#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shi n ALA 2 N 0.00 -1.38 -1.01 0.00 0.00 -1.26 -2.38 120.51 114.48 1shi n ALA 2 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1shi n ALA 2 Cb 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 17.58 1shi n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1shi n LYS 4 N 0.00 -0.52 -4.23 0.00 4.81 -1.26 -4.91 118.16 112.05 1shi n LYS 4 Ca 0.00 0.34 -0.29 0.00 -0.87 0.00 0.00 58.31 57.49 1shi n LYS 4 Cb 0.50 -0.63 -0.03 0.00 0.02 0.00 0.00 35.03 34.89 1shi n LYS 4 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1shi n ASP 6 N -1.59 0.42 -3.11 0.00 5.68 -1.23 -4.02 116.55 112.70 1shi n ASP 6 Ca -0.09 0.55 -0.18 0.00 -0.50 0.00 0.00 54.79 54.57 1shi n ASP 6 Cb 0.65 -0.66 -0.02 0.00 -1.14 0.00 0.00 41.12 39.95 1shi n ASP 6 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1shi n ASP 7 N -1.91 0.13 0.00 -1.12 -0.08 -1.26 -5.01 116.55 107.30 1shi n ASP 7 Ca 0.06 -3.04 0.00 0.00 -1.51 0.00 0.00 54.79 50.29 1shi n ASP 7 Cb 0.35 -0.20 0.00 0.00 2.34 0.00 0.00 41.12 43.61 1shi n ASP 7 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1shi n GLU 8 N 0.59 0.00 -3.58 -0.67 -0.58 -1.26 -5.11 120.64 110.03 1shi n GLU 8 Ca 0.21 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.81 1shi n GLU 8 Cb 0.64 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.44 1shi n GLU 8 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1shi s GLY 9 N -0.65 -0.46 -0.15 0.62 0.00 -1.23 -4.99 107.32 100.45 1shi s GLY 9 Ca 0.00 1.82 -0.26 0.00 0.00 0.00 0.00 44.72 46.28 1shi s GLY 9 CO 0.00 1.32 0.63 -0.56 0.00 0.00 0.00 173.10 174.49 1shi h PRO 10 N 3.68 0.00 -6.22 2.90 0.13 -2.00 -3.44 132.00 127.05 1shi h PRO 10 Ca -0.26 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.30 1shi h PRO 10 Cb 1.15 0.00 0.21 0.00 0.13 0.00 0.00 31.00 32.49 1shi h PRO 10 CO 0.24 0.91 -1.17 -0.25 -0.23 0.00 0.00 178.00 177.50 1shi n ASP 11 N -4.60 -3.75 0.09 1.44 8.00 -1.26 -4.85 116.55 111.62 1shi n ASP 11 Ca -0.12 0.45 -0.07 0.00 0.71 0.00 0.00 54.79 55.76 1shi n ASP 11 Cb 0.47 -0.94 0.03 0.00 -0.02 0.00 0.00 41.12 40.65 1shi n ASP 11 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1shi h ILE 12 N -0.55 1.49 0.00 0.53 -0.00 -1.98 -3.10 117.51 113.89 1shi h ILE 12 Ca -0.43 -2.52 0.00 0.00 -0.00 0.00 0.00 64.86 61.91 1shi h ILE 12 Cb 1.36 2.38 0.00 0.00 -0.00 0.00 0.00 36.82 40.56 1shi h ILE 12 CO 0.35 0.73 -0.61 0.03 -0.00 0.00 0.00 178.15 178.66 1shi h ARG 13 N 0.10 0.00 -2.49 2.19 -0.00 -1.97 -3.36 114.38 108.84 1shi h ARG 13 Ca -0.03 0.00 -0.71 0.00 -0.50 0.00 0.00 59.98 58.74 1shi h ARG 13 Cb 1.41 0.00 -0.15 0.00 0.00 0.00 0.00 29.97 31.23 1shi h ARG 13 CO 0.12 0.00 1.98 2.41 0.00 0.00 0.00 179.97 184.48 1shi n THR 14 N -2.55 5.02 -3.11 2.04 -1.04 -1.17 -4.71 114.28 108.76 1shi n THR 14 Ca 0.02 -4.27 0.03 0.00 -2.04 0.00 0.00 64.05 57.80 1shi n THR 14 Cb 0.50 -1.95 -0.00 0.00 -1.82 0.00 0.00 70.33 67.06 1shi n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1shi s ALA 15 N -1.54 -3.04 -1.15 2.41 0.00 -1.26 -3.53 121.76 113.64 1shi s ALA 15 Ca 0.54 0.90 0.02 0.00 0.00 0.00 0.00 51.96 53.41 1shi s ALA 15 Cb 0.22 -2.73 0.09 0.00 0.00 0.00 0.00 23.12 20.69 1shi s ALA 15 CO -0.12 -2.11 0.73 -0.35 0.00 0.00 0.00 175.76 173.91 1shi n PRO 16 N 4.78 1.37 -3.79 0.00 -0.04 -1.26 -4.90 135.00 131.17 1shi n PRO 16 Ca 0.08 -0.33 -0.31 0.00 -0.04 0.00 0.00 63.50 62.90 1shi n PRO 16 Cb 0.57 -1.47 0.02 0.00 -0.04 0.00 0.00 33.50 32.58 1shi n PRO 16 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1shi n LEU 17 N -0.00 -2.05 -0.68 1.53 4.32 -1.26 -4.79 117.00 114.06 1shi n LEU 17 Ca 0.03 -1.00 0.03 0.00 -0.02 0.00 0.00 56.01 55.05 1shi n LEU 17 Cb 0.29 -1.96 0.12 0.00 -1.62 0.00 0.00 43.42 40.25 1shi n LEU 17 CO 0.03 0.40 0.53 1.07 -1.22 0.00 0.00 177.39 178.20 1shi n THR 18 N -3.66 0.59 -3.08 -5.08 5.66 -1.26 -4.70 114.28 102.74 1shi n THR 18 Ca -0.17 -0.39 -0.18 0.00 -3.05 0.00 0.00 64.05 60.26 1shi n THR 18 Cb 0.61 -0.10 0.02 0.00 -1.55 0.00 0.00 70.33 69.32 1shi n THR 18 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1shi s GLY 19 N -0.67 1.91 -0.20 1.09 0.00 -1.26 -4.64 107.32 103.55 1shi s GLY 19 Ca 0.17 -1.82 -0.04 0.00 0.00 0.00 0.00 44.72 43.03 1shi s GLY 19 CO 0.09 -1.58 0.34 -1.59 0.00 0.00 0.00 173.10 170.36 1shi s THR 20 N -2.46 -0.53 -0.50 0.90 2.01 -0.08 -4.15 115.64 110.83 1shi s THR 20 Ca 0.56 0.07 -0.29 0.00 0.31 0.00 0.00 61.69 62.35 1shi s THR 20 Cb -0.08 -0.67 0.03 0.00 0.01 0.00 0.00 72.50 71.79 1shi s THR 20 CO 0.34 -0.02 1.19 -0.69 -0.69 0.00 0.00 174.62 174.75 1shi s VAL 21 N 2.50 4.11 -0.18 3.82 1.01 -1.00 -2.09 120.40 128.57 1shi s VAL 21 Ca 0.05 1.10 -0.01 0.00 0.00 0.00 0.00 61.98 63.12 1shi s VAL 21 Cb -0.14 -4.58 0.00 0.00 0.00 0.00 0.00 36.38 31.66 1shi s VAL 21 CO -0.13 -1.06 -0.13 -0.62 0.00 0.00 0.00 175.10 173.16 1shi s ASP 22 N 2.83 3.73 0.12 3.32 -1.08 -1.25 -3.53 116.67 120.81 1shi s ASP 22 Ca 0.49 -0.48 -0.31 0.00 -0.52 0.00 0.00 52.55 51.73 1shi s ASP 22 Cb -0.08 -1.59 -0.09 0.00 -1.46 0.00 0.00 42.92 39.70 1shi s ASP 22 CO 0.30 0.04 1.57 -0.76 0.52 0.00 0.00 175.17 176.85 1shi s LEU 23 N 1.07 4.37 0.00 -1.34 1.02 -1.26 -3.12 118.68 119.42 1shi s LEU 23 Ca -0.00 2.52 0.00 0.00 0.02 0.00 0.00 54.13 56.66 1shi s LEU 23 Cb -0.15 -3.58 0.00 0.00 0.02 0.00 0.00 46.19 42.48 1shi s LEU 23 CO -0.03 -0.82 0.00 0.61 0.02 0.00 0.00 176.35 176.13 1shi n GLY 24 N 3.80 0.85 1.20 -3.19 0.00 -1.26 -4.92 105.19 101.68 1shi n GLY 24 Ca 0.14 -0.34 0.14 0.00 0.00 0.00 0.00 46.02 45.96 1shi n GLY 24 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1shi n SER 25 N 0.47 -6.32 -4.94 1.61 2.88 -1.18 -4.84 113.62 101.30 1shi n SER 25 Ca 0.00 0.79 -0.24 0.00 -1.33 0.00 0.00 58.87 58.09 1shi n SER 25 Cb 0.27 -3.88 0.02 0.00 -0.75 0.00 0.00 64.21 59.86 1shi n SER 25 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1shi s ASN 27 N -4.24 4.27 0.90 0.00 3.04 -1.26 -4.95 114.94 112.70 1shi s ASN 27 Ca 0.50 0.34 -0.13 0.00 0.04 0.00 0.00 52.86 53.60 1shi s ASN 27 Cb -0.10 -0.77 0.04 0.00 -1.54 0.00 0.00 41.25 38.88 1shi s ASN 27 CO 0.40 -1.97 0.58 0.00 -3.04 0.00 0.00 177.10 173.08 1shi n ALA 28 N -3.18 -1.98 -0.14 1.71 0.00 -1.26 -2.61 120.51 113.06 1shi n ALA 28 Ca 0.11 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1shi n ALA 28 Cb 0.60 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1shi n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1shi n GLY 29 N 1.30 1.58 3.78 0.00 0.00 -1.26 -5.02 105.19 105.56 1shi n GLY 29 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1shi n GLY 29 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1shi s TRP 30 N -2.74 3.17 -0.39 1.61 0.52 -1.07 -3.49 118.94 116.55 1shi s TRP 30 Ca 0.00 0.05 -0.02 0.00 0.02 0.00 0.00 56.10 56.15 1shi s TRP 30 Cb 0.00 -1.59 0.10 0.00 -1.15 0.00 0.00 33.47 30.83 1shi s TRP 30 CO 0.00 0.52 0.17 -1.21 0.02 0.00 0.00 176.95 176.45 1shi s GLU 31 N -2.54 1.97 0.07 4.98 0.41 -0.63 -4.74 118.70 118.22 1shi s GLU 31 Ca 0.29 -1.78 -0.37 0.00 -0.41 0.00 0.00 54.97 52.71 1shi s GLU 31 Cb -0.12 -3.50 -0.18 0.00 -1.78 0.00 0.00 34.13 28.55 1shi s GLU 31 CO 0.22 -1.02 1.13 1.17 -0.49 0.00 0.00 175.26 176.27 1shi n LYS 32 N 4.55 0.56 -0.01 1.61 4.81 -1.26 -1.75 118.16 126.68 1shi n LYS 32 Ca -0.02 0.20 0.07 0.00 -0.87 0.00 0.00 58.31 57.69 1shi n LYS 32 Cb 0.42 -1.71 -0.11 0.00 0.02 0.00 0.00 35.03 33.65 1shi n LYS 32 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1shi s ALA 34 N -2.91 0.14 0.59 0.00 0.00 -1.18 -3.51 121.76 114.89 1shi s ALA 34 Ca -0.03 0.26 0.32 0.00 0.00 0.00 0.00 51.96 52.51 1shi s ALA 34 Cb 0.10 -0.43 1.29 0.00 0.00 0.00 0.00 23.12 24.08 1shi s ALA 34 CO 0.61 -0.29 1.59 1.03 0.00 0.00 0.00 175.76 178.70 1shi h SER 35 N 7.84 0.00 0.00 0.00 0.87 -1.92 -3.41 113.55 116.93 1shi h SER 35 Ca -0.30 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1shi h SER 35 Cb 1.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1shi h SER 35 CO 0.32 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.62 1shi n TYR 36 N -3.60 0.00 0.00 2.24 9.36 -1.26 -4.98 117.16 118.92 1shi n TYR 36 Ca 0.22 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.44 1shi n TYR 36 Cb 1.31 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 40.02 1shi n TYR 36 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 1shi n TYR 37 N 0.00 0.00 -3.62 2.98 9.36 -1.25 -3.58 117.16 121.04 1shi n TYR 37 Ca 0.00 0.00 -0.24 0.00 3.32 0.00 0.00 57.90 60.98 1shi n TYR 37 Cb 0.00 0.00 0.02 0.00 -0.63 0.00 0.00 39.34 38.73 1shi n TYR 37 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 1shi s THR 38 N 0.23 1.77 -0.96 2.97 -1.32 -0.82 -4.99 115.64 112.52 1shi s THR 38 Ca 0.00 -1.34 0.22 0.00 -1.21 0.00 0.00 61.69 59.36 1shi s THR 38 Cb 0.00 -2.11 0.19 0.00 -1.51 0.00 0.00 72.50 69.08 1shi s THR 38 CO 0.00 0.00 1.71 -0.38 -2.21 0.00 0.00 174.62 173.74 1shi n ILE 39 N -1.93 0.51 -2.58 5.08 -0.00 -1.26 -3.45 119.36 115.73 1shi n ILE 39 Ca 0.04 0.10 0.02 0.00 -0.00 0.00 0.00 62.75 62.91 1shi n ILE 39 Cb 0.63 -0.76 0.04 0.00 -0.00 0.00 0.00 39.64 39.56 1shi n ILE 39 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1shi n ILE 40 N -1.58 0.67 -3.62 1.39 3.06 -1.26 -5.10 119.36 112.92 1shi n ILE 40 Ca 0.05 -1.95 -0.01 0.00 -2.50 0.00 0.00 62.75 58.34 1shi n ILE 40 Cb 0.27 1.01 -0.01 0.00 0.54 0.00 0.00 39.64 41.44 1shi n ILE 40 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1shi s ALA 41 N -1.75 -2.12 0.00 1.51 0.00 -1.22 -4.92 121.76 113.25 1shi s ALA 41 Ca 0.32 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.25 1shi s ALA 41 Cb 0.36 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.70 1shi s ALA 41 CO -0.11 -0.89 0.00 -0.25 0.00 0.00 0.00 175.76 174.52 1shi n ASP 42 N -0.35 1.78 -3.45 0.00 8.00 -1.26 -1.94 116.55 119.33 1shi n ASP 42 Ca -0.05 -0.80 -0.17 0.00 0.71 0.00 0.00 54.79 54.47 1shi n ASP 42 Cb 0.61 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.60 1shi n ASP 42 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1shi s ARG 45 N -3.20 1.27 -0.90 0.00 3.52 -0.72 -0.90 118.95 118.02 1shi s ARG 45 Ca 0.28 -1.71 -0.24 0.00 -0.13 0.00 0.00 55.73 53.94 1shi s ARG 45 Cb -0.08 -2.78 -0.22 0.00 -1.56 0.00 0.00 34.95 30.31 1shi s ARG 45 CO 0.17 -0.98 2.48 0.36 -0.81 0.00 0.00 175.30 176.52 1shi n LYS 46 N 4.29 0.21 -1.15 5.12 2.85 -1.26 -1.60 118.16 126.62 1shi n LYS 46 Ca 0.03 -0.08 0.13 0.00 -1.05 0.00 0.00 58.31 57.34 1shi n LYS 46 Cb 0.41 -1.86 -0.05 0.00 -0.65 0.00 0.00 35.03 32.88 1shi n LYS 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1shi n LYS 47 N 7.78 -2.17 0.00 -1.58 4.76 -1.23 -4.82 118.16 120.91 1shi n LYS 47 Ca 0.60 1.60 0.14 0.00 -2.87 0.00 0.00 58.31 57.78 1shi n LYS 47 Cb 0.18 -2.73 0.82 0.00 -1.84 0.00 0.00 35.03 31.46 1shi n LYS 47 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39