#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 -2.48 -0.26 1.96 0.00 -1.26 -5.17 121.76 114.54 1tur s ALA 2 Ca 0.00 2.05 -0.27 0.00 0.00 0.00 0.00 51.96 53.73 1tur s ALA 2 Cb 0.00 -1.86 0.17 0.00 0.00 0.00 0.00 23.12 21.43 1tur s ALA 2 CO 0.00 -0.31 1.26 0.00 0.00 0.00 0.00 175.76 176.70 1tur s ALA 3 N 1.08 -2.09 -0.10 0.00 0.00 -1.26 -5.14 121.76 114.25 1tur s ALA 3 Ca -0.07 1.76 -0.03 0.00 0.00 0.00 0.00 51.96 53.62 1tur s ALA 3 Cb -0.03 -1.43 0.04 0.00 0.00 0.00 0.00 23.12 21.71 1tur s ALA 3 CO -0.12 -0.21 0.04 0.54 0.00 0.00 0.00 175.76 176.02 1tur s VAL 4 N -0.50 0.15 -0.29 0.00 0.11 -1.26 -5.09 120.40 113.51 1tur s VAL 4 Ca 0.05 0.05 0.03 0.00 -2.93 0.00 0.00 61.98 59.18 1tur s VAL 4 Cb -0.03 -0.50 0.20 0.00 -1.53 0.00 0.00 36.38 34.52 1tur s VAL 4 CO -0.08 0.04 0.60 -0.94 -3.33 0.00 0.00 175.10 171.39 1tur s SER 5 N 2.05 -1.54 1.17 3.54 1.04 -1.26 -4.95 113.70 113.75 1tur s SER 5 Ca 0.03 0.41 -0.13 0.00 0.48 0.00 0.00 55.95 56.75 1tur s SER 5 Cb -0.14 2.07 0.29 0.00 0.10 0.00 0.00 66.02 68.34 1tur s SER 5 CO -0.06 -0.28 1.03 -0.69 0.98 0.00 0.00 173.24 174.22 1tur s VAL 6 N 2.84 2.01 -0.03 5.02 1.01 -1.26 -5.03 120.40 124.96 1tur s VAL 6 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.18 1tur s VAL 6 Cb -0.12 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 1tur s VAL 6 CO -0.24 -0.00 -0.22 -1.81 0.00 0.00 0.00 175.10 172.82 1tur s ASP 7 N -2.45 3.36 -0.01 3.32 1.01 -1.26 -5.01 116.67 115.64 1tur s ASP 7 Ca 0.69 -0.39 0.01 0.00 0.71 0.00 0.00 52.55 53.56 1tur s ASP 7 Cb -0.25 -0.57 0.01 0.00 1.01 0.00 0.00 42.92 43.12 1tur s ASP 7 CO 0.65 0.32 0.75 0.00 0.21 0.00 0.00 175.17 177.10 1tur h SER 9 N 0.00 0.00 -0.71 0.00 0.02 -1.97 -3.30 113.55 107.60 1tur h SER 9 Ca 0.00 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.48 1tur h SER 9 Cb 1.13 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 63.39 1tur h SER 9 CO 0.00 0.03 -0.02 -0.62 -1.14 0.00 0.00 176.83 175.09 1tur n GLU 10 N -3.42 2.70 -4.07 3.45 4.71 -1.26 -4.99 120.64 117.76 1tur n GLU 10 Ca -0.02 -3.54 -0.13 0.00 -0.01 0.00 0.00 57.16 53.45 1tur n GLU 10 Cb 0.15 -2.13 -0.12 0.00 -1.01 0.00 0.00 31.44 28.33 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 -3.54 0.65 0.34 -0.32 1.51 -1.24 -4.61 117.35 110.14 1tur s TYR 11 Ca 0.53 -0.46 0.07 0.00 -1.01 0.00 0.00 57.07 56.20 1tur s TYR 11 Cb 0.44 -0.39 -0.01 0.00 -0.11 0.00 0.00 41.96 41.89 1tur s TYR 11 CO 0.02 -0.08 0.47 -1.25 -1.11 0.00 0.00 175.55 173.60 1tur s PRO 12 N -1.43 3.09 0.28 -1.71 0.04 -1.26 -5.01 135.00 128.99 1tur s PRO 12 Ca -0.09 -1.04 0.08 0.00 0.04 0.00 0.00 61.00 60.00 1tur s PRO 12 Cb -0.09 -2.81 -0.04 0.00 0.04 0.00 0.00 34.50 31.60 1tur s PRO 12 CO 0.00 0.04 0.11 0.15 0.04 0.00 0.00 177.00 177.34 1tur s LYS 13 N -4.18 2.57 -0.33 4.56 1.02 -1.26 -5.02 119.74 117.10 1tur s LYS 13 Ca 0.46 -1.29 0.09 0.00 0.02 0.00 0.00 55.97 55.25 1tur s LYS 13 Cb -0.09 -2.34 0.67 0.00 -0.52 0.00 0.00 37.83 35.55 1tur s LYS 13 CO 0.31 0.33 1.74 -0.35 -0.92 0.00 0.00 175.35 176.45 1tur n PRO 14 N -1.07 3.06 -3.59 -1.68 -0.04 -1.26 -4.98 135.00 125.44 1tur n PRO 14 Ca -0.06 -3.07 -0.05 0.00 -0.04 0.00 0.00 63.50 60.28 1tur n PRO 14 Cb 0.59 -2.11 -0.02 0.00 -0.04 0.00 0.00 33.50 31.92 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 -3.08 -2.06 0.02 0.55 0.00 -1.26 -5.18 121.76 110.75 1tur s ALA 15 Ca 0.53 1.57 -0.00 0.00 0.00 0.00 0.00 51.96 54.06 1tur s ALA 15 Cb 0.43 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.43 1tur s ALA 15 CO 0.10 -0.59 -0.03 0.00 0.00 0.00 0.00 175.76 175.24 1tur s THR 17 N -1.70 4.40 -0.21 0.00 -4.23 -1.26 -4.97 115.64 107.67 1tur s THR 17 Ca -0.14 1.65 0.19 0.00 -1.18 0.00 0.00 61.69 62.21 1tur s THR 17 Cb -0.08 -4.11 0.02 0.00 1.34 0.00 0.00 72.50 69.67 1tur s THR 17 CO -0.02 0.51 1.14 -0.07 -0.54 0.00 0.00 174.62 175.65 1tur h LEU 18 N 4.30 0.00 -9.93 4.79 3.38 -2.02 -3.48 115.31 112.36 1tur h LEU 18 Ca -0.47 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 56.96 1tur h LEU 18 Cb 1.21 0.00 0.10 0.00 0.09 0.00 0.00 40.66 42.06 1tur h LEU 18 CO 0.66 0.29 0.77 -1.83 0.09 0.00 0.00 178.44 178.41 1tur s GLU 19 N -3.12 4.14 -0.19 1.13 1.03 -1.26 -4.88 118.70 115.55 1tur s GLU 19 Ca 0.01 2.53 -0.13 0.00 0.03 0.00 0.00 54.97 57.41 1tur s GLU 19 Cb 0.08 -2.98 -0.05 0.00 -0.80 0.00 0.00 34.13 30.38 1tur s GLU 19 CO 0.77 -0.50 0.25 -0.47 -1.33 0.00 0.00 175.26 173.98 1tur s TYR 20 N -1.05 3.40 -0.47 4.83 5.04 -1.26 -4.85 117.35 122.99 1tur s TYR 20 Ca 0.53 0.47 0.05 0.00 -2.44 0.00 0.00 57.07 55.68 1tur s TYR 20 Cb -0.46 -2.32 0.26 0.00 0.35 0.00 0.00 41.96 39.79 1tur s TYR 20 CO 0.61 0.17 0.96 0.54 -1.34 0.00 0.00 175.55 176.49 1tur n ARG 21 N 3.87 0.76 -1.04 4.97 1.74 -0.99 -5.06 116.66 120.91 1tur n ARG 21 Ca -0.13 -1.67 -0.33 0.00 -0.77 0.00 0.00 57.85 54.95 1tur n ARG 21 Cb 0.52 -1.29 0.13 0.00 -1.02 0.00 0.00 32.46 30.79 1tur n ARG 21 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1tur n PRO 22 N 1.42 0.07 -3.61 5.56 -0.05 -0.97 -4.03 135.00 133.39 1tur n PRO 22 Ca 0.08 0.10 -0.19 0.00 -0.05 0.00 0.00 63.50 63.44 1tur n PRO 22 Cb 0.65 -2.30 -0.15 0.00 -0.05 0.00 0.00 33.50 31.65 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 -4.64 -0.03 0.53 1.53 1.02 -0.76 0.98 118.68 117.32 1tur s LEU 23 Ca 0.70 0.03 -0.16 0.00 0.02 0.00 0.00 54.13 54.73 1tur s LEU 23 Cb -0.28 0.24 -0.07 0.00 0.02 0.00 0.00 46.19 46.09 1tur s LEU 23 CO 0.54 -0.28 0.99 0.00 0.02 0.00 0.00 176.35 177.62 1tur n GLY 25 N -1.75 4.28 0.07 0.00 0.00 -0.98 -3.12 105.19 103.69 1tur n GLY 25 Ca 0.07 -2.11 0.06 0.00 0.00 0.00 0.00 46.02 44.04 1tur n GLY 25 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1tur n SER 26 N -0.99 0.42 0.32 1.61 2.88 0.12 -2.60 113.62 115.37 1tur n SER 26 Ca 0.00 0.17 0.21 0.00 -1.33 0.00 0.00 58.87 57.92 1tur n SER 26 Cb 0.00 1.07 1.14 0.00 -0.75 0.00 0.00 64.21 65.66 1tur n SER 26 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 1tur h ASP 27 N 0.00 0.00 -0.95 -3.46 2.03 -1.97 -3.45 116.42 108.61 1tur h ASP 27 Ca -0.10 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.05 1tur h ASP 27 Cb 1.27 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.75 1tur h ASP 27 CO 0.01 0.00 -0.18 -3.20 -1.03 0.00 0.00 179.24 174.84 1tur n ASN 28 N -2.97 -2.98 -4.95 4.15 5.15 -1.07 -5.05 115.26 107.54 1tur n ASN 28 Ca -0.03 0.03 -0.23 0.00 -0.60 0.00 0.00 54.58 53.75 1tur n ASN 28 Cb 0.08 -2.10 0.01 0.00 -0.53 0.00 0.00 39.78 37.24 1tur n ASN 28 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1tur s LYS 29 N -4.08 3.09 0.02 1.20 2.20 -1.26 -4.92 119.74 116.00 1tur s LYS 29 Ca 0.00 -0.45 -0.00 0.00 -0.36 0.00 0.00 55.97 55.16 1tur s LYS 29 Cb 0.00 -2.55 -0.04 0.00 -1.51 0.00 0.00 37.83 33.73 1tur s LYS 29 CO 0.00 -0.26 0.12 0.99 -0.36 0.00 0.00 175.35 175.84 1tur s THR 30 N -2.56 4.92 0.02 3.43 2.01 -1.26 -2.32 115.64 119.87 1tur s THR 30 Ca 0.48 -0.44 0.08 0.00 0.31 0.00 0.00 61.69 62.13 1tur s THR 30 Cb -0.10 -3.31 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 1tur s THR 30 CO 0.38 0.27 -0.24 -0.31 -0.69 0.00 0.00 174.62 174.03 1tur s TYR 31 N -1.31 2.39 0.40 4.92 2.02 -0.51 -4.99 117.35 120.27 1tur s TYR 31 Ca 0.27 -0.38 0.09 0.00 -0.37 0.00 0.00 57.07 56.68 1tur s TYR 31 Cb -0.12 -1.46 0.84 0.00 -0.40 0.00 0.00 41.96 40.82 1tur s TYR 31 CO 0.19 0.10 1.99 0.78 -1.57 0.00 0.00 175.55 177.03 1tur h GLY 32 N 5.02 0.39 0.00 0.71 0.00 -1.90 -2.02 103.07 105.28 1tur h GLY 32 Ca -0.46 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.69 1tur h GLY 32 CO 0.46 0.18 0.00 1.16 0.00 0.00 0.00 176.54 178.34 1tur n ASN 33 N -4.38 0.00 0.06 0.19 6.94 -1.26 -2.29 115.26 114.52 1tur n ASN 33 Ca 0.01 -0.16 0.11 0.00 -0.02 0.00 0.00 54.58 54.52 1tur n ASN 33 Cb 0.17 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.57 1tur n ASN 33 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 1tur n LYS 34 N 0.00 0.52 0.09 -3.83 -0.00 -1.26 -0.85 118.16 112.82 1tur n LYS 34 Ca 0.00 0.02 -0.13 0.00 -0.00 0.00 0.00 58.31 58.20 1tur n LYS 34 Cb 0.00 -1.70 -0.08 0.00 -0.00 0.00 0.00 35.03 33.26 1tur n LYS 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1tur h ASN 36 N -0.21 0.00 0.76 0.00 2.35 -1.96 -1.09 115.58 115.43 1tur h ASN 36 Ca -0.02 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 1tur h ASN 36 Cb 0.17 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.55 1tur h ASN 36 CO 0.02 0.41 -0.36 0.15 -1.65 0.00 0.00 177.43 176.00 1tur h PHE 37 N 0.00 -0.94 0.00 1.19 3.57 -1.04 -2.55 116.94 117.17 1tur h PHE 37 Ca -0.08 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.40 1tur h PHE 37 Cb 1.38 0.31 -0.00 0.00 2.79 0.00 0.00 35.95 40.43 1tur h PHE 37 CO 0.00 -0.57 -0.04 0.00 -2.23 0.00 0.00 178.31 175.48 1tur h ASN 39 N 0.00 -0.96 0.08 0.00 2.35 -1.30 -0.93 115.58 114.82 1tur h ASN 39 Ca -0.00 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1tur h ASN 39 Cb 1.01 0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.63 1tur h ASN 39 CO 0.00 -0.66 0.00 0.00 -1.65 0.00 0.00 177.43 175.13 1tur n ALA 40 N -2.62 1.11 -0.06 -0.83 0.00 -0.93 -0.23 120.51 116.95 1tur n ALA 40 Ca -0.14 0.12 -0.05 0.00 0.00 0.00 0.00 53.44 53.37 1tur n ALA 40 Cb 0.45 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 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 0.35 0.00 0.00 2.07 -1.17 -2.75 116.25 114.75 1tur h VAL 41 Ca 0.00 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.22 1tur h VAL 41 Cb 0.04 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1tur h VAL 41 CO 0.00 0.12 0.00 0.55 0.02 0.00 0.00 177.57 178.26 1tur n VAL 42 N -4.69 0.85 0.04 2.57 3.14 -0.37 -1.20 118.33 118.67 1tur n VAL 42 Ca -0.05 0.28 -0.05 0.00 -2.96 0.00 0.00 64.34 61.55 1tur n VAL 42 Cb 0.18 -1.22 -0.10 0.00 -1.06 0.00 0.00 33.84 31.64 1tur n VAL 42 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1tur h GLU 43 N 0.00 0.00 -0.71 1.45 4.39 -0.72 -3.35 114.58 115.64 1tur h GLU 43 Ca 0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 1tur h GLU 43 Cb 0.33 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.93 1tur h GLU 43 CO 0.00 0.65 0.09 -1.13 -1.16 0.00 0.00 179.01 177.47 1tur n SER 44 N -3.16 4.71 -2.28 1.42 3.41 -0.34 -4.91 113.62 112.48 1tur n SER 44 Ca -0.07 -2.87 -0.11 0.00 -0.26 0.00 0.00 58.87 55.56 1tur n SER 44 Cb 0.93 -0.68 0.05 0.00 -0.26 0.00 0.00 64.21 64.25 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 0.28 -3.17 -2.17 4.04 4.13 -1.18 -3.57 115.26 113.63 1tur n ASN 45 Ca 0.28 -0.32 -0.19 0.00 1.68 0.00 0.00 54.58 56.02 1tur n ASN 45 Cb 1.11 -3.03 -0.01 0.00 -1.54 0.00 0.00 39.78 36.31 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 -1.20 -0.39 0.50 7.41 0.00 -1.16 -4.86 105.19 105.49 1tur n GLY 46 Ca -0.08 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 1tur n GLY 46 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1tur n THR 47 N -4.00 1.16 -1.92 2.61 5.66 -1.23 -5.01 114.28 111.55 1tur n THR 47 Ca -0.23 0.04 -0.41 0.00 -3.05 0.00 0.00 64.05 60.40 1tur n THR 47 Cb 0.67 -1.89 -0.01 0.00 -1.55 0.00 0.00 70.33 67.55 1tur n THR 47 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1tur s LEU 48 N -7.23 4.36 0.17 1.09 2.96 -1.26 -4.99 118.68 113.78 1tur s LEU 48 Ca -0.19 2.87 -0.14 0.00 -0.22 0.00 0.00 54.13 56.45 1tur s LEU 48 Cb 0.05 -3.65 0.02 0.00 0.50 0.00 0.00 46.19 43.11 1tur s LEU 48 CO 0.27 -0.76 0.41 0.42 -1.32 0.00 0.00 176.35 175.37 1tur s THR 49 N -0.74 0.05 -0.23 3.68 -4.23 -1.26 -4.73 115.64 108.18 1tur s THR 49 Ca 0.55 -0.97 -0.10 0.00 -1.18 0.00 0.00 61.69 59.99 1tur s THR 49 Cb -0.44 -1.59 -0.05 0.00 1.34 0.00 0.00 72.50 71.76 1tur s THR 49 CO 0.54 -0.23 0.14 -0.22 -0.54 0.00 0.00 174.62 174.31 1tur s LEU 50 N -2.89 4.05 0.19 4.79 0.20 -1.26 0.13 118.68 123.88 1tur s LEU 50 Ca 0.11 0.10 0.05 0.00 0.69 0.00 0.00 54.13 55.07 1tur s LEU 50 Cb 0.01 -2.08 0.08 0.00 -0.43 0.00 0.00 46.19 43.78 1tur s LEU 50 CO -0.04 0.08 1.44 -1.28 -0.29 0.00 0.00 176.35 176.27 1tur h SER 51 N 7.41 0.17 -4.33 3.68 0.87 -1.70 -3.47 113.55 116.18 1tur h SER 51 Ca -0.38 -0.13 0.19 0.00 -1.23 0.00 0.00 61.79 60.24 1tur h SER 51 Cb 1.17 -0.05 -0.18 0.00 -0.44 0.00 0.00 62.40 62.90 1tur h SER 51 CO 0.66 0.89 0.69 -1.38 -0.53 0.00 0.00 176.83 177.16 1tur s HIS 52 N -3.31 -0.22 0.00 2.24 0.00 -1.26 -4.96 115.29 107.78 1tur s HIS 52 Ca -0.02 0.17 0.00 0.00 -3.00 0.00 0.00 55.06 52.20 1tur s HIS 52 Cb 0.11 0.52 0.00 0.00 -4.00 0.00 0.00 32.58 29.21 1tur s HIS 52 CO 0.81 -0.32 0.00 1.19 -1.00 0.00 0.00 174.74 175.41 1tur n PHE 53 N -0.06 -2.04 -1.78 0.38 3.01 -1.26 -2.42 117.46 113.29 1tur n PHE 53 Ca -0.03 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.60 1tur n PHE 53 Cb 0.59 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.02 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 0.12 -1.82 3.90 1.37 0.00 0.28 -4.36 105.19 104.68 1tur n GLY 54 Ca 0.00 -1.15 -0.28 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.95 3.63 0.00 1.61 0.00 -1.24 -2.20 119.74 119.59 1tur s LYS 55 Ca 0.00 0.14 0.26 0.00 0.00 0.00 0.00 55.97 56.37 1tur s LYS 55 Cb 0.00 -2.50 1.56 0.00 0.00 0.00 0.00 37.83 36.89 1tur s LYS 55 CO 0.00 0.02 1.91 0.00 0.00 0.00 0.00 175.35 177.28