#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 2.88 -0.27 1.96 0.00 -1.26 -4.56 121.76 120.52 1tur s ALA 2 Ca 0.00 -1.16 -0.02 0.00 0.00 0.00 0.00 51.96 50.78 1tur s ALA 2 Cb 0.00 -4.14 0.01 0.00 0.00 0.00 0.00 23.12 18.99 1tur s ALA 2 CO 0.00 -2.98 0.04 0.00 0.00 0.00 0.00 175.76 172.82 1tur n ALA 3 N 8.87 -3.50 -1.92 0.00 0.00 -1.26 -4.93 120.51 117.76 1tur n ALA 3 Ca 0.05 0.80 -0.28 0.00 0.00 0.00 0.00 53.44 54.01 1tur n ALA 3 Cb 0.49 -1.59 0.03 0.00 0.00 0.00 0.00 19.45 18.38 1tur n ALA 3 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1tur n VAL 4 N 0.83 2.86 -3.97 0.00 0.24 -1.26 -4.89 118.33 112.13 1tur n VAL 4 Ca -0.07 -4.03 -0.33 0.00 -2.04 0.00 0.00 64.34 57.86 1tur n VAL 4 Cb 0.12 -1.17 -0.14 0.00 -1.47 0.00 0.00 33.84 31.17 1tur n VAL 4 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1tur s SER 5 N -2.95 4.76 -0.13 -1.34 1.04 -1.26 -4.78 113.70 109.04 1tur s SER 5 Ca 0.54 -1.60 -0.01 0.00 0.48 0.00 0.00 55.95 55.35 1tur s SER 5 Cb 0.44 -1.65 -0.02 0.00 0.10 0.00 0.00 66.02 64.88 1tur s SER 5 CO -0.05 -0.30 -0.08 -0.69 0.98 0.00 0.00 173.24 173.11 1tur s VAL 6 N 1.11 3.56 0.22 5.02 1.01 -1.26 -5.10 120.40 124.97 1tur s VAL 6 Ca -0.01 -0.49 -0.23 0.00 0.00 0.00 0.00 61.98 61.25 1tur s VAL 6 Cb -0.20 -2.52 -0.08 0.00 0.00 0.00 0.00 36.38 33.58 1tur s VAL 6 CO -0.04 0.53 0.78 -1.81 0.00 0.00 0.00 175.10 174.56 1tur s ASP 7 N 0.11 7.23 -0.03 3.32 1.01 -1.26 -4.97 116.67 122.07 1tur s ASP 7 Ca -0.03 1.58 0.05 0.00 0.71 0.00 0.00 52.55 54.86 1tur s ASP 7 Cb -0.14 -2.48 0.08 0.00 1.01 0.00 0.00 42.92 41.39 1tur s ASP 7 CO 0.03 0.08 0.95 0.00 0.21 0.00 0.00 175.17 176.44 1tur h SER 9 N 0.00 0.00 -0.76 0.00 0.02 -1.96 -3.30 113.55 107.55 1tur h SER 9 Ca 0.00 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.43 1tur h SER 9 Cb 1.13 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 63.35 1tur h SER 9 CO 0.00 0.09 -0.10 -0.62 -1.14 0.00 0.00 176.83 175.06 1tur n GLU 10 N -3.44 2.95 -4.10 3.45 4.71 -1.26 -5.01 120.64 117.94 1tur n GLU 10 Ca -0.01 -3.68 -0.11 0.00 -0.01 0.00 0.00 57.16 53.35 1tur n GLU 10 Cb 0.25 -2.19 -0.11 0.00 -1.01 0.00 0.00 31.44 28.38 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 -3.61 0.72 0.75 -0.32 1.51 -1.25 -4.59 117.35 110.57 1tur s TYR 11 Ca 0.54 -0.73 -0.07 0.00 -1.01 0.00 0.00 57.07 55.81 1tur s TYR 11 Cb 0.44 -0.43 0.11 0.00 -0.11 0.00 0.00 41.96 41.97 1tur s TYR 11 CO 0.02 -0.15 1.06 -1.25 -1.11 0.00 0.00 175.55 174.12 1tur s PRO 12 N -2.74 1.76 0.42 -1.71 0.05 -1.26 -4.92 135.00 126.60 1tur s PRO 12 Ca 0.00 -0.54 0.08 0.00 0.05 0.00 0.00 61.00 60.59 1tur s PRO 12 Cb -0.02 -2.16 -0.01 0.00 0.05 0.00 0.00 34.50 32.36 1tur s PRO 12 CO -0.03 -1.51 0.42 0.15 0.05 0.00 0.00 177.00 176.08 1tur s LYS 13 N -5.33 2.58 -1.28 4.56 1.02 -1.26 -5.02 119.74 115.01 1tur s LYS 13 Ca 0.64 -1.50 -0.06 0.00 0.02 0.00 0.00 55.97 55.08 1tur s LYS 13 Cb -0.08 -2.44 0.15 0.00 -0.52 0.00 0.00 37.83 34.94 1tur s LYS 13 CO 0.46 -0.22 2.21 -0.35 -0.92 0.00 0.00 175.35 176.52 1tur n PRO 14 N -1.61 4.49 -0.97 -1.68 -0.04 -1.26 -4.99 135.00 128.94 1tur n PRO 14 Ca 0.04 -3.63 0.10 0.00 -0.04 0.00 0.00 63.50 59.97 1tur n PRO 14 Cb 0.61 -2.67 -0.05 0.00 -0.04 0.00 0.00 33.50 31.35 1tur n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1tur n ALA 15 N 1.94 -2.35 -2.33 0.55 0.00 -1.26 -5.08 120.51 111.99 1tur n ALA 15 Ca 0.55 0.58 -0.17 0.00 0.00 0.00 0.00 53.44 54.40 1tur n ALA 15 Cb 0.27 -1.07 -0.10 0.00 0.00 0.00 0.00 19.45 18.55 1tur n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tur s THR 17 N -3.66 3.54 -0.27 0.00 -4.23 -1.26 -4.96 115.64 104.80 1tur s THR 17 Ca 0.35 1.47 0.09 0.00 -1.18 0.00 0.00 61.69 62.43 1tur s THR 17 Cb 0.08 -3.91 0.47 0.00 1.34 0.00 0.00 72.50 70.47 1tur s THR 17 CO 0.12 0.29 1.35 0.00 -0.54 0.00 0.00 174.62 175.85 1tur n LEU 18 N 0.94 3.82 -4.76 4.79 -0.00 -1.26 -4.94 117.00 115.60 1tur n LEU 18 Ca 0.00 -3.99 -0.40 0.00 -0.00 0.00 0.00 56.01 51.62 1tur n LEU 18 Cb 0.46 -0.57 -0.05 0.00 -0.00 0.00 0.00 43.42 43.26 1tur n LEU 18 CO 0.52 1.45 0.72 -1.83 -0.00 0.00 0.00 177.39 178.25 1tur s GLU 19 N -3.32 4.73 -0.28 1.47 1.03 -1.26 -5.00 118.70 116.08 1tur s GLU 19 Ca 0.44 1.64 -0.14 0.00 0.03 0.00 0.00 54.97 56.93 1tur s GLU 19 Cb 0.40 -3.21 -0.04 0.00 -0.80 0.00 0.00 34.13 30.48 1tur s GLU 19 CO -0.02 0.35 0.33 -0.47 -1.33 0.00 0.00 175.26 174.12 1tur s TYR 20 N -1.19 3.24 -0.41 4.83 5.04 -1.26 -4.73 117.35 122.87 1tur s TYR 20 Ca 0.43 0.32 0.04 0.00 -2.44 0.00 0.00 57.07 55.42 1tur s TYR 20 Cb -0.29 -2.53 0.17 0.00 0.35 0.00 0.00 41.96 39.65 1tur s TYR 20 CO 0.36 -0.22 0.36 1.03 -1.34 0.00 0.00 175.55 175.74 1tur s ARG 21 N 2.00 0.82 0.81 4.97 0.52 -1.01 -5.07 118.95 121.99 1tur s ARG 21 Ca 0.13 -1.70 -0.13 0.00 -0.52 0.00 0.00 55.73 53.50 1tur s ARG 21 Cb -0.16 -1.15 0.07 0.00 0.52 0.00 0.00 34.95 34.23 1tur s ARG 21 CO 0.10 -1.33 1.14 -0.35 0.02 0.00 0.00 175.30 174.88 1tur n PRO 22 N 3.24 0.17 -3.84 3.54 -0.04 -1.25 -4.27 135.00 132.55 1tur n PRO 22 Ca 0.23 0.13 -0.19 0.00 -0.04 0.00 0.00 63.50 63.63 1tur n PRO 22 Cb 0.47 -2.38 -0.17 0.00 -0.04 0.00 0.00 33.50 31.37 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 -5.18 0.78 0.23 1.53 1.02 -0.98 0.98 118.68 117.06 1tur s LEU 23 Ca 0.72 -0.02 -0.04 0.00 0.02 0.00 0.00 54.13 54.81 1tur s LEU 23 Cb -0.29 -0.28 -0.05 0.00 0.02 0.00 0.00 46.19 45.59 1tur s LEU 23 CO 0.52 -0.16 0.47 0.00 0.02 0.00 0.00 176.35 177.20 1tur n GLY 25 N -0.57 3.27 0.16 0.00 0.00 -0.36 -2.43 105.19 105.26 1tur n GLY 25 Ca -0.02 -2.24 -0.20 0.00 0.00 0.00 0.00 46.02 43.56 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 0.33 0.71 0.00 1.61 0.87 -1.41 -0.59 113.55 115.07 1tur h SER 26 Ca -0.14 -0.79 0.00 0.00 -1.23 0.00 0.00 61.79 59.63 1tur h SER 26 Cb 0.49 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1tur h SER 26 CO 0.23 1.41 0.03 -0.90 -0.53 0.00 0.00 176.83 177.08 1tur n ASP 27 N -4.02 0.42 -0.81 6.23 5.68 -1.26 -4.79 116.55 118.00 1tur n ASP 27 Ca -0.12 0.68 -0.07 0.00 -0.50 0.00 0.00 54.79 54.78 1tur n ASP 27 Cb 0.81 -0.72 -0.01 0.00 -1.14 0.00 0.00 41.12 40.06 1tur n ASP 27 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1tur n ASN 28 N -2.06 -2.85 -4.81 -1.12 5.15 -0.23 -5.05 115.26 104.28 1tur n ASN 28 Ca -0.01 0.01 -0.32 0.00 -0.60 0.00 0.00 54.58 53.67 1tur n ASN 28 Cb 0.06 -2.06 0.03 0.00 -0.53 0.00 0.00 39.78 37.29 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 -4.19 3.09 0.29 1.20 2.20 -1.26 -4.75 119.74 116.31 1tur s LYS 29 Ca 0.00 1.05 0.06 0.00 -0.36 0.00 0.00 55.97 56.72 1tur s LYS 29 Cb 0.00 -2.01 -0.02 0.00 -1.51 0.00 0.00 37.83 34.29 1tur s LYS 29 CO 0.00 -0.98 0.41 0.95 -0.36 0.00 0.00 175.35 175.36 1tur s THR 30 N -2.82 4.63 0.01 3.43 -4.23 -1.26 -1.22 115.64 114.17 1tur s THR 30 Ca 0.60 -1.02 -0.04 0.00 -1.18 0.00 0.00 61.69 60.05 1tur s THR 30 Cb -0.15 -3.62 -0.01 0.00 1.34 0.00 0.00 72.50 70.07 1tur s THR 30 CO 0.48 -0.24 0.07 -0.31 -0.54 0.00 0.00 174.62 174.07 1tur s TYR 31 N -2.09 0.11 0.17 3.99 2.02 -0.47 -4.98 117.35 116.10 1tur s TYR 31 Ca 0.39 -0.24 -0.14 0.00 -0.37 0.00 0.00 57.07 56.71 1tur s TYR 31 Cb -0.09 -0.09 0.07 0.00 -0.40 0.00 0.00 41.96 41.44 1tur s TYR 31 CO 0.30 -0.23 1.82 0.78 -1.57 0.00 0.00 175.55 176.66 1tur h GLY 32 N 4.59 0.77 0.00 0.71 0.00 -1.87 -2.60 103.07 104.68 1tur h GLY 32 Ca -0.31 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.72 1tur h GLY 32 CO 0.41 0.30 0.00 1.16 0.00 0.00 0.00 176.54 178.41 1tur n ASN 33 N -4.69 0.00 0.15 0.19 0.23 -1.26 -2.41 115.26 107.47 1tur n ASN 33 Ca 0.03 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.19 1tur n ASN 33 Cb 0.04 0.00 0.56 0.00 -2.08 0.00 0.00 39.78 38.29 1tur n ASN 33 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1tur n LYS 34 N 0.00 0.16 -0.06 -3.83 -0.00 -1.26 -0.18 118.16 112.99 1tur n LYS 34 Ca 0.00 0.57 -0.04 0.00 -0.00 0.00 0.00 58.31 58.84 1tur n LYS 34 Cb 0.00 -1.93 -0.03 0.00 -0.00 0.00 0.00 35.03 33.07 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 -1.00 0.00 0.88 0.00 2.35 -1.89 0.87 115.58 116.79 1tur h ASN 36 Ca -0.01 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 1tur h ASN 36 Cb 0.28 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.66 1tur h ASN 36 CO -0.01 0.24 -0.42 0.15 -1.65 0.00 0.00 177.43 175.74 1tur h PHE 37 N 0.00 -1.09 0.00 1.19 3.57 -0.68 -2.90 116.94 117.03 1tur h PHE 37 Ca -0.00 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 1tur h PHE 37 Cb 0.90 0.36 -0.00 0.00 2.79 0.00 0.00 35.95 40.00 1tur h PHE 37 CO 0.00 -0.68 -0.04 0.00 -2.23 0.00 0.00 178.31 175.36 1tur h ASN 39 N 0.00 -0.42 1.14 0.00 2.35 -0.92 -0.83 115.58 116.90 1tur h ASN 39 Ca -0.00 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1tur h ASN 39 Cb 0.69 0.11 -0.00 0.00 0.05 0.00 0.00 38.32 39.16 1tur h ASN 39 CO 0.01 -0.23 -0.00 0.00 -1.65 0.00 0.00 177.43 175.55 1tur h ALA 40 N 0.04 1.00 0.25 -0.83 0.00 -0.99 -0.82 119.26 117.92 1tur h ALA 40 Ca -0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1tur h ALA 40 Cb 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1tur h ALA 40 CO 0.08 0.00 -0.12 0.28 0.00 0.00 0.00 179.25 179.49 1tur h VAL 41 N 0.00 0.62 0.00 0.00 2.07 -1.14 -2.45 116.25 115.35 1tur h VAL 41 Ca -0.00 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 66.57 1tur h VAL 41 Cb 0.57 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1tur h VAL 41 CO 0.00 0.15 -0.21 1.62 0.02 0.00 0.00 177.57 179.15 1tur h VAL 42 N -0.91 0.52 0.71 2.57 3.04 -0.88 -0.74 116.25 120.56 1tur h VAL 42 Ca -0.03 -1.08 -0.03 0.00 -1.01 0.00 0.00 66.70 64.54 1tur h VAL 42 Cb 0.50 1.75 0.01 0.00 -2.01 0.00 0.00 31.29 31.54 1tur h VAL 42 CO 0.06 0.21 -0.34 -0.08 -1.01 0.00 0.00 177.57 176.40 1tur h GLU 43 N 0.00 -0.92 0.00 4.17 4.81 -1.26 -3.18 114.58 118.20 1tur h GLU 43 Ca -0.00 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1tur h GLU 43 Cb 0.74 0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.33 1tur h GLU 43 CO 0.03 -0.59 0.00 0.66 -0.73 0.00 0.00 179.01 178.38 1tur h SER 44 N -1.10 0.00 -3.81 1.04 4.64 -0.77 -3.46 113.55 110.09 1tur h SER 44 Ca -0.10 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.08 1tur h SER 44 Cb 0.76 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.93 1tur h SER 44 CO 0.16 0.00 -0.37 -3.20 -0.87 0.00 0.00 176.83 172.55 1tur n ASN 45 N -2.91 -2.56 0.00 4.97 2.85 -0.39 -4.00 115.26 113.23 1tur n ASN 45 Ca -0.03 -0.30 0.00 0.00 -0.11 0.00 0.00 54.58 54.14 1tur n ASN 45 Cb 0.06 -2.66 0.00 0.00 1.24 0.00 0.00 39.78 38.42 1tur n ASN 45 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1tur n GLY 46 N -1.14 3.16 0.19 8.20 0.00 -1.03 -4.89 105.19 109.68 1tur n GLY 46 Ca -0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 1tur n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tur h THR 47 N 0.00 1.34 -3.68 2.61 1.03 -1.80 -3.40 112.91 109.01 1tur h THR 47 Ca 0.00 -1.73 -0.50 0.00 -0.01 0.00 0.00 66.41 64.17 1tur h THR 47 Cb 0.00 1.82 -0.02 0.00 -1.07 0.00 0.00 68.15 68.88 1tur h THR 47 CO 0.00 0.52 0.36 -0.22 -0.01 0.00 0.00 175.52 176.16 1tur s LEU 48 N -8.12 4.59 0.10 0.00 2.96 -1.26 -4.93 118.68 112.02 1tur s LEU 48 Ca -0.04 1.90 -0.12 0.00 -0.22 0.00 0.00 54.13 55.65 1tur s LEU 48 Cb 0.13 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 43.23 1tur s LEU 48 CO 0.79 0.07 0.27 0.42 -1.32 0.00 0.00 176.35 176.58 1tur s THR 49 N -0.76 0.11 -0.36 3.68 -4.23 -1.26 -4.81 115.64 108.01 1tur s THR 49 Ca 0.43 -0.93 -0.21 0.00 -1.18 0.00 0.00 61.69 59.80 1tur s THR 49 Cb -0.25 -1.26 0.01 0.00 1.34 0.00 0.00 72.50 72.34 1tur s THR 49 CO 0.31 -0.52 0.69 -0.22 -0.54 0.00 0.00 174.62 174.35 1tur s LEU 50 N -2.81 4.22 0.09 4.79 2.96 -1.26 -1.03 118.68 125.64 1tur s LEU 50 Ca 0.04 0.19 0.16 0.00 -0.22 0.00 0.00 54.13 54.30 1tur s LEU 50 Cb 0.04 -2.87 -0.11 0.00 0.50 0.00 0.00 46.19 43.75 1tur s LEU 50 CO -0.11 -0.65 0.94 -1.28 -1.32 0.00 0.00 176.35 173.92 1tur h SER 51 N 8.49 0.00 0.00 3.68 0.87 -1.69 -3.47 113.55 121.42 1tur h SER 51 Ca -0.26 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 1tur h SER 51 Cb 1.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1tur h SER 51 CO 0.86 0.62 0.00 0.00 -0.53 0.00 0.00 176.83 177.78 1tur n HIS 52 N -2.98 0.00 -0.33 2.24 -0.00 -1.24 -5.00 115.22 107.91 1tur n HIS 52 Ca -0.08 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.34 1tur n HIS 52 Cb 0.84 0.00 0.29 0.00 -0.00 0.00 0.00 29.99 31.12 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 -0.62 0.13 -1.40 0.40 -1.26 -2.23 117.98 111.00 1tur s PHE 53 Ca 0.00 0.61 0.00 0.00 -0.60 0.00 0.00 56.93 56.94 1tur s PHE 53 Cb 0.00 -2.87 0.00 0.00 0.51 0.00 0.00 43.02 40.66 1tur s PHE 53 CO 0.00 -5.03 0.00 0.41 0.70 0.00 0.00 175.22 171.30 1tur n GLY 54 N 1.53 -1.36 3.95 4.36 0.00 0.28 -4.50 105.19 109.44 1tur n GLY 54 Ca 0.12 -1.08 -0.23 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.89 3.32 0.00 1.61 0.00 -1.25 -2.38 119.74 120.15 1tur s LYS 55 Ca 0.00 -0.46 0.03 0.00 0.00 0.00 0.00 55.97 55.54 1tur s LYS 55 Cb 0.00 -2.65 0.18 0.00 0.00 0.00 0.00 37.83 35.36 1tur s LYS 55 CO 0.00 0.02 0.66 0.00 0.00 0.00 0.00 175.35 176.04