#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 -1.21 -2.53 0.00 0.00 -1.26 -3.27 120.51 112.24 1shi n ALA 2 Ca 0.00 0.47 -0.26 0.00 0.00 0.00 0.00 53.44 53.66 1shi n ALA 2 Cb 0.00 -2.02 -0.09 0.00 0.00 0.00 0.00 19.45 17.34 1shi n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1shi s LYS 4 N -3.76 4.02 0.82 0.00 -2.85 -1.26 -0.75 119.74 115.95 1shi s LYS 4 Ca 0.36 0.50 -0.14 0.00 -1.00 0.00 0.00 55.97 55.69 1shi s LYS 4 Cb 0.04 -3.69 0.20 0.00 -2.06 0.00 0.00 37.83 32.31 1shi s LYS 4 CO 0.20 -0.52 0.94 0.00 0.10 0.00 0.00 175.35 176.07 1shi n ASP 6 N -3.96 0.56 -0.70 0.00 8.00 -1.23 -3.33 116.55 115.89 1shi n ASP 6 Ca 0.12 -1.91 0.05 0.00 0.71 0.00 0.00 54.79 53.76 1shi n ASP 6 Cb 0.44 -0.06 0.09 0.00 -0.02 0.00 0.00 41.12 41.57 1shi n ASP 6 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1shi n ASP 7 N -0.24 1.20 -0.27 -2.24 2.03 -1.26 -4.82 116.55 110.95 1shi n ASP 7 Ca 0.06 -2.69 0.33 0.00 0.52 0.00 0.00 54.79 53.00 1shi n ASP 7 Cb 0.10 -0.36 0.61 0.00 -0.72 0.00 0.00 41.12 40.76 1shi n ASP 7 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1shi h GLU 8 N 0.50 0.00 0.00 -0.67 4.39 -1.91 -3.45 114.58 113.45 1shi h GLU 8 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1shi h GLU 8 Cb 1.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 1shi h GLU 8 CO 0.03 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.29 1shi n GLY 9 N -1.72 -1.62 0.02 -3.84 0.00 -1.26 -4.93 105.19 91.84 1shi n GLY 9 Ca 0.25 -1.20 0.16 0.00 0.00 0.00 0.00 46.02 45.23 1shi n GLY 9 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1shi n PRO 10 N -0.16 1.03 -4.31 1.61 -0.04 -1.26 -4.82 135.00 127.05 1shi n PRO 10 Ca 0.00 -0.04 -0.23 0.00 -0.04 0.00 0.00 63.50 63.18 1shi n PRO 10 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 1shi n PRO 10 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1shi s ASP 11 N -2.00 4.41 -0.00 3.54 1.11 -1.26 -5.03 116.67 117.43 1shi s ASP 11 Ca 0.47 -0.73 0.00 0.00 0.18 0.00 0.00 52.55 52.48 1shi s ASP 11 Cb 0.22 -0.75 0.00 0.00 1.07 0.00 0.00 42.92 43.47 1shi s ASP 11 CO 0.37 -0.03 0.62 2.30 1.18 0.00 0.00 175.17 179.60 1shi n ILE 12 N -0.88 0.19 1.15 0.77 -6.64 -1.26 -4.74 119.36 107.94 1shi n ILE 12 Ca -0.06 -0.20 0.13 0.00 -1.77 0.00 0.00 62.75 60.85 1shi n ILE 12 Cb 0.59 0.88 0.32 0.00 -1.44 0.00 0.00 39.64 40.00 1shi n ILE 12 CO 0.00 0.00 0.00 0.54 -1.77 0.00 0.00 176.55 175.32 1shi n ARG 13 N -0.10 0.51 -3.85 6.28 1.74 -1.26 -4.89 116.66 115.08 1shi n ARG 13 Ca 0.00 -0.30 -0.11 0.00 -0.77 0.00 0.00 57.85 56.67 1shi n ARG 13 Cb 0.47 -1.49 -0.09 0.00 -1.02 0.00 0.00 32.46 30.32 1shi n ARG 13 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1shi s THR 14 N -2.70 0.09 -0.35 0.55 -4.23 -1.26 -5.13 115.64 102.62 1shi s THR 14 Ca 0.19 -0.76 0.06 0.00 -1.18 0.00 0.00 61.69 60.01 1shi s THR 14 Cb 0.19 -0.63 0.18 0.00 1.34 0.00 0.00 72.50 73.58 1shi s THR 14 CO 0.59 -0.42 0.57 0.00 -0.54 0.00 0.00 174.62 174.82 1shi s ALA 15 N -1.81 -2.07 -1.99 3.99 0.00 -1.26 -4.99 121.76 113.62 1shi s ALA 15 Ca -0.11 0.41 0.01 0.00 0.00 0.00 0.00 51.96 52.27 1shi s ALA 15 Cb -0.05 -2.53 0.03 0.00 0.00 0.00 0.00 23.12 20.57 1shi s ALA 15 CO -0.00 -2.02 1.02 -0.35 0.00 0.00 0.00 175.76 174.41 1shi n PRO 16 N 4.87 1.09 -2.80 0.00 -0.04 -1.26 -4.91 135.00 131.95 1shi n PRO 16 Ca 0.08 -0.13 -0.02 0.00 -0.04 0.00 0.00 63.50 63.38 1shi n PRO 16 Cb 0.54 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 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 -0.39 -6.52 -0.45 1.53 4.32 -1.26 -4.87 117.00 109.36 1shi n LEU 17 Ca 0.01 0.12 0.05 0.00 -0.02 0.00 0.00 56.01 56.16 1shi n LEU 17 Cb 0.03 -3.04 0.14 0.00 -1.62 0.00 0.00 43.42 38.93 1shi n LEU 17 CO 0.01 -1.34 0.62 0.35 -1.22 0.00 0.00 177.39 175.80 1shi n THR 18 N -1.22 0.31 -2.15 -5.08 -2.24 -1.25 -4.54 114.28 98.11 1shi n THR 18 Ca 0.03 -0.32 -0.01 0.00 -2.27 0.00 0.00 64.05 61.49 1shi n THR 18 Cb 0.47 0.16 0.01 0.00 -2.10 0.00 0.00 70.33 68.87 1shi n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1shi n GLY 19 N 0.91 0.60 2.84 3.38 0.00 0.07 -4.70 105.19 108.28 1shi n GLY 19 Ca 0.09 -1.93 -0.14 0.00 0.00 0.00 0.00 46.02 44.04 1shi n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1shi s THR 20 N -0.00 -0.46 -0.29 2.61 2.01 0.27 -3.89 115.64 115.87 1shi s THR 20 Ca 0.03 -0.71 -0.28 0.00 0.31 0.00 0.00 61.69 61.04 1shi s THR 20 Cb -0.00 -0.69 -0.05 0.00 0.01 0.00 0.00 72.50 71.77 1shi s THR 20 CO 0.02 -0.46 2.25 -0.69 -0.69 0.00 0.00 174.62 175.05 1shi s VAL 21 N 1.77 3.03 -0.05 3.82 1.01 -1.20 -1.77 120.40 127.00 1shi s VAL 21 Ca 0.15 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.11 1shi s VAL 21 Cb -0.13 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 1shi s VAL 21 CO -0.12 -0.03 0.16 -1.81 0.00 0.00 0.00 175.10 173.30 1shi s ASP 22 N 9.16 6.33 -0.79 3.32 1.01 -1.26 -3.78 116.67 130.66 1shi s ASP 22 Ca 0.99 0.38 -0.08 0.00 0.71 0.00 0.00 52.55 54.55 1shi s ASP 22 Cb -0.28 -2.00 0.20 0.00 1.01 0.00 0.00 42.92 41.85 1shi s ASP 22 CO 0.33 0.32 0.69 -0.76 0.21 0.00 0.00 175.17 175.95 1shi s LEU 23 N -1.57 6.03 0.00 1.23 1.02 -1.26 -3.78 118.68 120.35 1shi s LEU 23 Ca 0.22 -2.97 0.00 0.00 0.02 0.00 0.00 54.13 51.40 1shi s LEU 23 Cb -0.12 -2.05 0.00 0.00 0.02 0.00 0.00 46.19 44.04 1shi s LEU 23 CO 0.13 -0.42 0.00 0.61 0.02 0.00 0.00 176.35 176.68 1shi n GLY 24 N 3.46 0.00 1.40 -3.19 0.00 -1.26 -5.10 105.19 100.50 1shi n GLY 24 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1shi n GLY 24 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1shi n SER 25 N 0.00 -7.57 -4.73 1.61 7.64 -1.26 -4.77 113.62 104.53 1shi n SER 25 Ca 0.00 1.46 -0.40 0.00 1.01 0.00 0.00 58.87 60.95 1shi n SER 25 Cb 0.00 -4.30 0.03 0.00 -1.01 0.00 0.00 64.21 58.93 1shi n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1shi s ASN 27 N -0.66 4.92 0.78 0.00 -0.87 -1.26 -5.06 114.94 112.79 1shi s ASN 27 Ca 0.65 -0.92 -0.14 0.00 -1.57 0.00 0.00 52.86 50.89 1shi s ASN 27 Cb -0.46 -0.14 0.07 0.00 -0.02 0.00 0.00 41.25 40.70 1shi s ASN 27 CO 0.55 -0.89 1.19 0.00 -2.57 0.00 0.00 177.10 175.38 1shi s ALA 28 N -2.59 1.96 -0.00 0.60 0.00 -1.26 -2.78 121.76 117.68 1shi s ALA 28 Ca 0.46 0.79 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1shi s ALA 28 Cb -0.03 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1shi s ALA 28 CO 0.27 -2.11 0.00 0.41 0.00 0.00 0.00 175.76 174.33 1shi n GLY 29 N 0.30 0.50 3.06 0.00 0.00 -1.26 -5.01 105.19 102.77 1shi n GLY 29 Ca 0.13 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.99 0.76 -0.26 1.61 0.52 -1.12 -3.44 118.94 115.02 1shi s TRP 30 Ca 0.00 -0.38 0.01 0.00 0.02 0.00 0.00 56.10 55.75 1shi s TRP 30 Cb 0.00 -0.46 0.07 0.00 -1.15 0.00 0.00 33.47 31.93 1shi s TRP 30 CO 0.00 -0.04 -0.04 -1.21 0.02 0.00 0.00 176.95 175.69 1shi s GLU 31 N -1.19 1.63 -0.09 4.98 2.02 -0.76 -4.76 118.70 120.53 1shi s GLU 31 Ca -0.05 -1.15 -0.40 0.00 0.02 0.00 0.00 54.97 53.39 1shi s GLU 31 Cb -0.08 -2.66 -0.18 0.00 0.10 0.00 0.00 34.13 31.31 1shi s GLU 31 CO 0.01 -0.66 1.34 1.17 0.02 0.00 0.00 175.26 177.13 1shi n LYS 32 N 4.60 0.54 -0.03 1.61 4.81 -1.26 -1.76 118.16 126.66 1shi n LYS 32 Ca -0.10 0.19 0.03 0.00 -0.87 0.00 0.00 58.31 57.56 1shi n LYS 32 Cb 0.43 -1.77 0.04 0.00 0.02 0.00 0.00 35.03 33.76 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 -0.64 0.13 0.59 0.00 0.00 -1.24 -3.52 121.76 117.07 1shi s ALA 34 Ca 0.08 0.27 0.32 0.00 0.00 0.00 0.00 51.96 52.64 1shi s ALA 34 Cb 0.05 -0.38 1.29 0.00 0.00 0.00 0.00 23.12 24.08 1shi s ALA 34 CO 0.07 -0.24 1.57 0.66 0.00 0.00 0.00 175.76 177.82 1shi h SER 35 N 7.69 0.00 0.00 0.00 4.64 -1.93 -3.44 113.55 120.51 1shi h SER 35 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1shi h SER 35 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1shi h SER 35 CO 0.37 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.33 1shi n TYR 36 N -3.60 0.00 0.00 4.77 9.36 -1.26 -5.06 117.16 121.37 1shi n TYR 36 Ca 0.23 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.45 1shi n TYR 36 Cb 1.34 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 40.05 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 -3.58 2.98 9.36 -1.26 -4.17 117.16 120.49 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 0.12 1.83 -1.16 2.97 -1.32 -1.00 -4.99 115.64 112.09 1shi s THR 38 Ca 0.00 -1.32 0.27 0.00 -1.21 0.00 0.00 61.69 59.43 1shi s THR 38 Cb 0.00 -2.15 0.32 0.00 -1.51 0.00 0.00 72.50 69.16 1shi s THR 38 CO 0.00 0.00 1.90 -0.38 -2.21 0.00 0.00 174.62 173.93 1shi n ILE 39 N -1.93 0.13 -2.70 5.08 2.08 -1.26 -3.59 119.36 117.17 1shi n ILE 39 Ca 0.04 0.03 0.00 0.00 0.56 0.00 0.00 62.75 63.39 1shi n ILE 39 Cb 0.63 -0.57 0.04 0.00 -0.75 0.00 0.00 39.64 38.99 1shi n ILE 39 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1shi n ILE 40 N -1.42 0.97 -3.56 1.39 0.00 -1.26 -5.10 119.36 110.38 1shi n ILE 40 Ca 0.09 -2.44 0.03 0.00 0.00 0.00 0.00 62.75 60.44 1shi n ILE 40 Cb 0.28 1.13 -0.00 0.00 0.00 0.00 0.00 39.64 41.05 1shi n ILE 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1shi s ALA 41 N -2.75 -2.48 0.00 1.51 0.00 -1.24 -4.99 121.76 111.82 1shi s ALA 41 Ca 0.30 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.23 1shi s ALA 41 Cb 0.34 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.68 1shi s ALA 41 CO -0.07 -1.04 0.00 -3.47 0.00 0.00 0.00 175.76 171.17 1shi n ASP 42 N -0.48 0.23 -3.15 0.00 -0.08 -1.25 -2.38 116.55 109.44 1shi n ASP 42 Ca -0.09 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.22 1shi n ASP 42 Cb 0.64 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 44.09 1shi n ASP 42 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1shi s ARG 45 N -2.95 2.85 -0.77 0.00 3.52 -0.72 0.93 118.95 121.82 1shi s ARG 45 Ca 0.35 -0.98 -0.33 0.00 -0.13 0.00 0.00 55.73 54.64 1shi s ARG 45 Cb -0.12 -3.07 -0.18 0.00 -1.56 0.00 0.00 34.95 30.02 1shi s ARG 45 CO 0.28 -0.43 2.50 1.17 -0.81 0.00 0.00 175.30 178.02 1shi n LYS 46 N 4.70 0.27 -3.59 5.12 4.81 -1.26 -1.82 118.16 126.38 1shi n LYS 46 Ca -0.16 0.03 -0.24 0.00 -0.87 0.00 0.00 58.31 57.07 1shi n LYS 46 Cb 0.47 -1.89 0.01 0.00 0.02 0.00 0.00 35.03 33.64 1shi n LYS 46 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1shi n LYS 47 N 8.36 -1.64 -0.15 1.64 5.02 -1.22 -4.86 118.16 125.30 1shi n LYS 47 Ca 0.57 1.06 0.00 0.00 -2.02 0.00 0.00 58.31 57.92 1shi n LYS 47 Cb 0.11 -2.84 0.00 0.00 -0.02 0.00 0.00 35.03 32.29 1shi n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51