#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 0.08 -0.03 0.00 0.00 -1.26 -3.12 120.51 116.18 1shi n ALA 2 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1shi n ALA 2 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.26 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 -0.67 -0.62 -4.09 0.00 5.02 -1.21 -4.78 118.16 111.82 1shi n LYS 4 Ca 0.00 0.41 -0.08 0.00 -2.02 0.00 0.00 58.31 56.62 1shi n LYS 4 Cb 0.01 -0.75 -0.10 0.00 -0.02 0.00 0.00 35.03 34.17 1shi n LYS 4 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1shi n ASP 6 N 0.02 0.04 0.02 0.00 2.03 -1.26 -1.52 116.55 115.89 1shi n ASP 6 Ca -0.11 0.51 0.11 0.00 0.52 0.00 0.00 54.79 55.83 1shi n ASP 6 Cb 0.62 -0.52 0.06 0.00 -0.72 0.00 0.00 41.12 40.55 1shi n ASP 6 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1shi n ASP 7 N -1.55 0.63 0.00 1.67 9.92 -1.26 -4.50 116.55 121.47 1shi n ASP 7 Ca 0.03 -0.26 0.00 0.00 -0.53 0.00 0.00 54.79 54.02 1shi n ASP 7 Cb 0.14 0.68 0.00 0.00 -0.64 0.00 0.00 41.12 41.31 1shi n ASP 7 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1shi n GLU 8 N -1.86 0.00 -3.73 -1.24 -0.58 -0.58 -5.07 120.64 107.58 1shi n GLU 8 Ca 0.03 0.33 0.00 0.00 -0.42 0.00 0.00 57.16 57.10 1shi n GLU 8 Cb 0.41 -1.07 0.00 0.00 -0.57 0.00 0.00 31.44 30.22 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 0.76 -1.89 0.00 0.62 0.00 -1.25 -4.86 105.19 98.56 1shi n GLY 9 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.36 0.00 -1.61 1.61 -0.04 -1.26 -4.83 135.00 128.51 1shi n PRO 10 Ca 0.00 0.00 -0.55 0.00 -0.04 0.00 0.00 63.50 62.91 1shi n PRO 10 Cb 0.00 -0.08 -0.07 0.00 -0.04 0.00 0.00 33.50 33.31 1shi n PRO 10 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1shi n ASP 11 N -0.09 1.53 0.03 3.54 9.92 -1.26 -4.75 116.55 125.46 1shi n ASP 11 Ca 0.00 1.12 0.05 0.00 -0.53 0.00 0.00 54.79 55.43 1shi n ASP 11 Cb 0.00 -1.12 0.24 0.00 -0.64 0.00 0.00 41.12 39.61 1shi n ASP 11 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1shi n ILE 12 N 2.94 1.33 0.68 0.53 -0.00 -1.26 -1.34 119.36 122.23 1shi n ILE 12 Ca 0.21 0.37 0.06 0.00 -0.00 0.00 0.00 62.75 63.39 1shi n ILE 12 Cb 0.14 -1.24 0.17 0.00 -0.00 0.00 0.00 39.64 38.72 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 -1.63 2.04 -0.00 6.28 1.74 -1.26 -3.62 116.66 120.21 1shi n ARG 13 Ca 0.02 -1.41 0.00 0.00 -0.77 0.00 0.00 57.85 55.69 1shi n ARG 13 Cb 0.11 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 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 0.58 0.93 -4.02 0.55 -2.24 -0.45 -5.03 114.28 104.60 1shi n THR 14 Ca 0.13 -0.96 -0.08 0.00 -2.27 0.00 0.00 64.05 60.87 1shi n THR 14 Cb 0.38 0.54 -0.10 0.00 -2.10 0.00 0.00 70.33 69.05 1shi n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1shi s ALA 15 N -0.93 0.26 -0.85 6.98 0.00 -1.24 -4.84 121.76 121.15 1shi s ALA 15 Ca 0.00 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.13 1shi s ALA 15 Cb 0.00 0.22 0.12 0.00 0.00 0.00 0.00 23.12 23.46 1shi s ALA 15 CO 0.00 -0.27 0.71 -0.35 0.00 0.00 0.00 175.76 175.85 1shi n PRO 16 N 0.83 1.57 -3.77 0.00 -0.04 -1.26 -4.90 135.00 127.44 1shi n PRO 16 Ca -0.19 -0.48 -0.29 0.00 -0.04 0.00 0.00 63.50 62.50 1shi n PRO 16 Cb 0.58 -1.60 0.01 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.10 -2.19 -1.09 1.53 4.32 -1.26 -4.81 117.00 113.61 1shi n LEU 17 Ca 0.04 -0.97 0.05 0.00 -0.02 0.00 0.00 56.01 55.11 1shi n LEU 17 Cb 0.41 -1.97 0.21 0.00 -1.62 0.00 0.00 43.42 40.45 1shi n LEU 17 CO 0.05 0.35 0.63 0.35 -1.22 0.00 0.00 177.39 177.55 1shi n THR 18 N -3.51 1.17 -3.95 -5.08 -2.24 -1.26 -4.74 114.28 94.66 1shi n THR 18 Ca -0.18 -0.70 -0.36 0.00 -2.27 0.00 0.00 64.05 60.54 1shi n THR 18 Cb 0.62 -0.11 -0.06 0.00 -2.10 0.00 0.00 70.33 68.67 1shi n THR 18 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1shi s GLY 19 N -0.66 2.12 0.02 3.38 0.00 -1.26 -3.94 107.32 106.99 1shi s GLY 19 Ca 0.30 -0.69 0.01 0.00 0.00 0.00 0.00 44.72 44.34 1shi s GLY 19 CO 0.13 -0.47 -0.05 -1.59 0.00 0.00 0.00 173.10 171.12 1shi s THR 20 N -1.08 0.32 0.06 0.90 2.01 -0.86 -2.19 115.64 114.81 1shi s THR 20 Ca 0.17 -0.81 -0.07 0.00 0.31 0.00 0.00 61.69 61.29 1shi s THR 20 Cb -0.12 -0.40 -0.05 0.00 0.01 0.00 0.00 72.50 71.94 1shi s THR 20 CO 0.07 -0.32 0.33 -0.69 -0.69 0.00 0.00 174.62 173.32 1shi s VAL 21 N -1.11 5.20 -0.50 3.82 1.01 -1.18 -1.99 120.40 125.65 1shi s VAL 21 Ca -0.10 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.16 1shi s VAL 21 Cb -0.08 -3.61 0.15 0.00 0.00 0.00 0.00 36.38 32.84 1shi s VAL 21 CO -0.00 0.28 0.31 -1.81 0.00 0.00 0.00 175.10 173.88 1shi s ASP 22 N -1.85 3.66 -0.29 3.32 1.11 -1.26 -4.54 116.67 116.82 1shi s ASP 22 Ca 0.32 -2.97 -0.40 0.00 0.18 0.00 0.00 52.55 49.67 1shi s ASP 22 Cb -0.13 -1.14 -0.15 0.00 1.07 0.00 0.00 42.92 42.56 1shi s ASP 22 CO 0.18 -0.21 1.79 0.18 1.18 0.00 0.00 175.17 178.29 1shi n LEU 23 N 3.09 2.37 0.00 1.23 7.99 -1.26 -2.33 117.00 128.08 1shi n LEU 23 Ca 0.13 1.02 0.00 0.00 -0.01 0.00 0.00 56.01 57.15 1shi n LEU 23 Cb 0.36 -1.15 0.00 0.00 -0.11 0.00 0.00 43.42 42.52 1shi n LEU 23 CO 0.24 -0.44 0.00 0.61 -1.51 0.00 0.00 177.39 176.29 1shi n GLY 24 N 4.46 2.31 0.00 -0.72 0.00 -1.26 -5.01 105.19 104.96 1shi n GLY 24 Ca 0.28 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 0.00 -4.44 1.61 2.88 -0.99 -5.08 113.62 107.61 1shi n SER 25 Ca 0.00 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.15 1shi n SER 25 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 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 -1.09 2.47 1.03 0.00 -0.87 -1.26 -5.10 114.94 110.11 1shi s ASN 27 Ca 0.66 -1.26 -0.17 0.00 -1.57 0.00 0.00 52.86 50.53 1shi s ASN 27 Cb -0.49 -0.11 0.03 0.00 -0.02 0.00 0.00 41.25 40.66 1shi s ASN 27 CO 0.57 -0.46 -0.03 0.00 -2.57 0.00 0.00 177.10 174.60 1shi n ALA 28 N -0.59 -3.77 -0.98 0.60 0.00 -1.26 -2.66 120.51 111.86 1shi n ALA 28 Ca -0.04 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.45 1shi n ALA 28 Cb 0.65 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 2.07 0.56 3.37 0.00 0.00 -1.26 -4.99 105.19 104.94 1shi n GLY 29 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.41 1.72 -0.31 1.61 0.52 -1.09 -2.76 118.94 116.22 1shi s TRP 30 Ca 0.00 -1.04 -0.03 0.00 0.02 0.00 0.00 56.10 55.05 1shi s TRP 30 Cb 0.00 -1.06 0.11 0.00 -1.15 0.00 0.00 33.47 31.38 1shi s TRP 30 CO 0.00 -0.14 0.16 -1.21 0.02 0.00 0.00 176.95 175.78 1shi s GLU 31 N -3.94 0.31 -0.41 4.98 0.41 0.12 -4.58 118.70 115.59 1shi s GLU 31 Ca 0.36 -0.79 -0.43 0.00 -0.41 0.00 0.00 54.97 53.69 1shi s GLU 31 Cb 0.08 -1.20 -0.18 0.00 -1.78 0.00 0.00 34.13 31.05 1shi s GLU 31 CO 0.13 -1.08 1.77 1.17 -0.49 0.00 0.00 175.26 176.76 1shi n LYS 32 N 4.85 0.52 0.00 1.61 4.81 -1.26 -1.79 118.16 126.90 1shi n LYS 32 Ca 0.00 0.18 0.06 0.00 -0.87 0.00 0.00 58.31 57.68 1shi n LYS 32 Cb 0.40 -1.80 -0.02 0.00 0.02 0.00 0.00 35.03 33.63 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 -1.76 0.54 0.43 0.00 0.00 -1.20 -4.12 121.76 115.65 1shi s ALA 34 Ca 0.09 0.01 0.27 0.00 0.00 0.00 0.00 51.96 52.33 1shi s ALA 34 Cb 0.10 -0.50 1.34 0.00 0.00 0.00 0.00 23.12 24.06 1shi s ALA 34 CO 0.37 -0.20 1.67 0.77 0.00 0.00 0.00 175.76 178.37 1shi h SER 35 N 7.63 0.29 0.00 0.00 0.02 -1.91 -3.40 113.55 116.18 1shi h SER 35 Ca -0.32 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1shi h SER 35 Cb 1.14 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1shi h SER 35 CO 0.39 -0.10 0.00 0.00 -1.14 0.00 0.00 176.83 175.97 1shi n TYR 36 N -4.66 0.00 0.00 3.45 4.19 -1.26 -4.94 117.16 113.93 1shi n TYR 36 Ca 0.34 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.55 1shi n TYR 36 Cb 1.27 0.00 0.00 0.00 0.49 0.00 0.00 39.34 41.10 1shi n TYR 36 CO 0.00 0.00 0.00 0.98 0.91 0.00 0.00 176.86 178.75 1shi n TYR 37 N 0.00 0.00 -3.55 2.98 9.36 -1.24 -3.51 117.16 121.20 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 0.37 1.82 -0.96 2.97 -1.32 -0.33 -4.99 115.64 113.21 1shi s THR 38 Ca 0.00 -1.30 0.20 0.00 -1.21 0.00 0.00 61.69 59.39 1shi s THR 38 Cb 0.00 -2.12 0.17 0.00 -1.51 0.00 0.00 72.50 69.05 1shi s THR 38 CO 0.00 0.00 1.64 -0.38 -2.21 0.00 0.00 174.62 173.67 1shi n ILE 39 N -1.97 0.65 -2.62 5.08 5.41 -1.26 -3.31 119.36 121.35 1shi n ILE 39 Ca 0.05 0.15 0.01 0.00 1.00 0.00 0.00 62.75 63.96 1shi n ILE 39 Cb 0.63 -0.83 0.04 0.00 -0.71 0.00 0.00 39.64 38.77 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 0.79 -3.61 1.39 0.00 -1.26 -5.09 119.36 110.00 1shi n ILE 40 Ca 0.05 -2.14 -0.02 0.00 0.00 0.00 0.00 62.75 60.63 1shi n ILE 40 Cb 0.24 1.03 -0.02 0.00 0.00 0.00 0.00 39.64 40.89 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 -2.11 -2.16 0.00 1.51 0.00 -1.21 -4.84 121.76 112.95 1shi s ALA 41 Ca 0.31 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.81 1shi s ALA 41 Cb 0.36 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.36 1shi s ALA 41 CO -0.10 -0.67 0.00 -3.47 0.00 0.00 0.00 175.76 171.52 1shi n ASP 42 N -0.15 0.35 -3.35 0.00 2.03 -1.26 -1.18 116.55 112.98 1shi n ASP 42 Ca 0.00 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.20 1shi n ASP 42 Cb 0.59 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.91 1shi n ASP 42 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1shi s ARG 45 N -0.37 3.80 -0.87 0.00 3.52 -0.74 -2.02 118.95 122.28 1shi s ARG 45 Ca 0.03 -0.04 -0.19 0.00 -0.13 0.00 0.00 55.73 55.40 1shi s ARG 45 Cb -0.12 -3.74 -0.22 0.00 -1.56 0.00 0.00 34.95 29.31 1shi s ARG 45 CO 0.02 -0.48 2.32 1.17 -0.81 0.00 0.00 175.30 177.52 1shi n LYS 46 N 5.57 0.34 -3.05 5.12 4.81 -1.25 -0.70 118.16 128.99 1shi n LYS 46 Ca -0.06 -0.46 -0.00 0.00 -0.87 0.00 0.00 58.31 56.92 1shi n LYS 46 Cb 0.50 -2.56 -0.00 0.00 0.02 0.00 0.00 35.03 32.98 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 7.50 -1.34 0.00 1.64 5.02 -1.11 -4.90 118.16 124.97 1shi n LYS 47 Ca 0.56 1.40 0.00 0.00 -2.02 0.00 0.00 58.31 58.24 1shi n LYS 47 Cb 0.31 -1.93 0.00 0.00 -0.02 0.00 0.00 35.03 33.38 1shi n LYS 47 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05