#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 -2.31 0.00 0.00 0.00 -1.26 -4.94 120.51 112.00 1shi n ALA 2 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1shi n ALA 2 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 17.97 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 0.00 -0.90 0.56 0.00 3.01 -1.26 -0.61 119.74 120.54 1shi s LYS 4 Ca 0.00 -0.08 0.08 0.00 -1.01 0.00 0.00 55.97 54.97 1shi s LYS 4 Cb 0.00 -1.64 0.08 0.00 -1.01 0.00 0.00 37.83 35.26 1shi s LYS 4 CO 0.00 -3.49 0.77 0.00 0.51 0.00 0.00 175.35 173.14 1shi h ASP 6 N 0.18 0.32 0.00 0.00 1.82 0.15 -3.40 116.42 115.49 1shi h ASP 6 Ca -0.32 0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.44 1shi h ASP 6 Cb 1.28 0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.38 1shi h ASP 6 CO 0.42 -0.10 0.00 -0.67 -1.61 0.00 0.00 179.24 177.28 1shi n ASP 7 N -4.69 0.00 -0.10 2.28 2.03 -1.26 -5.00 116.55 109.81 1shi n ASP 7 Ca 0.33 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.68 1shi n ASP 7 Cb 1.23 0.00 0.23 0.00 -0.72 0.00 0.00 41.12 41.86 1shi n ASP 7 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1shi n GLU 8 N 0.00 1.13 0.00 -0.67 -0.58 -1.26 -4.91 120.64 114.35 1shi n GLU 8 Ca 0.00 -0.20 0.00 0.00 -0.42 0.00 0.00 57.16 56.54 1shi n GLU 8 Cb 0.00 -1.15 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 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 0.70 0.92 0.12 0.62 0.00 -1.26 -4.97 105.19 101.32 1shi n GLY 9 Ca 0.07 -1.10 -0.19 0.00 0.00 0.00 0.00 46.02 44.80 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 0.35 0.00 1.61 0.13 -2.03 -3.41 132.00 128.66 1shi h PRO 10 Ca 0.00 -0.60 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 1shi h PRO 10 Cb 0.00 0.22 0.00 0.00 0.13 0.00 0.00 31.00 31.35 1shi h PRO 10 CO 0.00 1.28 0.00 -0.25 -0.23 0.00 0.00 178.00 178.80 1shi n ASP 11 N -3.58 -0.89 -4.57 1.44 9.92 -1.26 -4.57 116.55 113.05 1shi n ASP 11 Ca -0.12 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 53.90 1shi n ASP 11 Cb 1.05 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 41.47 1shi n ASP 11 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1shi s ILE 12 N -0.44 3.39 0.00 0.53 -1.09 -1.26 -4.70 121.20 117.63 1shi s ILE 12 Ca 0.00 -0.46 0.00 0.00 -2.23 0.00 0.00 60.65 57.96 1shi s ILE 12 Cb 0.00 -4.04 0.00 0.00 -1.58 0.00 0.00 42.46 36.84 1shi s ILE 12 CO 0.00 -0.79 0.29 -2.11 -1.23 0.00 0.00 174.94 171.10 1shi n ARG 13 N 8.65 0.00 -0.01 2.79 1.85 -1.26 -4.59 116.66 124.08 1shi n ARG 13 Ca 0.42 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 57.26 1shi n ARG 13 Cb 0.46 -0.36 -0.00 0.00 -1.05 0.00 0.00 32.46 31.51 1shi n ARG 13 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 1shi h THR 14 N 2.22 0.00 -2.84 8.89 1.35 -1.93 -3.48 112.91 117.12 1shi h THR 14 Ca 0.00 -0.21 0.27 0.00 -0.55 0.00 0.00 66.41 65.92 1shi h THR 14 Cb 0.29 0.00 -0.12 0.00 -1.73 0.00 0.00 68.15 66.58 1shi h THR 14 CO 0.29 0.00 -0.77 0.00 -0.25 0.00 0.00 175.52 174.78 1shi n ALA 15 N -2.52 -3.30 0.82 6.62 0.00 -1.26 -4.11 120.51 116.75 1shi n ALA 15 Ca -0.01 0.59 0.01 0.00 0.00 0.00 0.00 53.44 54.03 1shi n ALA 15 Cb 0.05 -1.26 0.07 0.00 0.00 0.00 0.00 19.45 18.32 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 -3.83 1.65 -3.24 0.00 -0.04 -1.26 -4.87 135.00 123.41 1shi n PRO 16 Ca -0.04 -0.56 -0.15 0.00 -0.04 0.00 0.00 63.50 62.70 1shi n PRO 16 Cb 0.60 -1.55 0.08 0.00 -0.04 0.00 0.00 33.50 32.59 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 0.08 -4.42 0.00 1.53 7.99 -1.26 -4.86 117.00 116.06 1shi n LEU 17 Ca 0.05 -0.60 0.12 0.00 -0.01 0.00 0.00 56.01 55.57 1shi n LEU 17 Cb 0.37 -2.95 0.66 0.00 -0.11 0.00 0.00 43.42 41.39 1shi n LEU 17 CO 0.05 0.25 0.92 0.35 -1.51 0.00 0.00 177.39 177.46 1shi n THR 18 N -3.59 0.16 -2.63 -5.08 -2.24 -1.25 -4.44 114.28 95.21 1shi n THR 18 Ca -0.19 0.04 -0.41 0.00 -2.27 0.00 0.00 64.05 61.22 1shi n THR 18 Cb 0.64 -0.63 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 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 -2.43 2.91 -0.09 3.38 0.00 0.22 -4.50 107.32 106.81 1shi s GLY 19 Ca 0.27 0.68 0.04 0.00 0.00 0.00 0.00 44.72 45.71 1shi s GLY 19 CO 0.36 1.57 -0.23 -1.59 0.00 0.00 0.00 173.10 173.21 1shi s THR 20 N 0.00 2.22 -0.14 0.90 2.01 -0.98 -3.03 115.64 116.62 1shi s THR 20 Ca 0.49 -0.98 -0.29 0.00 0.31 0.00 0.00 61.69 61.21 1shi s THR 20 Cb -0.26 -1.85 -0.03 0.00 0.01 0.00 0.00 72.50 70.38 1shi s THR 20 CO 0.31 0.56 1.49 -0.69 -0.69 0.00 0.00 174.62 175.60 1shi s VAL 21 N 0.14 3.88 -0.89 3.82 1.01 -1.26 -1.62 120.40 125.48 1shi s VAL 21 Ca -0.12 1.05 -0.12 0.00 0.00 0.00 0.00 61.98 62.79 1shi s VAL 21 Cb -0.16 -3.74 0.23 0.00 0.00 0.00 0.00 36.38 32.71 1shi s VAL 21 CO 0.07 -0.16 0.84 -1.81 0.00 0.00 0.00 175.10 174.04 1shi s ASP 22 N 3.02 6.84 -0.43 3.32 1.11 -1.26 -4.66 116.67 124.60 1shi s ASP 22 Ca 0.65 -2.93 -0.38 0.00 0.18 0.00 0.00 52.55 50.07 1shi s ASP 22 Cb -0.27 -2.19 -0.14 0.00 1.07 0.00 0.00 42.92 41.39 1shi s ASP 22 CO 0.24 -0.49 2.20 0.18 1.18 0.00 0.00 175.17 178.47 1shi n LEU 23 N 3.63 1.55 0.00 1.23 7.99 -1.26 -1.69 117.00 128.45 1shi n LEU 23 Ca 0.16 0.48 0.00 0.00 -0.01 0.00 0.00 56.01 56.64 1shi n LEU 23 Cb 0.45 -1.12 0.00 0.00 -0.11 0.00 0.00 43.42 42.64 1shi n LEU 23 CO 0.36 -0.76 0.00 0.61 -1.51 0.00 0.00 177.39 176.09 1shi n GLY 24 N 6.89 1.47 0.66 -0.72 0.00 -1.24 -5.01 105.19 107.24 1shi n GLY 24 Ca 0.47 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.58 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 -3.82 -4.22 1.61 2.88 -0.68 -4.84 113.62 104.55 1shi n SER 25 Ca 0.00 0.53 -0.34 0.00 -1.33 0.00 0.00 58.87 57.73 1shi n SER 25 Cb 0.00 -2.16 0.09 0.00 -0.75 0.00 0.00 64.21 61.39 1shi n SER 25 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1shi n ASN 27 N 0.62 1.50 -4.68 0.00 5.03 -1.26 -5.06 115.26 111.40 1shi n ASN 27 Ca 0.02 -0.67 -0.40 0.00 0.87 0.00 0.00 54.58 54.40 1shi n ASN 27 Cb 0.58 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 39.29 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 -2.00 3.48 0.00 5.41 0.00 -1.26 -3.55 121.76 123.84 1shi s ALA 28 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.87 1shi s ALA 28 Cb 0.00 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 20.11 1shi s ALA 28 CO 0.00 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.74 1shi n GLY 29 N 3.51 1.50 3.97 0.00 0.00 -1.26 -5.06 105.19 107.85 1shi n GLY 29 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.42 3.46 -0.18 1.61 0.52 -1.23 -2.67 118.94 118.02 1shi s TRP 30 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 56.10 56.13 1shi s TRP 30 Cb 0.00 -1.59 0.04 0.00 -1.15 0.00 0.00 33.47 30.77 1shi s TRP 30 CO 0.00 0.45 -0.10 -1.83 0.02 0.00 0.00 176.95 175.50 1shi s GLU 31 N -3.86 1.91 0.66 4.98 -1.05 -0.87 -4.74 118.70 115.73 1shi s GLU 31 Ca 0.34 -0.70 -0.17 0.00 -0.15 0.00 0.00 54.97 54.29 1shi s GLU 31 Cb -0.09 -2.24 -0.11 0.00 -0.44 0.00 0.00 34.13 31.24 1shi s GLU 31 CO 0.29 -0.39 0.03 1.17 0.95 0.00 0.00 175.26 177.30 1shi n LYS 32 N 4.75 0.15 0.00 -4.83 4.81 -1.26 -1.81 118.16 119.96 1shi n LYS 32 Ca -0.14 0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 1shi n LYS 32 Cb 0.47 -1.32 0.00 0.00 0.02 0.00 0.00 35.03 34.20 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 -0.71 -0.01 0.00 0.00 0.00 -0.91 0.18 121.76 120.31 1shi s ALA 34 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.02 1shi s ALA 34 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.08 1shi s ALA 34 CO 0.00 -0.02 0.92 0.45 0.00 0.00 0.00 175.76 177.12 1shi n SER 35 N 3.22 0.00 -3.73 0.00 2.88 -1.26 -3.90 113.62 110.84 1shi n SER 35 Ca -0.14 0.92 -0.28 0.00 -1.33 0.00 0.00 58.87 58.04 1shi n SER 35 Cb 0.59 -0.42 -0.12 0.00 -0.75 0.00 0.00 64.21 63.51 1shi n SER 35 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1shi s TYR 36 N -2.70 2.62 0.00 0.66 5.04 -1.26 -4.85 117.35 116.86 1shi s TYR 36 Ca 0.00 -2.92 0.00 0.00 -2.44 0.00 0.00 57.07 51.71 1shi s TYR 36 Cb 0.00 -2.08 0.00 0.00 0.35 0.00 0.00 41.96 40.23 1shi s TYR 36 CO 0.00 -0.67 0.00 0.98 -1.34 0.00 0.00 175.55 174.52 1shi n TYR 37 N 2.48 0.00 0.00 4.97 9.36 -1.15 -4.83 117.16 127.99 1shi n TYR 37 Ca 0.21 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.43 1shi n TYR 37 Cb 0.39 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.10 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 0.00 0.00 0.07 2.97 5.66 -1.17 -5.00 114.28 116.81 1shi n THR 38 Ca 0.00 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.01 1shi n THR 38 Cb 0.00 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 68.79 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 0.00 -1.10 1.09 2.08 -1.26 -4.62 119.36 115.55 1shi n ILE 39 Ca 0.00 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.81 1shi n ILE 39 Cb 0.00 1.04 0.00 0.00 -0.75 0.00 0.00 39.64 39.93 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 0.09 0.00 -4.07 1.39 -0.00 -1.26 -5.10 119.36 110.41 1shi n ILE 40 Ca 0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 62.75 62.66 1shi n ILE 40 Cb 0.04 0.93 -0.07 0.00 -0.00 0.00 0.00 39.64 40.54 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 0.00 0.25 0.00 -1.39 0.00 -1.26 -3.68 121.76 115.68 1shi s ALA 41 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1shi s ALA 41 Cb 0.00 1.18 0.00 0.00 0.00 0.00 0.00 23.12 24.30 1shi s ALA 41 CO 0.00 -0.76 0.20 -0.25 0.00 0.00 0.00 175.76 174.95 1shi n ASP 42 N -0.34 0.41 -1.75 0.00 8.00 -1.26 -2.96 116.55 118.65 1shi n ASP 42 Ca -0.00 -0.83 -0.01 0.00 0.71 0.00 0.00 54.79 54.66 1shi n ASP 42 Cb 0.63 0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.86 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 1.54 4.33 0.08 0.00 3.00 -0.75 -2.31 118.95 124.83 1shi s ARG 45 Ca 0.09 0.40 -0.32 0.00 -1.00 0.00 0.00 55.73 54.90 1shi s ARG 45 Cb -0.15 -3.44 -0.11 0.00 0.00 0.00 0.00 34.95 31.25 1shi s ARG 45 CO 0.09 0.17 1.82 1.17 0.00 0.00 0.00 175.30 178.54 1shi n LYS 46 N 3.67 2.58 -1.53 5.12 3.00 -1.26 -2.05 118.16 127.69 1shi n LYS 46 Ca -0.08 0.94 -0.28 0.00 -0.00 0.00 0.00 58.31 58.90 1shi n LYS 46 Cb 0.52 -2.81 -0.11 0.00 0.00 0.00 0.00 35.03 32.63 1shi n LYS 46 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1shi n LYS 47 N 5.62 0.47 0.00 1.64 5.02 -1.09 -4.93 118.16 124.89 1shi n LYS 47 Ca 0.19 -0.25 0.04 0.00 -2.02 0.00 0.00 58.31 56.27 1shi n LYS 47 Cb 0.35 -2.61 0.03 0.00 -0.02 0.00 0.00 35.03 32.78 1shi n LYS 47 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24