#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 -1.53 -2.50 0.00 0.00 -1.26 -3.18 120.51 112.03 1shi n ALA 2 Ca 0.00 0.50 -0.24 0.00 0.00 0.00 0.00 53.44 53.70 1shi n ALA 2 Cb 0.00 -2.00 -0.11 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 4.26 0.76 0.00 2.20 -1.26 -0.33 119.74 121.60 1shi s LYS 4 Ca 0.34 1.02 -0.12 0.00 -0.36 0.00 0.00 55.97 56.85 1shi s LYS 4 Cb 0.07 -2.47 0.19 0.00 -1.51 0.00 0.00 37.83 34.11 1shi s LYS 4 CO 0.15 0.14 0.44 0.00 -0.36 0.00 0.00 175.35 175.72 1shi h ASP 6 N -2.81 0.00 -1.49 0.00 2.03 -1.91 -3.38 116.42 108.86 1shi h ASP 6 Ca -0.20 0.00 -0.42 0.00 -0.73 0.00 0.00 57.03 55.68 1shi h ASP 6 Cb 0.67 0.00 -0.36 0.00 -0.83 0.00 0.00 39.33 38.81 1shi h ASP 6 CO 0.12 0.20 -1.08 -0.90 -1.03 0.00 0.00 179.24 176.54 1shi n ASP 7 N -3.00 0.50 -2.04 4.15 5.75 -1.26 -4.92 116.55 115.73 1shi n ASP 7 Ca 0.01 -3.00 -0.26 0.00 -0.01 0.00 0.00 54.79 51.52 1shi n ASP 7 Cb 0.63 -0.25 0.09 0.00 -1.03 0.00 0.00 41.12 40.55 1shi n ASP 7 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1shi n GLU 8 N 0.18 2.84 0.00 0.11 -0.58 -1.26 -5.00 120.64 116.93 1shi n GLU 8 Ca 0.18 -3.55 0.00 0.00 -0.42 0.00 0.00 57.16 53.37 1shi n GLU 8 Cb 0.71 -2.21 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 1shi n GLU 8 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1shi n GLY 9 N -0.90 4.37 0.11 0.62 0.00 -1.26 -4.48 105.19 103.65 1shi n GLY 9 Ca 0.52 -1.42 -0.20 0.00 0.00 0.00 0.00 46.02 44.92 1shi n GLY 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1shi h PRO 10 N 0.00 0.29 0.00 1.61 0.13 -1.99 -3.47 132.00 128.56 1shi h PRO 10 Ca 0.00 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1shi h PRO 10 Cb 0.00 0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.31 1shi h PRO 10 CO 0.00 1.23 0.00 -3.47 -0.23 0.00 0.00 178.00 175.53 1shi n ASP 11 N -4.13 0.00 -0.22 1.44 2.03 -1.26 -5.06 116.55 109.36 1shi n ASP 11 Ca -0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.17 1shi n ASP 11 Cb 0.82 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.22 1shi n ASP 11 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1shi n ILE 12 N 0.00 0.05 1.34 5.18 -0.00 -1.26 -4.67 119.36 120.00 1shi n ILE 12 Ca 0.00 -0.06 0.13 0.00 -0.00 0.00 0.00 62.75 62.82 1shi n ILE 12 Cb 0.00 0.75 0.44 0.00 -0.00 0.00 0.00 39.64 40.83 1shi n ILE 12 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1shi n ARG 13 N -0.04 1.16 0.00 6.28 1.74 -1.26 -4.20 116.66 120.34 1shi n ARG 13 Ca 0.00 -0.68 0.00 0.00 -0.77 0.00 0.00 57.85 56.40 1shi n ARG 13 Cb 0.58 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 1shi n ARG 13 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1shi n THR 14 N -0.33 0.00 -1.42 0.55 -2.24 -1.26 -5.00 114.28 104.58 1shi n THR 14 Ca 0.15 0.00 -0.47 0.00 -2.27 0.00 0.00 64.05 61.45 1shi n THR 14 Cb 0.35 -0.65 -0.12 0.00 -2.10 0.00 0.00 70.33 67.81 1shi n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1shi n ALA 15 N -1.73 0.43 1.70 6.98 0.00 -1.26 -4.71 120.51 121.92 1shi n ALA 15 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1shi n ALA 15 Cb 0.36 -2.35 0.01 0.00 0.00 0.00 0.00 19.45 17.48 1shi n ALA 15 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1shi n PRO 16 N 8.22 1.09 -2.76 0.00 -0.04 -1.26 -4.91 135.00 135.34 1shi n PRO 16 Ca 0.56 -0.12 -0.05 0.00 -0.04 0.00 0.00 63.50 63.86 1shi n PRO 16 Cb 0.09 -1.13 0.01 0.00 -0.04 0.00 0.00 33.50 32.43 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 -0.32 -6.92 -1.30 1.53 7.99 -1.26 -4.91 117.00 111.82 1shi n LEU 17 Ca 0.01 0.28 0.11 0.00 -0.01 0.00 0.00 56.01 56.40 1shi n LEU 17 Cb 0.08 -3.10 0.31 0.00 -0.11 0.00 0.00 43.42 40.59 1shi n LEU 17 CO 0.01 -1.70 0.76 0.35 -1.51 0.00 0.00 177.39 175.30 1shi n THR 18 N -0.81 1.02 -3.44 -5.08 -2.24 -1.25 -4.82 114.28 97.67 1shi n THR 18 Ca 0.07 -0.94 -0.19 0.00 -2.27 0.00 0.00 64.05 60.72 1shi n THR 18 Cb 0.44 0.41 0.03 0.00 -2.10 0.00 0.00 70.33 69.11 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 1.52 2.38 3.24 3.38 0.00 0.55 -4.64 105.19 111.63 1shi n GLY 19 Ca 0.23 -2.25 -0.13 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.19 -0.01 -0.37 2.61 2.01 -0.25 -3.36 115.64 114.09 1shi s THR 20 Ca 0.39 0.02 -0.09 0.00 0.31 0.00 0.00 61.69 62.32 1shi s THR 20 Cb -0.03 -0.52 0.04 0.00 0.01 0.00 0.00 72.50 72.00 1shi s THR 20 CO 0.25 0.01 0.17 -0.69 -0.69 0.00 0.00 174.62 173.66 1shi s VAL 21 N 0.43 4.18 -0.28 3.82 1.01 -1.19 -1.81 120.40 126.55 1shi s VAL 21 Ca -0.02 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 60.79 1shi s VAL 21 Cb -0.04 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.91 1shi s VAL 21 CO -0.02 -0.25 0.19 -1.81 0.00 0.00 0.00 175.10 173.21 1shi s ASP 22 N 1.56 6.01 0.21 3.32 1.01 -1.26 -3.53 116.67 123.99 1shi s ASP 22 Ca 0.00 -0.05 -0.32 0.00 0.71 0.00 0.00 52.55 52.90 1shi s ASP 22 Cb -0.20 -2.12 -0.13 0.00 1.01 0.00 0.00 42.92 41.48 1shi s ASP 22 CO 0.04 -0.06 1.50 0.18 0.21 0.00 0.00 175.17 177.04 1shi n LEU 23 N 5.06 3.22 0.00 1.23 7.99 -1.26 -3.20 117.00 130.04 1shi n LEU 23 Ca -0.14 1.12 0.00 0.00 -0.01 0.00 0.00 56.01 56.98 1shi n LEU 23 Cb 0.52 -1.44 0.00 0.00 -0.11 0.00 0.00 43.42 42.38 1shi n LEU 23 CO 0.33 -0.34 0.00 0.61 -1.51 0.00 0.00 177.39 176.48 1shi n GLY 24 N 2.71 2.05 3.67 -0.72 0.00 -1.26 -4.96 105.19 106.67 1shi n GLY 24 Ca 0.14 -0.63 -0.00 0.00 0.00 0.00 0.00 46.02 45.52 1shi n GLY 24 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1shi s SER 25 N -3.25 -0.10 1.07 1.61 0.15 -1.19 -4.93 113.70 107.05 1shi s SER 25 Ca 0.00 -0.23 -0.05 0.00 0.70 0.00 0.00 55.95 56.37 1shi s SER 25 Cb 0.00 0.28 0.07 0.00 -1.71 0.00 0.00 66.02 64.67 1shi s SER 25 CO 0.00 -0.52 0.24 0.00 1.20 0.00 0.00 173.24 174.16 1shi n ASN 27 N -3.49 -0.34 -4.80 0.00 5.03 -1.26 -5.11 115.26 105.29 1shi n ASN 27 Ca 0.03 -1.83 -0.37 0.00 0.87 0.00 0.00 54.58 53.29 1shi n ASN 27 Cb 0.14 0.74 -0.06 0.00 -1.02 0.00 0.00 39.78 39.58 1shi n ASN 27 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1shi s ALA 28 N -2.41 3.38 0.00 5.41 0.00 -1.26 -3.67 121.76 123.22 1shi s ALA 28 Ca 0.15 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1shi s ALA 28 Cb 0.00 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.19 1shi s ALA 28 CO 0.10 0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.56 1shi n GLY 29 N 0.91 0.70 3.90 0.00 0.00 -1.26 -5.06 105.19 104.38 1shi n GLY 29 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.19 3.38 -0.39 1.61 0.52 -1.24 -3.85 118.94 116.77 1shi s TRP 30 Ca 0.00 0.06 -0.04 0.00 0.02 0.00 0.00 56.10 56.14 1shi s TRP 30 Cb 0.00 -1.61 0.09 0.00 -1.15 0.00 0.00 33.47 30.80 1shi s TRP 30 CO 0.00 0.51 0.19 -1.21 0.02 0.00 0.00 176.95 176.46 1shi s GLU 31 N -3.27 2.22 -0.25 4.98 0.41 -0.75 -4.88 118.70 117.16 1shi s GLU 31 Ca 0.33 -1.64 -0.42 0.00 -0.41 0.00 0.00 54.97 52.83 1shi s GLU 31 Cb -0.11 -3.57 -0.19 0.00 -1.78 0.00 0.00 34.13 28.49 1shi s GLU 31 CO 0.27 -0.97 1.46 1.17 -0.49 0.00 0.00 175.26 176.70 1shi n LYS 32 N 4.68 0.38 -0.01 1.61 4.81 -1.26 -0.65 118.16 127.73 1shi n LYS 32 Ca -0.06 0.14 0.09 0.00 -0.87 0.00 0.00 58.31 57.61 1shi n LYS 32 Cb 0.42 -1.70 -0.13 0.00 0.02 0.00 0.00 35.03 33.64 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 -3.10 0.12 0.59 0.00 0.00 -1.00 -2.92 121.76 115.45 1shi s ALA 34 Ca -0.04 0.28 0.33 0.00 0.00 0.00 0.00 51.96 52.53 1shi s ALA 34 Cb 0.12 -0.38 1.30 0.00 0.00 0.00 0.00 23.12 24.16 1shi s ALA 34 CO 0.73 -0.24 1.59 0.66 0.00 0.00 0.00 175.76 178.49 1shi h SER 35 N 7.69 0.00 0.00 0.00 4.64 -1.91 -3.42 113.55 120.55 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 -3.62 0.00 0.00 4.77 9.36 -1.26 -4.99 117.16 121.41 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 1.33 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 40.04 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 -0.25 0.00 2.98 9.36 -1.26 -3.44 117.16 124.55 1shi n TYR 37 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1shi n TYR 37 Cb 0.00 0.05 0.00 0.00 -0.63 0.00 0.00 39.34 38.76 1shi n TYR 37 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 1shi n THR 38 N -1.05 0.00 -0.25 2.97 5.66 -1.22 -5.02 114.28 115.37 1shi n THR 38 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1shi n THR 38 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1shi n THR 38 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1shi n ILE 39 N 0.00 0.06 -1.07 1.09 2.08 -1.26 -4.70 119.36 115.56 1shi n ILE 39 Ca 0.00 -0.41 0.00 0.00 0.56 0.00 0.00 62.75 62.90 1shi n ILE 39 Cb 0.00 1.20 0.00 0.00 -0.75 0.00 0.00 39.64 40.09 1shi n ILE 39 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 1shi n ILE 40 N -0.03 0.00 -3.61 1.39 2.08 -1.26 -5.11 119.36 112.82 1shi n ILE 40 Ca 0.00 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.24 1shi n ILE 40 Cb 0.08 0.95 0.01 0.00 -0.75 0.00 0.00 39.64 39.93 1shi n ILE 40 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1shi n ALA 41 N 0.00 -1.09 -3.00 -1.39 0.00 -1.26 -4.52 120.51 109.25 1shi n ALA 41 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1shi n ALA 41 Cb 0.51 0.74 0.00 0.00 0.00 0.00 0.00 19.45 20.70 1shi n ALA 41 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1shi n ASP 42 N -1.44 0.09 -3.12 0.00 8.00 -1.26 -3.38 116.55 115.45 1shi n ASP 42 Ca -0.05 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.48 1shi n ASP 42 Cb 0.42 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.51 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 -4.64 0.48 0.69 0.00 3.00 0.18 -1.09 118.95 117.57 1shi s ARG 45 Ca 0.61 -1.05 -0.17 0.00 -1.00 0.00 0.00 55.73 54.13 1shi s ARG 45 Cb -0.06 -1.39 -0.11 0.00 0.00 0.00 0.00 34.95 33.39 1shi s ARG 45 CO 0.39 -1.11 -0.05 1.17 0.00 0.00 0.00 175.30 175.70 1shi n LYS 46 N 4.55 0.11 -1.76 5.12 4.81 -1.26 -1.80 118.16 127.93 1shi n LYS 46 Ca 0.03 0.05 -0.29 0.00 -0.87 0.00 0.00 58.31 57.24 1shi n LYS 46 Cb 0.39 -1.29 -0.04 0.00 0.02 0.00 0.00 35.03 34.10 1shi n LYS 46 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1shi s LYS 47 N -1.86 2.16 0.00 1.64 1.02 -1.25 -4.69 119.74 116.76 1shi s LYS 47 Ca 0.56 0.66 0.00 0.00 0.02 0.00 0.00 55.97 57.22 1shi s LYS 47 Cb -0.37 -4.69 0.00 0.00 -0.52 0.00 0.00 37.83 32.25 1shi s LYS 47 CO 0.67 -3.50 0.00 0.36 -0.92 0.00 0.00 175.35 171.96