#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2s s SER 8 N 0.00 6.36 0.13 1.45 1.04 -1.26 -4.30 113.70 117.13 2k2s s SER 8 Ca 0.00 -1.99 0.00 0.00 0.48 0.00 0.00 55.95 54.44 2k2s s SER 8 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2k2s s SER 8 CO 0.00 -1.66 0.00 1.21 0.98 0.00 0.00 173.24 173.77 2k2s n GLU 9 N 8.52 0.00 -3.21 4.02 2.13 -1.26 -5.11 120.64 125.72 2k2s n GLU 9 Ca 0.44 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.92 2k2s n GLU 9 Cb 0.47 -0.14 -0.06 0.00 0.27 0.00 0.00 31.44 31.98 2k2s n GLU 9 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2k2s s THR 10 N -1.64 4.72 0.57 6.31 -4.23 -1.26 -5.08 115.64 115.03 2k2s s THR 10 Ca 0.00 0.98 -0.15 0.00 -1.18 0.00 0.00 61.69 61.34 2k2s s THR 10 Cb 0.00 -3.73 -0.05 0.00 1.34 0.00 0.00 72.50 70.06 2k2s s THR 10 CO 0.00 0.07 1.02 -2.16 -0.54 0.00 0.00 174.62 173.01 2k2s s PRO 11 N -2.36 3.63 -0.25 3.99 0.04 -1.26 -4.98 135.00 133.82 2k2s s PRO 11 Ca 0.45 0.96 -0.28 0.00 0.04 0.00 0.00 61.00 62.17 2k2s s PRO 11 Cb -0.14 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 2k2s s PRO 11 CO 0.20 -0.54 2.00 0.00 0.04 0.00 0.00 177.00 178.69 2k2s s ALA 12 N -2.75 2.87 0.00 8.56 0.00 -1.26 -4.90 121.76 124.27 2k2s s ALA 12 Ca 0.59 0.58 0.00 0.00 0.00 0.00 0.00 51.96 53.13 2k2s s ALA 12 Cb -0.12 -4.02 0.00 0.00 0.00 0.00 0.00 23.12 18.98 2k2s s ALA 12 CO 0.40 -2.61 0.58 0.00 0.00 0.00 0.00 175.76 174.14 2k2s n ALA 13 N 10.69 -0.03 0.25 0.00 0.00 -1.26 0.22 120.51 130.39 2k2s n ALA 13 Ca 0.26 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.81 2k2s n ALA 13 Cb 0.45 0.20 0.64 0.00 0.00 0.00 0.00 19.45 20.75 2k2s n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k2s h SER 15 N 0.00 0.00 0.61 0.00 0.87 -1.81 -3.11 113.55 110.11 2k2s h SER 15 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k2s h SER 15 Cb 0.41 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2k2s h SER 15 CO 0.02 0.64 -0.45 -1.54 -0.53 0.00 0.00 176.83 174.96 2k2s n SER 16 N -3.76 0.46 -1.57 6.23 3.41 0.13 -4.98 113.62 113.55 2k2s n SER 16 Ca -0.01 -0.11 -0.00 0.00 -0.26 0.00 0.00 58.87 58.49 2k2s n SER 16 Cb 0.64 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.73 2k2s n SER 16 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2k2s n ASN 17 N -1.58 -2.26 -0.06 4.04 4.13 -1.16 -5.05 115.26 113.32 2k2s n ASN 17 Ca 0.05 0.00 -0.04 0.00 1.68 0.00 0.00 54.58 56.27 2k2s n ASN 17 Cb 0.35 -1.19 -0.01 0.00 -1.54 0.00 0.00 39.78 37.38 2k2s n ASN 17 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2k2s n PRO 18 N -0.96 0.40 -0.47 3.52 -0.04 -1.25 -4.15 135.00 132.05 2k2s n PRO 18 Ca 0.00 0.46 -0.09 0.00 -0.04 0.00 0.00 63.50 63.84 2k2s n PRO 18 Cb 0.44 -1.55 0.06 0.00 -0.04 0.00 0.00 33.50 32.40 2k2s n PRO 18 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k2s n GLY 20 N 0.06 4.59 0.80 0.00 0.00 -1.26 -4.26 105.19 105.11 2k2s n GLY 20 Ca 0.20 -2.08 -0.07 0.00 0.00 0.00 0.00 46.02 44.08 2k2s n GLY 20 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k2s n PRO 21 N -0.62 -1.63 0.00 1.61 -0.04 -1.26 -4.88 135.00 128.19 2k2s n PRO 21 Ca 0.29 -0.39 0.06 0.00 -0.04 0.00 0.00 63.50 63.42 2k2s n PRO 21 Cb 0.88 -0.38 0.36 0.00 -0.04 0.00 0.00 33.50 34.32 2k2s n PRO 21 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k2s n GLU 22 N -2.34 0.78 -0.03 0.54 4.71 -1.26 -3.64 120.64 119.40 2k2s n GLU 22 Ca 0.03 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.11 2k2s n GLU 22 Cb 0.14 -1.25 -0.02 0.00 -1.01 0.00 0.00 31.44 29.30 2k2s n GLU 22 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2k2s n ALA 23 N -0.75 2.55 -0.75 0.62 0.00 -1.26 -5.09 120.51 115.83 2k2s n ALA 23 Ca 0.09 -0.27 -0.29 0.00 0.00 0.00 0.00 53.44 52.97 2k2s n ALA 23 Cb 0.04 0.40 0.20 0.00 0.00 0.00 0.00 19.45 20.10 2k2s n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k2s s ALA 24 N -2.13 0.48 -0.13 0.00 0.00 -1.24 -3.96 121.76 114.79 2k2s s ALA 24 Ca -0.10 0.05 -0.01 0.00 0.00 0.00 0.00 51.96 51.90 2k2s s ALA 24 Cb 0.04 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.80 2k2s s ALA 24 CO 0.12 -3.23 -0.13 0.41 0.00 0.00 0.00 175.76 172.94 2k2s n GLY 25 N 0.15 -0.18 3.11 0.00 0.00 0.13 -4.56 105.19 103.84 2k2s n GLY 25 Ca 0.06 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 2k2s n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k2s s THR 26 N -2.25 0.09 -0.02 2.61 2.01 0.17 -4.94 115.64 113.31 2k2s s THR 26 Ca -0.17 -0.73 0.02 0.00 0.31 0.00 0.00 61.69 61.12 2k2s s THR 26 Cb 0.05 -0.47 0.00 0.00 0.01 0.00 0.00 72.50 72.09 2k2s s THR 26 CO 0.28 -0.40 -0.07 0.00 -0.69 0.00 0.00 174.62 173.74 2k2s s LYS 28 N 0.13 0.17 0.29 0.00 2.20 0.16 -5.00 119.74 117.69 2k2s s LYS 28 Ca -0.02 0.50 -0.29 0.00 -0.36 0.00 0.00 55.97 55.81 2k2s s LYS 28 Cb -0.07 -0.55 -0.09 0.00 -1.51 0.00 0.00 37.83 35.61 2k2s s LYS 28 CO -0.00 -0.46 1.04 -1.21 -0.36 0.00 0.00 175.35 174.35 2k2s s GLU 29 N 2.38 4.64 0.00 4.03 2.02 -1.26 0.18 118.70 130.69 2k2s s GLU 29 Ca 0.05 1.65 0.00 0.00 0.02 0.00 0.00 54.97 56.68 2k2s s GLU 29 Cb -0.14 -3.11 0.00 0.00 0.10 0.00 0.00 34.13 30.99 2k2s s GLU 29 CO -0.10 0.26 0.00 0.25 0.02 0.00 0.00 175.26 175.69 2k2s n THR 30 N 1.07 0.00 1.18 3.63 -2.24 -0.46 -4.85 114.28 112.62 2k2s n THR 30 Ca -0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.90 2k2s n THR 30 Cb 0.46 -0.22 0.31 0.00 -2.10 0.00 0.00 70.33 68.79 2k2s n THR 30 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2k2s n ASN 31 N -0.93 1.06 -0.45 3.42 5.15 -1.26 -4.19 115.26 118.06 2k2s n ASN 31 Ca 0.00 -0.88 0.03 0.00 -0.60 0.00 0.00 54.58 53.14 2k2s n ASN 31 Cb 0.00 0.20 0.05 0.00 -0.53 0.00 0.00 39.78 39.50 2k2s n ASN 31 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2k2s n SER 32 N -0.71 0.80 0.00 1.20 7.64 -1.26 -5.08 113.62 116.20 2k2s n SER 32 Ca 0.11 -2.37 0.00 0.00 1.01 0.00 0.00 58.87 57.61 2k2s n SER 32 Cb 0.36 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 2k2s n SER 32 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k2s n GLY 33 N -0.41 0.67 3.63 0.23 0.00 -1.26 -5.10 105.19 102.95 2k2s n GLY 33 Ca 0.06 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 2k2s n GLY 33 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2k2s s TYR 34 N 0.00 0.06 -0.01 1.61 1.13 -1.26 -1.35 117.35 117.53 2k2s s TYR 34 Ca 0.00 -0.44 0.08 0.00 -1.41 0.00 0.00 57.07 55.29 2k2s s TYR 34 Cb 0.00 0.38 -0.02 0.00 -1.10 0.00 0.00 41.96 41.22 2k2s s TYR 34 CO 0.00 -1.02 -0.25 0.42 -2.51 0.00 0.00 175.55 172.19 2k2s s ILE 35 N -3.94 1.94 0.14 -3.49 1.01 0.46 -4.82 121.20 112.51 2k2s s ILE 35 Ca 0.15 -1.08 0.10 0.00 0.00 0.00 0.00 60.65 59.82 2k2s s ILE 35 Cb -0.02 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 2k2s s ILE 35 CO 0.04 0.52 -0.23 0.00 0.00 0.00 0.00 174.94 175.27 2k2s s ARG 37 N -2.29 0.10 0.48 0.00 0.52 0.48 -4.96 118.95 113.29 2k2s s ARG 37 Ca 0.14 0.18 0.06 0.00 -0.52 0.00 0.00 55.73 55.59 2k2s s ARG 37 Cb -0.09 -0.01 0.02 0.00 0.52 0.00 0.00 34.95 35.40 2k2s s ARG 37 CO 0.07 -0.05 0.66 0.00 0.02 0.00 0.00 175.30 176.00 2k2s s ASN 39 N -4.40 4.36 0.19 0.00 3.84 -1.25 -4.15 114.94 113.53 2k2s s ASN 39 Ca 0.56 -0.33 -0.18 0.00 0.21 0.00 0.00 52.86 53.12 2k2s s ASN 39 Cb -0.10 -0.06 0.14 0.00 -0.55 0.00 0.00 41.25 40.68 2k2s s ASN 39 CO 0.35 -1.85 1.61 -0.61 -2.79 0.00 0.00 177.10 173.82 2k2s h GLN 40 N -0.53 -0.11 -0.69 0.43 4.15 -1.99 -1.96 115.11 114.41 2k2s h GLN 40 Ca -0.37 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.06 2k2s h GLN 40 Cb 1.27 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.98 2k2s h GLN 40 CO 0.41 -0.08 0.00 0.41 -1.93 0.00 0.00 178.83 177.64 2k2s n GLY 41 N -1.42 1.59 3.15 2.39 0.00 -1.26 -4.87 105.19 104.78 2k2s n GLY 41 Ca 0.04 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 2k2s n GLY 41 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k2s s TYR 42 N -1.66 0.93 0.20 1.61 2.02 -0.74 -0.05 117.35 119.67 2k2s s TYR 42 Ca 0.20 -0.72 0.06 0.00 -0.37 0.00 0.00 57.07 56.23 2k2s s TYR 42 Cb 0.14 -0.52 -0.05 0.00 -0.40 0.00 0.00 41.96 41.13 2k2s s TYR 42 CO 0.08 -0.07 -0.09 1.03 -1.57 0.00 0.00 175.55 174.93 2k2s s ARG 43 N -2.97 1.28 -0.15 -0.62 0.52 0.31 -4.42 118.95 112.89 2k2s s ARG 43 Ca 0.05 -1.59 -0.24 0.00 -0.52 0.00 0.00 55.73 53.42 2k2s s ARG 43 Cb -0.01 -0.86 -0.02 0.00 0.52 0.00 0.00 34.95 34.58 2k2s s ARG 43 CO -0.02 0.07 0.78 0.42 0.02 0.00 0.00 175.30 176.57 2k2s s ILE 44 N -3.19 4.93 -0.33 1.52 -1.09 -1.26 -0.79 121.20 121.00 2k2s s ILE 44 Ca 0.23 1.54 -0.10 0.00 -2.23 0.00 0.00 60.65 60.09 2k2s s ILE 44 Cb 0.02 -4.10 0.00 0.00 -1.58 0.00 0.00 42.46 36.81 2k2s s ILE 44 CO 0.06 0.08 0.17 -0.55 -1.23 0.00 0.00 174.94 173.47 2k2s s SER 45 N 1.10 5.59 0.35 3.58 0.15 0.35 -0.38 113.70 124.44 2k2s s SER 45 Ca 0.37 -0.65 -0.20 0.00 0.70 0.00 0.00 55.95 56.17 2k2s s SER 45 Cb -0.17 -2.01 -0.10 0.00 -1.71 0.00 0.00 66.02 62.04 2k2s s SER 45 CO 0.14 -0.24 0.86 -1.48 1.20 0.00 0.00 173.24 173.71 2k2s s LEU 46 N 1.60 4.11 0.00 3.45 0.05 -1.26 -1.64 118.68 124.98 2k2s s LEU 46 Ca 0.04 1.58 0.03 0.00 0.05 0.00 0.00 54.13 55.82 2k2s s LEU 46 Cb -0.18 -4.18 0.07 0.00 -2.05 0.00 0.00 46.19 39.85 2k2s s LEU 46 CO 0.06 -0.21 0.53 -0.90 -0.55 0.00 0.00 176.35 175.29 2k2s n ASP 47 N -0.14 1.02 -1.28 1.48 5.75 0.16 -4.94 116.55 118.60 2k2s n ASP 47 Ca 0.04 -1.79 -0.01 0.00 -0.01 0.00 0.00 54.79 53.02 2k2s n ASP 47 Cb 0.53 -0.32 0.16 0.00 -1.03 0.00 0.00 41.12 40.46 2k2s n ASP 47 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k2s n GLY 48 N 0.67 2.49 0.00 6.12 0.00 -1.26 -3.19 105.19 110.02 2k2s n GLY 48 Ca 0.10 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2k2s n GLY 48 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k2s n THR 49 N 0.12 0.00 0.00 2.61 -2.24 -1.26 -5.05 114.28 108.46 2k2s n THR 49 Ca 0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 2k2s n THR 49 Cb 0.80 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 2k2s n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k2s n GLY 50 N 0.76 1.06 3.75 3.38 0.00 -1.19 -5.16 105.19 107.79 2k2s n GLY 50 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2k2s n GLY 50 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2k2s s ASN 51 N -1.41 4.01 -0.01 1.61 0.02 -1.26 -4.92 114.94 112.97 2k2s s ASN 51 Ca 0.00 -1.70 -0.13 0.00 -1.02 0.00 0.00 52.86 50.01 2k2s s ASN 51 Cb 0.00 0.64 0.02 0.00 0.02 0.00 0.00 41.25 41.93 2k2s s ASN 51 CO 0.00 -0.92 0.27 0.68 0.02 0.00 0.00 177.10 177.15 2k2s s VAL 52 N -2.93 0.06 0.22 1.60 -7.23 -1.26 0.39 120.40 111.25 2k2s s VAL 52 Ca 0.04 -0.52 -0.21 0.00 -1.81 0.00 0.00 61.98 59.48 2k2s s VAL 52 Cb 0.01 -0.57 0.04 0.00 0.56 0.00 0.00 36.38 36.41 2k2s s VAL 52 CO 0.03 -0.29 0.64 0.28 -0.31 0.00 0.00 175.10 175.45 2k2s s THR 53 N -1.32 0.00 -0.13 5.32 -1.32 -0.65 -4.44 115.64 113.10 2k2s s THR 53 Ca -0.14 -0.64 -0.08 0.00 -1.21 0.00 0.00 61.69 59.62 2k2s s THR 53 Cb -0.06 -1.60 -0.04 0.00 -1.51 0.00 0.00 72.50 69.29 2k2s s THR 53 CO 0.04 -0.02 0.16 0.00 -2.21 0.00 0.00 174.62 172.59 2k2s s ILE 55 N -0.75 0.01 0.13 0.00 -4.36 0.03 -4.43 121.20 111.82 2k2s s ILE 55 Ca 0.15 -1.87 -0.34 0.00 -0.26 0.00 0.00 60.65 58.33 2k2s s ILE 55 Cb -0.12 -2.41 -0.17 0.00 1.25 0.00 0.00 42.46 41.01 2k2s s ILE 55 CO 0.04 -0.03 0.94 1.33 0.24 0.00 0.00 174.94 177.46 2k2s n VAL 56 N -0.28 0.95 -1.78 8.37 0.24 -1.26 0.11 118.33 124.68 2k2s n VAL 56 Ca 0.01 -0.24 -0.42 0.00 -2.04 0.00 0.00 64.34 61.64 2k2s n VAL 56 Cb 0.65 -0.33 -0.03 0.00 -1.47 0.00 0.00 33.84 32.66 2k2s n VAL 56 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k2s s ARG 57 N -0.46 3.83 0.00 7.34 1.70 0.93 -4.10 118.95 128.18 2k2s s ARG 57 Ca 0.76 2.23 0.00 0.00 -0.47 0.00 0.00 55.73 58.25 2k2s s ARG 57 Cb -1.01 -4.17 0.00 0.00 -0.57 0.00 0.00 34.95 29.20 2k2s s ARG 57 CO 0.55 -1.30 0.00 0.00 -1.08 0.00 0.00 175.30 173.47 2k2s n GLN 58 N 7.82 0.00 0.00 3.89 10.64 -1.26 -4.88 117.38 133.59 2k2s n GLN 58 Ca 0.22 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.39 2k2s n GLN 58 Cb 0.43 -0.09 0.00 0.00 -0.86 0.00 0.00 30.24 29.72 2k2s n GLN 58 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 2k2s n GLU 59 N -2.48 0.00 -3.44 2.61 2.13 -1.26 -4.99 120.64 113.21 2k2s n GLU 59 Ca 0.00 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.64 2k2s n GLU 59 Cb 0.05 0.00 0.07 0.00 0.27 0.00 0.00 31.44 31.83 2k2s n GLU 59 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2k2s n SER 60 N 0.00 -3.11 0.00 4.31 7.64 -1.26 -5.06 113.62 116.14 2k2s n SER 60 Ca 0.00 -0.69 0.00 0.00 1.01 0.00 0.00 58.87 59.19 2k2s n SER 60 Cb 0.00 -4.91 0.00 0.00 -1.01 0.00 0.00 64.21 58.29 2k2s n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64