 53.16 1tur n LEU 18 Cb 0.44 -0.28 -0.05 0.00 -0.00 0.00 0.00 43.42 43.53 1tur n LEU 18 CO 0.55 0.60 0.70 -1.83 -0.00 0.00 0.00 177.39 177.41 1tur s GLU 19 N -2.12 4.18 -0.12 1.47 1.03 -1.26 -5.03 118.70 116.85 1tur s GLU 19 Ca 0.21 1.36 -0.06 0.00 0.03 0.00 0.00 54.97 56.51 1tur s GLU 19 Cb 0.18 -2.41 -0.04 0.00 -0.80 0.00 0.00 34.13 31.06 1tur s GLU 19 CO 0.02 -0.11 0.12 -0.47 -1.33 0.00 0.00 175.26 173.49 1tur s TYR 20 N -1.83 3.52 0.00 4.83 5.04 -1.26 -4.83 117.35 122.82 1tur s TYR 20 Ca 0.59 0.46 0.00 0.00 -2.44 0.00 0.00 57.07 55.69 1tur s TYR 20 Cb -0.17 -1.93 0.00 0.00 0.35 0.00 0.00 41.96 40.21 1tur s TYR 20 CO 0.22 0.67 0.00 0.54 -1.34 0.00 0.00 175.55 175.64 1tur n ARG 21 N 2.08 0.00 -1.02 4.97 1.74 -1.12 -5.07 116.66 118.24 1tur n ARG 21 Ca -0.20 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.58 1tur n ARG 21 Cb 0.55 0.00 0.15 0.00 -1.02 0.00 0.00 32.46 32.14 1tur n ARG 21 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1tur s PRO 22 N 0.00 1.05 -0.05 5.56 0.05 -1.12 -3.92 135.00 136.56 1tur s PRO 22 Ca 0.00 1.02 -0.02 0.00 0.05 0.00 0.00 61.00 62.04 1tur s PRO 22 Cb 0.00 -1.77 0.04 0.00 0.05 0.00 0.00 34.50 32.82 1tur s PRO 22 CO 0.00 -2.44 0.09 -0.51 0.05 0.00 0.00 177.00 174.19 1tur s LEU 23 N -6.39 0.07 -0.01 -3.56 1.02 -0.55 0.98 118.68 110.24 1tur s LEU 23 Ca 0.64 0.16 -0.21 0.00 0.02 0.00 0.00 54.13 54.75 1tur s LEU 23 Cb -0.20 -0.00 -0.05 0.00 0.02 0.00 0.00 46.19 45.96 1tur s LEU 23 CO 0.58 -0.25 0.60 0.00 0.02 0.00 0.00 176.35 177.30 1tur s GLY 25 N -0.11 1.72 0.12 0.00 0.00 -0.97 -2.42 107.32 105.66 1tur s GLY 25 Ca 0.31 -2.10 -0.15 0.00 0.00 0.00 0.00 44.72 42.79 1tur s GLY 25 CO 0.17 -1.56 1.57 0.23 0.00 0.00 0.00 173.10 173.51 1tur h SER 26 N -0.12 0.69 0.07 1.64 0.87 -0.74 -0.97 113.55 115.00 1tur h SER 26 Ca -0.30 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 59.95 1tur h SER 26 Cb 1.28 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 1tur h SER 26 CO 0.39 0.83 0.00 -0.90 -0.53 0.00 0.00 176.83 176.62 1tur n ASP 27 N -4.45 0.55 -0.33 6.23 5.75 -1.26 -4.85 116.55 118.20 1tur n ASP 27 Ca -0.01 0.75 -0.03 0.00 -0.01 0.00 0.00 54.79 55.48 1tur n ASP 27 Cb 0.29 -0.82 -0.00 0.00 -1.03 0.00 0.00 41.12 39.55 1tur n ASP 27 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1tur n ASN 28 N -2.23 -2.17 -4.92 -1.12 3.02 -0.37 -5.07 115.26 102.40 1tur n ASN 28 Ca -0.01 0.02 -0.26 0.00 -0.03 0.00 0.00 54.58 54.30 1tur n ASN 28 Cb 0.05 -1.17 0.02 0.00 -0.61 0.00 0.00 39.78 38.07 1tur n ASN 28 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1tur s LYS 29 N -3.67 3.16 0.32 3.52 3.01 -1.26 -4.85 119.74 119.97 1tur s LYS 29 Ca 0.00 -0.06 -0.08 0.00 -1.01 0.00 0.00 55.97 54.82 1tur s LYS 29 Cb 0.00 -2.38 -0.06 0.00 -1.01 0.00 0.00 37.83 34.38 1tur s LYS 29 CO 0.00 -0.43 0.64 0.99 0.51 0.00 0.00 175.35 177.06 1tur s THR 30 N -2.80 4.91 0.01 2.17 2.01 -1.26 -2.30 115.64 118.38 1tur s THR 30 Ca 0.50 0.35 0.06 0.00 0.31 0.00 0.00 61.69 62.91 1tur s THR 30 Cb -0.10 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 1tur s THR 30 CO 0.43 -0.35 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.54 1tur s TYR 31 N -2.14 1.51 0.15 4.92 2.02 -0.17 -4.96 117.35 118.68 1tur s TYR 31 Ca 0.47 -0.31 -0.12 0.00 -0.37 0.00 0.00 57.07 56.74 1tur s TYR 31 Cb -0.11 -0.94 0.01 0.00 -0.40 0.00 0.00 41.96 40.52 1tur s TYR 31 CO 0.28 0.01 1.58 0.78 -1.57 0.00 0.00 175.55 176.63 1tur h GLY 32 N 5.39 0.95 0.00 0.71 0.00 -1.89 -1.66 103.07 106.57 1tur h GLY 32 Ca -0.38 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.21 1tur h GLY 32 CO 0.47 0.68 0.00 1.16 0.00 0.00 0.00 176.54 178.85 1tur n ASN 33 N -4.29 0.00 0.27 0.19 2.04 -1.25 -2.80 115.26 109.43 1tur n ASN 33 Ca 0.00 -0.02 0.11 0.00 -0.44 0.00 0.00 54.58 54.23 1tur n ASN 33 Cb 0.35 0.00 0.76 0.00 -2.53 0.00 0.00 39.78 38.37 1tur n ASN 33 CO 0.00 0.00 0.00 0.07 -0.44 0.00 0.00 177.26 176.89 1tur h LYS 34 N 0.00 0.00 0.17 -3.83 2.10 -1.93 0.59 116.57 113.68 1tur h LYS 34 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1tur h LYS 34 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1tur h LYS 34 CO 0.00 0.02 -0.08 0.00 -2.00 0.00 0.00 179.45 177.39 1tur h ASN 36 N -0.63 0.00 0.78 0.00 2.35 -1.83 -0.27 115.58 115.98 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 0.46 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.84 1tur h ASN 36 CO 0.04 0.30 -0.37 0.15 -1.65 0.00 0.00 177.43 175.90 1tur h PHE 37 N 0.00 -0.97 0.00 1.19 3.57 -0.94 -2.79 116.94 117.00 1tur h PHE 37 Ca -0.03 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1tur h PHE 37 Cb 1.26 0.32 -0.00 0.00 2.79 0.00 0.00 35.95 40.31 1tur h PHE 37 CO 0.00 -0.60 -0.07 0.00 -2.23 0.00 0.00 178.31 175.41 1tur h ASN 39 N 0.00 0.14 1.27 0.00 -0.26 -1.15 -0.65 115.58 114.92 1tur h ASN 39 Ca -0.00 -0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.65 1tur h ASN 39 Cb 0.96 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 38.18 1tur h ASN 39 CO 0.01 0.19 -0.01 0.00 -1.06 0.00 0.00 177.43 176.56 1tur n ALA 40 N -2.17 2.31 -0.06 -0.83 0.00 -0.58 -1.24 120.51 117.94 1tur n ALA 40 Ca -0.05 -0.06 -0.06 0.00 0.00 0.00 0.00 53.44 53.27 1tur n ALA 40 Cb 0.07 -1.47 -0.05 0.00 0.00 0.00 0.00 19.45 18.01 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 0.60 0.00 0.00 2.07 -1.00 -1.85 116.25 116.08 1tur h VAL 41 Ca 0.00 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 66.04 1tur h VAL 41 Cb 0.64 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1tur h VAL 41 CO 0.00 0.20 0.00 1.62 0.02 0.00 0.00 177.57 179.41 1tur h VAL 42 N -1.00 0.00 0.01 2.57 3.04 -1.07 0.73 116.25 120.53 1tur h VAL 42 Ca -0.02 -0.08 -0.23 0.00 -1.01 0.00 0.00 66.70 65.36 1tur h VAL 42 Cb 0.42 1.03 -0.03 0.00 -2.01 0.00 0.00 31.29 30.71 1tur h VAL 42 CO -0.01 0.00 -1.14 1.05 -1.01 0.00 0.00 177.57 176.46 1tur h GLU 43 N 0.00 0.03 -0.41 4.17 -0.00 -1.28 -3.32 114.58 113.77 1tur h GLU 43 Ca 0.00 -0.05 -0.02 0.00 -0.00 0.00 0.00 59.36 59.29 1tur h GLU 43 Cb 0.09 0.02 -0.02 0.00 -0.00 0.00 0.00 28.75 28.83 1tur h GLU 43 CO 0.00 0.95 0.16 1.03 -0.00 0.00 0.00 179.01 181.15 1tur h SER 44 N 0.01 0.52 -4.58 3.06 0.87 0.13 -3.46 113.55 110.10 1tur h SER 44 Ca -0.07 -0.05 -0.20 0.00 -1.23 0.00 0.00 61.79 60.24 1tur h SER 44 Cb 1.83 -0.13 0.12 0.00 -0.44 0.00 0.00 62.40 63.78 1tur h SER 44 CO 0.13 0.47 -0.55 0.59 -0.53 0.00 0.00 176.83 176.94 1tur n ASN 45 N -4.38 -3.30 -3.27 6.23 4.13 -0.68 -3.86 115.26 110.13 1tur n ASN 45 Ca 0.03 -0.45 -0.18 0.00 1.68 0.00 0.00 54.58 55.65 1tur n ASN 45 Cb 0.14 -3.70 0.08 0.00 -1.54 0.00 0.00 39.78 34.76 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 -1.18 -0.35 0.00 7.41 0.00 -1.22 -4.88 105.19 104.97 1tur n GLY 46 Ca -0.14 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -4.28 0.00 0.00 2.61 -2.24 -1.25 -4.87 114.28 104.24 1tur n THR 47 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1tur n THR 47 Cb 0.61 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 1tur n THR 47 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1tur n LEU 48 N -0.88 0.06 -1.33 3.22 7.94 -1.26 -4.88 117.00 119.88 1tur n LEU 48 Ca 0.00 0.41 0.17 0.00 -1.11 0.00 0.00 56.01 55.48 1tur n LEU 48 Cb 0.03 -0.49 -0.06 0.00 0.53 0.00 0.00 43.42 43.43 1tur n LEU 48 CO 0.00 -0.49 -0.41 0.35 -1.11 0.00 0.00 177.39 175.73 1tur n THR 49 N -2.04 0.00 -3.82 1.96 -2.24 -1.26 -1.96 114.28 104.91 1tur n THR 49 Ca 0.00 0.42 -0.36 0.00 -2.27 0.00 0.00 64.05 61.84 1tur n THR 49 Cb 0.00 -0.87 -0.13 0.00 -2.10 0.00 0.00 70.33 67.23 1tur n THR 49 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1tur s LEU 50 N -7.04 3.23 0.01 3.22 2.96 -1.26 -1.97 118.68 117.82 1tur s LEU 50 Ca 0.00 -0.32 0.04 0.00 -0.22 0.00 0.00 54.13 53.63 1tur s LEU 50 Cb 0.00 -1.84 -0.24 0.00 0.50 0.00 0.00 46.19 44.61 1tur s LEU 50 CO 0.00 -0.04 0.86 -1.28 -1.32 0.00 0.00 176.35 174.57 1tur h SER 51 N 8.18 0.16 -3.73 3.68 0.87 -1.67 -3.46 113.55 117.58 1tur h SER 51 Ca -0.39 -0.25 0.28 0.00 -1.23 0.00 0.00 61.79 60.19 1tur h SER 51 Cb 1.16 -0.05 -0.23 0.00 -0.44 0.00 0.00 62.40 62.84 1tur h SER 51 CO 0.59 1.21 0.93 -1.38 -0.53 0.00 0.00 176.83 177.65 1tur s HIS 52 N -2.63 -0.05 1.40 2.24 0.00 -1.22 -5.00 115.29 110.03 1tur s HIS 52 Ca -0.06 0.06 -0.22 0.00 -3.00 0.00 0.00 55.06 51.84 1tur s HIS 52 Cb 0.08 0.50 0.36 0.00 -4.00 0.00 0.00 32.58 29.52 1tur s HIS 52 CO 0.83 -0.07 0.94 -0.06 -1.00 0.00 0.00 174.74 175.38 1tur s PHE 53 N -1.71 -0.46 0.02 0.38 0.40 -1.26 -1.81 117.98 113.54 1tur s PHE 53 Ca 0.10 0.63 0.00 0.00 -0.60 0.00 0.00 56.93 57.06 1tur s PHE 53 Cb -0.01 -2.91 0.00 0.00 0.51 0.00 0.00 43.02 40.61 1tur s PHE 53 CO -0.05 -4.92 0.00 0.41 0.70 0.00 0.00 175.22 171.37 1tur n GLY 54 N 1.37 -1.90 3.97 4.36 0.00 0.28 -4.39 105.19 108.87 1tur n GLY 54 Ca 0.12 -1.35 -0.21 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.26 2.91 0.00 1.61 -2.85 -1.25 -1.48 119.74 118.43 1tur s LYS 55 Ca 0.00 -0.74 0.09 0.00 -1.00 0.00 0.00 55.97 54.32 1tur s LYS 55 Cb 0.00 -2.61 0.57 0.00 -2.06 0.00 0.00 37.83 33.73 1tur s LYS 55 CO 0.00 -0.33 1.01 0.00 0.10 0.00 0.00 175.35 176.14