#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1o n LYS 4 N 0.00 0.00 -3.71 9.51 0.00 -1.26 -5.05 118.16 117.65 3i1o n LYS 4 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 3i1o n LYS 4 Cb 0.00 -0.44 -0.13 0.00 -0.00 0.00 0.00 35.03 34.46 3i1o n LYS 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3i1o s VAL 5 N -0.55 -0.12 -0.01 0.58 1.01 -1.26 -5.09 120.40 114.97 3i1o s VAL 5 Ca 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.11 3i1o s VAL 5 Cb 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 3i1o s VAL 5 CO 0.00 0.07 -0.06 0.54 0.00 0.00 0.00 175.10 175.65 3i1o n ARG 6 N 4.47 0.09 -2.89 2.72 1.74 -1.26 -5.11 116.66 116.43 3i1o n ARG 6 Ca -0.21 0.04 -0.02 0.00 -0.77 0.00 0.00 57.85 56.88 3i1o n ARG 6 Cb 0.53 -0.50 -0.02 0.00 -1.02 0.00 0.00 32.46 31.45 3i1o n ARG 6 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3i1o n GLU 7 N -3.08 -2.63 0.00 5.56 1.02 -1.26 -5.03 120.64 115.21 3i1o n GLU 7 Ca -0.02 2.16 0.00 0.00 -0.02 0.00 0.00 57.16 59.27 3i1o n GLU 7 Cb 0.09 -2.77 0.00 0.00 -0.02 0.00 0.00 31.44 28.75 3i1o n GLU 7 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3i1o n ASN 8 N 2.00 0.00 -0.14 1.62 5.15 -1.26 -4.95 115.26 117.68 3i1o n ASN 8 Ca -0.16 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.82 3i1o n ASN 8 Cb 0.30 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.55 3i1o n ASN 8 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3i1o n GLU 9 N 0.00 0.00 -5.15 1.20 4.71 -1.26 -4.68 120.64 115.47 3i1o n GLU 9 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.16 56.83 3i1o n GLU 9 Cb 0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 31.44 30.27 3i1o n GLU 9 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 3i1o s PRO 10 N 0.00 3.01 0.00 3.49 0.04 -1.26 -5.10 135.00 135.17 3i1o s PRO 10 Ca 0.00 -0.85 0.00 0.00 0.04 0.00 0.00 61.00 60.19 3i1o s PRO 10 Cb 0.00 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.21 3i1o s PRO 10 CO 0.00 0.23 0.00 1.97 0.04 0.00 0.00 177.00 179.24 3i1o n PHE 11 N 3.39 0.00 -2.66 0.56 1.16 -1.26 -5.06 117.46 113.59 3i1o n PHE 11 Ca -0.19 0.00 -0.26 0.00 -1.87 0.00 0.00 57.45 55.14 3i1o n PHE 11 Cb 0.53 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.39 3i1o n PHE 11 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 3i1o n ASP 12 N 0.00 4.35 -4.53 5.98 2.03 -1.26 -5.02 116.55 118.09 3i1o n ASP 12 Ca 0.00 -3.63 -0.43 0.00 0.52 0.00 0.00 54.79 51.25 3i1o n ASP 12 Cb 0.00 -0.50 -0.06 0.00 -0.72 0.00 0.00 41.12 39.84 3i1o n ASP 12 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3i1o s VAL 13 N -4.98 4.72 -0.00 5.18 0.11 -1.26 -4.93 120.40 119.24 3i1o s VAL 13 Ca 0.47 0.28 -0.25 0.00 -2.93 0.00 0.00 61.98 59.55 3i1o s VAL 13 Cb 0.36 -4.28 -0.19 0.00 -1.53 0.00 0.00 36.38 30.74 3i1o s VAL 13 CO -0.16 -0.68 1.35 0.00 -3.33 0.00 0.00 175.10 172.29 3i1o h ALA 14 N 8.94 -0.01 -2.17 1.54 0.00 -2.05 -3.49 119.26 122.03 3i1o h ALA 14 Ca -0.25 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3i1o h ALA 14 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3i1o h ALA 14 CO 0.93 -0.31 0.00 1.47 0.00 0.00 0.00 179.25 181.35 3i1o n LEU 15 N -4.90 0.00 -2.55 0.00 -0.00 -1.26 -4.94 117.00 103.34 3i1o n LEU 15 Ca -0.08 0.64 -0.19 0.00 -0.00 0.00 0.00 56.01 56.38 3i1o n LEU 15 Cb 0.21 -0.96 0.01 0.00 -0.00 0.00 0.00 43.42 42.68 3i1o n LEU 15 CO 0.33 -0.57 0.06 -1.14 -0.00 0.00 0.00 177.39 176.07 3i1o n ARG 16 N 1.40 2.46 -0.00 1.47 3.00 -1.26 -4.80 116.66 118.93 3i1o n ARG 16 Ca 0.00 -3.97 0.19 0.00 -0.00 0.00 0.00 57.85 54.07 3i1o n ARG 16 Cb 0.00 -1.82 0.67 0.00 0.00 0.00 0.00 32.46 31.31 3i1o n ARG 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i1o h ARG 17 N 2.75 0.04 -0.07 -0.14 -0.00 -1.96 -2.17 114.38 112.84 3i1o h ARG 17 Ca 0.13 -0.00 0.02 0.00 -0.50 0.00 0.00 59.98 59.63 3i1o h ARG 17 Cb 1.04 -0.01 -0.00 0.00 0.00 0.00 0.00 29.97 31.00 3i1o h ARG 17 CO 0.70 0.03 0.06 0.74 0.00 0.00 0.00 179.97 181.49 3i1o h PHE 18 N 0.04 0.00 0.06 3.04 0.05 -1.95 0.52 116.94 118.70 3i1o h PHE 18 Ca 0.25 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 62.03 3i1o h PHE 18 Cb 0.93 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.88 3i1o h PHE 18 CO -0.00 0.00 -0.03 0.87 -0.18 0.00 0.00 178.31 178.97 3i1o h LYS 19 N 0.00 -0.08 -0.13 1.51 1.79 -1.75 -1.49 116.57 116.41 3i1o h LYS 19 Ca 0.03 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 3i1o h LYS 19 Cb 0.15 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 3i1o h LYS 19 CO -0.00 0.31 0.00 0.54 -1.08 0.00 0.00 179.45 179.22 3i1o n ARG 20 N -4.94 0.61 0.00 3.15 5.12 0.11 -1.76 116.66 118.96 3i1o n ARG 20 Ca -0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 3i1o n ARG 20 Cb 0.22 -1.06 0.00 0.00 -1.16 0.00 0.00 32.46 30.46 3i1o n ARG 20 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3i1o n SER 21 N -0.35 0.27 0.00 0.55 2.88 0.14 -5.03 113.62 112.08 3i1o n SER 21 Ca 0.00 -0.62 0.00 0.00 -1.33 0.00 0.00 58.87 56.92 3i1o n SER 21 Cb 0.03 0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 3i1o n SER 21 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i1o n GLU 23 N 0.00 0.00 0.00 0.00 1.02 -1.26 -4.56 120.64 115.84 3i1o n GLU 23 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3i1o n GLU 23 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3i1o n GLU 23 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3i1o n LYS 24 N 0.00 0.00 -0.36 3.49 3.00 -1.26 -2.45 118.16 120.58 3i1o n LYS 24 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.36 3i1o n LYS 24 Cb 0.00 0.00 0.21 0.00 0.00 0.00 0.00 35.03 35.24 3i1o n LYS 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i1o h ALA 25 N -0.72 1.47 -0.87 3.14 0.00 -1.90 -3.06 119.26 117.32 3i1o h ALA 25 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i1o h ALA 25 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3i1o h ALA 25 CO 0.00 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.00 3i1o n GLY 26 N -1.36 -1.67 0.28 0.00 0.00 -1.02 0.27 105.19 101.68 3i1o n GLY 26 Ca 0.17 0.34 0.05 0.00 0.00 0.00 0.00 46.02 46.59 3i1o n GLY 26 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i1o n VAL 27 N -1.43 0.17 -0.03 1.61 0.31 -1.20 -3.11 118.33 114.64 3i1o n VAL 27 Ca 0.00 -0.19 -0.07 0.00 -0.01 0.00 0.00 64.34 64.07 3i1o n VAL 27 Cb 0.00 0.07 -0.02 0.00 -0.91 0.00 0.00 33.84 32.98 3i1o n VAL 27 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3i1o n LEU 28 N -0.13 1.45 -0.32 7.52 0.00 0.19 -4.05 117.00 121.66 3i1o n LEU 28 Ca 0.09 0.23 0.20 0.00 0.00 0.00 0.00 56.01 56.53 3i1o n LEU 28 Cb 0.16 -0.53 0.41 0.00 0.00 0.00 0.00 43.42 43.46 3i1o n LEU 28 CO 0.07 -0.35 1.03 0.00 0.00 0.00 0.00 177.39 178.14 3i1o h ALA 29 N -0.52 1.69 -0.04 1.96 0.00 0.36 -0.41 119.26 122.29 3i1o h ALA 29 Ca -0.07 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3i1o h ALA 29 Cb 0.68 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3i1o h ALA 29 CO -0.04 -0.58 -0.05 0.93 0.00 0.00 0.00 179.25 179.51 3i1o h GLU 30 N 0.23 -0.03 0.00 0.00 5.08 -1.59 -3.38 114.58 114.89 3i1o h GLU 30 Ca 0.68 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.04 3i1o h GLU 30 Cb 1.52 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.77 3i1o h GLU 30 CO -0.66 -0.02 0.00 0.28 -1.00 0.00 0.00 179.01 177.61 3i1o n VAL 31 N -2.97 0.00 0.00 3.13 0.31 -0.21 -4.48 118.33 114.12 3i1o n VAL 31 Ca -0.00 0.53 0.00 0.00 -0.01 0.00 0.00 64.34 64.86 3i1o n VAL 31 Cb 0.03 -1.39 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 3i1o n VAL 31 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3i1o n ARG 32 N -0.11 0.00 -4.87 5.55 0.00 -0.94 -4.32 116.66 111.97 3i1o n ARG 32 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.53 3i1o n ARG 32 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.33 3i1o n ARG 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3i1o s ARG 33 N 0.00 2.38 0.39 -0.14 3.52 -1.26 -5.07 118.95 118.77 3i1o s ARG 33 Ca 0.00 -0.78 0.00 0.00 -0.13 0.00 0.00 55.73 54.82 3i1o s ARG 33 Cb 0.00 -2.31 0.00 0.00 -1.56 0.00 0.00 34.95 31.08 3i1o s ARG 33 CO 0.00 0.60 0.00 -2.13 -0.81 0.00 0.00 175.30 172.96 3i1o n ARG 34 N 2.13 -3.33 0.00 5.12 0.63 -1.26 -4.97 116.66 114.99 3i1o n ARG 34 Ca -0.17 2.49 0.00 0.00 -0.92 0.00 0.00 57.85 59.25 3i1o n ARG 34 Cb 0.52 -2.99 0.00 0.00 0.45 0.00 0.00 32.46 30.44 3i1o n ARG 34 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 3i1o n GLU 35 N -1.08 2.17 0.00 -0.14 4.07 -1.26 -5.00 120.64 119.40 3i1o n GLU 35 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3i1o n GLU 35 Cb 0.04 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.42 3i1o n GLU 35 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 3i1o n PHE 36 N 0.00 0.00 0.00 4.31 0.99 -1.26 -5.06 117.46 116.44 3i1o n PHE 36 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3i1o n PHE 36 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.48 3i1o n PHE 36 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.76 177.74 3i1o n TYR 37 N 0.00 0.00 0.00 1.38 -0.00 -1.26 -2.78 117.16 114.50 3i1o n TYR 37 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 3i1o n TYR 37 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 3i1o n TYR 37 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 3i1o n GLU 38 N -0.17 0.00 -0.01 2.98 -0.58 -1.26 -4.88 120.64 116.73 3i1o n GLU 38 Ca 0.00 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.82 3i1o n GLU 38 Cb 0.00 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 30.73 3i1o n GLU 38 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3i1o n LYS 39 N 0.00 0.58 0.00 3.49 4.81 -1.12 -4.12 118.16 121.80 3i1o n LYS 39 Ca 0.00 -0.16 0.13 0.00 -0.87 0.00 0.00 58.31 57.41 3i1o n LYS 39 Cb 0.00 -1.43 0.38 0.00 0.02 0.00 0.00 35.03 34.00 3i1o n LYS 39 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3i1o n PRO 40 N -2.15 0.01 0.11 1.64 -0.04 -1.26 -2.56 135.00 130.75 3i1o n PRO 40 Ca -0.04 -0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.32 3i1o n PRO 40 Cb 0.50 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.39 3i1o n PRO 40 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3i1o h THR 41 N 0.01 0.48 -0.40 0.52 2.02 -1.90 -1.27 112.91 112.36 3i1o h THR 41 Ca 0.00 -0.88 -0.01 0.00 0.77 0.00 0.00 66.41 66.28 3i1o h THR 41 Cb 0.50 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 3i1o h THR 41 CO 0.00 0.12 0.19 0.71 0.37 0.00 0.00 175.52 176.92 3i1o h THR 42 N -0.97 1.17 0.00 3.16 1.35 -1.72 -1.86 112.91 114.05 3i1o h THR 42 Ca -0.04 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 3i1o h THR 42 Cb 0.47 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 3i1o h THR 42 CO 0.06 0.19 0.00 1.21 -0.25 0.00 0.00 175.52 176.73 3i1o n GLU 43 N -4.69 0.00 0.33 4.72 4.07 -1.06 0.07 120.64 124.08 3i1o n GLU 43 Ca 0.00 0.24 0.21 0.00 -0.06 0.00 0.00 57.16 57.55 3i1o n GLU 43 Cb 0.11 -1.00 1.12 0.00 -0.06 0.00 0.00 31.44 31.61 3i1o n GLU 43 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 3i1o h ARG 44 N 0.00 0.00 0.00 5.31 9.65 -1.34 0.79 114.38 128.79 3i1o h ARG 44 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3i1o h ARG 44 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 3i1o h ARG 44 CO 0.00 0.00 -0.31 1.17 2.80 0.00 0.00 179.97 183.63 3i1o n LYS 45 N -3.16 0.09 0.03 0.20 4.81 -0.70 -2.42 118.16 117.01 3i1o n LYS 45 Ca -0.03 0.04 0.11 0.00 -0.87 0.00 0.00 58.31 57.57 3i1o n LYS 45 Cb 0.13 -1.58 0.08 0.00 0.02 0.00 0.00 35.03 33.68 3i1o n LYS 45 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3i1o n ARG 46 N -1.72 0.22 0.00 1.64 5.12 0.26 -3.40 116.66 118.78 3i1o n ARG 46 Ca 0.06 0.01 0.14 0.00 -1.93 0.00 0.00 57.85 56.13 3i1o n ARG 46 Cb 0.37 -1.59 0.71 0.00 -1.16 0.00 0.00 32.46 30.79 3i1o n ARG 46 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i1o n ALA 47 N -1.75 2.41 0.23 7.54 0.00 -0.27 -3.11 120.51 125.56 3i1o n ALA 47 Ca 0.03 -0.13 -0.10 0.00 0.00 0.00 0.00 53.44 53.24 3i1o n ALA 47 Cb 0.41 -1.47 -0.05 0.00 0.00 0.00 0.00 19.45 18.35 3i1o n ALA 47 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3i1o h LYS 48 N 0.00 -0.63 0.00 0.00 3.64 -1.55 -3.19 116.57 114.84 3i1o h LYS 48 Ca 0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3i1o h LYS 48 Cb 0.29 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3i1o h LYS 48 CO 0.00 -0.42 0.13 0.00 -2.27 0.00 0.00 179.45 176.89 3i1o n ALA 49 N -2.72 0.82 -0.01 5.00 0.00 -1.18 -1.06 120.51 121.36 3i1o n ALA 49 Ca -0.08 0.10 -0.00 0.00 0.00 0.00 0.00 53.44 53.45 3i1o n ALA 49 Cb 0.26 -0.95 -0.00 0.00 0.00 0.00 0.00 19.45 18.76 3i1o n ALA 49 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3i1o h SER 50 N 0.00 -0.03 0.00 0.00 0.02 -1.65 -3.38 113.55 108.52 3i1o h SER 50 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3i1o h SER 50 Cb 0.27 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.81 3i1o h SER 50 CO 0.00 0.20 0.00 0.00 -1.14 0.00 0.00 176.83 175.89 3i1o n ALA 51 N -2.36 2.43 1.03 3.77 0.00 -0.22 -3.39 120.51 121.77 3i1o n ALA 51 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3i1o n ALA 51 Cb 0.01 -1.15 0.04 0.00 0.00 0.00 0.00 19.45 18.36 3i1o n ALA 51 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3i1o n VAL 52 N 1.06 0.00 1.31 0.00 3.14 -1.16 -5.04 118.33 117.65 3i1o n VAL 52 Ca 0.00 -0.09 0.10 0.00 -2.96 0.00 0.00 64.34 61.39 3i1o n VAL 52 Cb 0.30 0.87 0.62 0.00 -1.06 0.00 0.00 33.84 34.57 3i1o n VAL 52 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54