#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9e n ARG 6 N 0.00 3.88 0.00 5.55 3.00 -1.26 -5.05 116.66 122.78 3i9e n ARG 6 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3i9e n ARG 6 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3i9e n ARG 6 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 3i9e n ILE 7 N 0.00 0.00 0.00 5.15 0.13 -1.26 -4.64 119.36 118.74 3i9e n ILE 7 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 3i9e n ILE 7 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 3i9e n ILE 7 CO 0.00 0.00 0.00 2.29 2.80 0.00 0.00 176.55 181.64 3i9e n LYS 8 N 0.00 0.00 0.00 9.51 2.85 -1.26 -4.71 118.16 124.55 3i9e n LYS 8 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3i9e n LYS 8 Cb 0.00 -3.79 0.00 0.00 -0.65 0.00 0.00 35.03 30.59 3i9e n LYS 8 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3i9e n LEU 9 N 0.00 0.00 0.00 -5.58 4.77 -1.26 -3.61 117.00 111.33 3i9e n LEU 9 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3i9e n LEU 9 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3i9e n LEU 9 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.39 175.95 3i9e n LEU 10 N 0.00 0.00 -4.53 2.23 7.94 -1.24 -4.78 117.00 116.62 3i9e n LEU 10 Ca 0.00 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.62 3i9e n LEU 10 Cb 0.00 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.85 3i9e n LEU 10 CO 0.00 0.00 -0.45 -0.76 -1.11 0.00 0.00 177.39 175.07 3i9e s LEU 11 N 0.00 2.84 0.07 -1.96 2.01 -1.26 -4.83 118.68 115.54 3i9e s LEU 11 Ca 0.00 -0.60 0.04 0.00 0.01 0.00 0.00 54.13 53.59 3i9e s LEU 11 Cb 0.00 -1.58 -0.03 0.00 0.01 0.00 0.00 46.19 44.59 3i9e s LEU 11 CO 0.00 0.13 -0.13 -1.83 1.01 0.00 0.00 176.35 175.53 3i9e s GLU 12 N -2.59 0.75 0.00 1.70 1.03 -1.25 -1.89 118.70 116.46 3i9e s GLU 12 Ca 0.22 -0.91 0.00 0.00 0.03 0.00 0.00 54.97 54.31 3i9e s GLU 12 Cb -0.09 -0.70 0.00 0.00 -0.80 0.00 0.00 34.13 32.54 3i9e s GLU 12 CO 0.13 0.15 0.00 0.00 -1.33 0.00 0.00 175.26 174.21 3i9e n THR 14 N 0.00 0.00 0.00 0.00 5.66 -1.04 -3.47 114.28 115.43 3i9e n THR 14 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3i9e n THR 14 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3i9e n THR 14 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3i9e n GLU 15 N 0.00 0.00 0.00 1.09 1.02 -1.26 0.61 120.64 122.10 3i9e n GLU 15 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3i9e n GLU 15 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3i9e n GLU 15 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i9e s LYS 17 N -0.51 0.48 0.00 0.00 2.20 -1.26 -4.84 119.74 115.81 3i9e s LYS 17 Ca 0.00 0.69 0.00 0.00 -0.36 0.00 0.00 55.97 56.30 3i9e s LYS 17 Cb 0.00 0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.47 3i9e s LYS 17 CO 0.00 -0.10 0.00 -2.13 -0.36 0.00 0.00 175.35 172.76 3i9e n ARG 18 N 3.40 0.00 -1.46 4.03 0.00 -1.26 -4.95 116.66 116.42 3i9e n ARG 18 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.68 3i9e n ARG 18 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.02 3i9e n ARG 18 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 3i9e n ARG 19 N -1.70 0.00 0.09 -0.14 3.00 -1.26 -5.05 116.66 111.60 3i9e n ARG 19 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3i9e n ARG 19 Cb 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 32.46 31.97 3i9e n ARG 19 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 3i9e n ASN 20 N 0.79 -0.77 0.00 6.15 6.94 -1.26 -5.04 115.26 122.07 3i9e n ASN 20 Ca 0.00 0.32 0.00 0.00 -0.02 0.00 0.00 54.58 54.88 3i9e n ASN 20 Cb 0.00 0.88 0.00 0.00 -2.36 0.00 0.00 39.78 38.30 3i9e n ASN 20 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 3i9e n TYR 21 N -2.99 0.00 -4.20 -2.53 0.53 -1.25 -4.96 117.16 101.75 3i9e n TYR 21 Ca 0.00 0.00 -0.19 0.00 -1.02 0.00 0.00 57.90 56.69 3i9e n TYR 21 Cb 0.00 0.00 -0.16 0.00 -1.03 0.00 0.00 39.34 38.15 3i9e n TYR 21 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3i9e s ALA 22 N -2.84 0.63 -0.39 -0.72 0.00 -1.23 -4.71 121.76 112.49 3i9e s ALA 22 Ca 0.00 -0.14 -0.27 0.00 0.00 0.00 0.00 51.96 51.55 3i9e s ALA 22 Cb 0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 23.12 22.76 3i9e s ALA 22 CO 0.00 0.06 2.32 0.95 0.00 0.00 0.00 175.76 179.09 3i9e s THR 23 N 0.46 3.02 0.00 0.00 -4.23 -1.26 -1.30 115.64 112.33 3i9e s THR 23 Ca -0.06 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.47 3i9e s THR 23 Cb -0.10 -3.04 0.00 0.00 1.34 0.00 0.00 72.50 70.70 3i9e s THR 23 CO 0.00 -0.03 0.00 -0.62 -0.54 0.00 0.00 174.62 173.43 3i9e n GLU 24 N 8.92 0.38 -3.64 3.99 -0.58 -0.79 -5.00 120.64 123.92 3i9e n GLU 24 Ca 0.34 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 57.04 3i9e n GLU 24 Cb 0.51 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.33 3i9e n GLU 24 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3i9e s LYS 25 N 1.86 0.16 -0.00 3.49 2.20 -1.15 -4.09 119.74 122.20 3i9e s LYS 25 Ca 0.00 0.10 -0.03 0.00 -0.36 0.00 0.00 55.97 55.68 3i9e s LYS 25 Cb 0.00 0.08 -0.00 0.00 -1.51 0.00 0.00 37.83 36.39 3i9e s LYS 25 CO 0.00 -0.04 0.05 1.21 -0.36 0.00 0.00 175.35 176.21 3i9e s ASN 26 N -0.55 0.05 -0.42 1.43 2.47 -1.26 -4.70 114.94 111.96 3i9e s ASN 26 Ca 0.07 -0.15 0.10 0.00 0.42 0.00 0.00 52.86 53.29 3i9e s ASN 26 Cb -0.03 0.14 0.32 0.00 -1.45 0.00 0.00 41.25 40.23 3i9e s ASN 26 CO -0.09 -0.19 0.72 0.29 -3.72 0.00 0.00 177.10 174.10 3i9e n LYS 27 N 2.22 1.36 -3.76 0.43 5.02 -1.24 -3.63 118.16 118.57 3i9e n LYS 27 Ca -0.18 -3.66 -0.10 0.00 -2.02 0.00 0.00 58.31 52.35 3i9e n LYS 27 Cb 0.57 -1.71 -0.04 0.00 -0.02 0.00 0.00 35.03 33.83 3i9e n LYS 27 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3i9e s ARG 28 N -2.31 1.37 0.00 1.97 1.81 -1.26 -4.91 118.95 115.61 3i9e s ARG 28 Ca 0.40 -0.89 0.12 0.00 -1.72 0.00 0.00 55.73 53.64 3i9e s ARG 28 Cb 0.29 0.51 0.01 0.00 -0.45 0.00 0.00 34.95 35.31 3i9e s ARG 28 CO -0.09 -0.58 0.73 0.27 -0.68 0.00 0.00 175.30 174.95 3i9e n ASN 29 N -0.33 1.44 -3.15 0.23 0.23 -1.26 -4.74 115.26 107.68 3i9e n ASN 29 Ca -0.10 -1.22 0.06 0.00 -0.53 0.00 0.00 54.58 52.79 3i9e n ASN 29 Cb 0.62 0.39 -0.01 0.00 -2.08 0.00 0.00 39.78 38.70 3i9e n ASN 29 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3i9e s THR 30 N -1.42 -0.17 0.41 5.53 -1.32 -1.26 -4.42 115.64 112.99 3i9e s THR 30 Ca 0.10 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.35 3i9e s THR 30 Cb 0.10 -0.83 -0.12 0.00 -1.51 0.00 0.00 72.50 70.14 3i9e s THR 30 CO 0.27 0.00 0.79 -2.65 -2.21 0.00 0.00 174.62 170.82 3i9e n PRO 31 N 5.40 0.94 0.00 7.08 -0.02 -1.26 -5.10 135.00 142.04 3i9e n PRO 31 Ca -0.05 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 3i9e n PRO 31 Cb 0.55 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 3i9e n PRO 31 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3i9e n ASN 32 N 0.88 0.00 -3.89 2.55 0.23 -1.26 -4.41 115.26 109.36 3i9e n ASN 32 Ca 0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.16 3i9e n ASN 32 Cb 0.39 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.09 3i9e n ASN 32 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 3i9e n LYS 33 N 0.00 1.91 -0.49 -3.83 3.00 -1.26 -4.62 118.16 112.87 3i9e n LYS 33 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.29 3i9e n LYS 33 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.01 3i9e n LYS 33 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 3i9e n LEU 34 N 0.00 4.51 -1.73 3.14 -0.00 -1.26 -4.91 117.00 116.75 3i9e n LEU 34 Ca 0.00 -2.16 -0.24 0.00 -0.00 0.00 0.00 56.01 53.61 3i9e n LEU 34 Cb 0.00 -1.00 -0.05 0.00 -0.00 0.00 0.00 43.42 42.37 3i9e n LEU 34 CO 0.00 0.94 0.71 -1.84 -0.00 0.00 0.00 177.39 177.20 3i9e n GLU 35 N 1.75 0.00 -3.81 1.47 0.28 -1.26 -4.67 120.64 114.40 3i9e n GLU 35 Ca 0.06 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.96 3i9e n GLU 35 Cb 0.48 -0.61 -0.07 0.00 1.43 0.00 0.00 31.44 32.67 3i9e n GLU 35 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 3i9e s LEU 36 N 2.47 1.17 0.25 -1.84 2.34 -1.26 -3.82 118.68 117.99 3i9e s LEU 36 Ca 0.49 -0.46 0.02 0.00 0.06 0.00 0.00 54.13 54.25 3i9e s LEU 36 Cb -0.61 1.18 -0.05 0.00 -0.56 0.00 0.00 46.19 46.15 3i9e s LEU 36 CO 0.27 -0.68 0.05 -0.60 -1.06 0.00 0.00 176.35 174.32 3i9e s ARG 37 N -3.31 1.39 -0.38 1.48 6.06 -1.25 -5.10 118.95 117.84 3i9e s ARG 37 Ca 0.01 -1.73 -0.13 0.00 -2.50 0.00 0.00 55.73 51.37 3i9e s ARG 37 Cb 0.02 -0.45 0.02 0.00 0.06 0.00 0.00 34.95 34.60 3i9e s ARG 37 CO -0.08 -0.20 0.25 0.21 -2.50 0.00 0.00 175.30 172.98 3i9e s LYS 38 N -3.95 3.01 0.00 5.12 2.20 -1.25 -4.35 119.74 120.52 3i9e s LYS 38 Ca 0.33 -0.97 0.00 0.00 -0.36 0.00 0.00 55.97 54.97 3i9e s LYS 38 Cb 0.07 -3.84 0.00 0.00 -1.51 0.00 0.00 37.83 32.55 3i9e s LYS 38 CO 0.11 -0.67 0.00 0.66 -0.36 0.00 0.00 175.35 175.09 3i9e n TYR 39 N 5.09 0.00 -4.43 4.03 4.02 -1.19 -4.98 117.16 119.70 3i9e n TYR 39 Ca -0.12 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.49 3i9e n TYR 39 Cb 0.47 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.62 3i9e n TYR 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i9e s PRO 41 N 1.01 -0.28 -0.26 0.00 0.04 -1.26 -4.77 135.00 129.47 3i9e s PRO 41 Ca -0.07 0.77 0.13 0.00 0.04 0.00 0.00 61.00 61.87 3i9e s PRO 41 Cb -0.15 -1.63 0.74 0.00 0.04 0.00 0.00 34.50 33.50 3i9e s PRO 41 CO -0.02 -3.28 1.71 0.91 0.04 0.00 0.00 177.00 176.37 3i9e n TRP 42 N -4.59 2.02 -1.89 0.56 8.01 -1.26 -3.94 117.44 116.34 3i9e n TRP 42 Ca 0.04 -0.96 -0.04 0.00 -1.31 0.00 0.00 57.50 55.24 3i9e n TRP 42 Cb 0.55 -0.55 -0.04 0.00 -2.01 0.00 0.00 31.31 29.26 3i9e n TRP 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3i9e n ARG 44 N 0.00 0.00 0.00 0.00 5.12 -1.26 -5.17 116.66 115.35 3i9e n ARG 44 Ca -0.16 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.76 3i9e n ARG 44 Cb 0.56 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.86 3i9e n ARG 44 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3i9e n LYS 45 N -1.09 0.00 -1.82 5.56 4.76 -1.25 -4.97 118.16 119.36 3i9e n LYS 45 Ca 0.00 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.43 3i9e n LYS 45 Cb 0.00 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.18 3i9e n LYS 45 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3i9e n HIS 46 N 1.04 -2.55 0.00 2.13 8.25 -1.25 -4.84 115.22 118.00 3i9e n HIS 46 Ca 0.00 1.51 0.00 0.00 -0.26 0.00 0.00 57.72 58.97 3i9e n HIS 46 Cb 0.00 -2.95 0.00 0.00 1.12 0.00 0.00 29.99 28.16 3i9e n HIS 46 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3i9e n THR 47 N 0.97 0.00 0.12 1.59 -1.04 -0.79 -4.88 114.28 110.24 3i9e n THR 47 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 3i9e n THR 47 Cb 0.09 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.60 3i9e n THR 47 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 3i9e n VAL 48 N 0.00 0.00 -1.37 12.58 3.14 -1.26 -4.85 118.33 126.58 3i9e n VAL 48 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3i9e n VAL 48 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3i9e n VAL 48 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 3i9e n HIS 49 N -2.94 -2.93 -3.88 1.45 8.25 -1.23 -3.15 115.22 110.78 3i9e n HIS 49 Ca 0.00 1.72 -0.01 0.00 -0.26 0.00 0.00 57.72 59.17 3i9e n HIS 49 Cb 0.00 -2.97 -0.00 0.00 1.12 0.00 0.00 29.99 28.14 3i9e n HIS 49 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3i9e n ARG 50 N 0.94 1.80 -3.82 -0.41 1.74 0.20 -3.95 116.66 113.17 3i9e n ARG 50 Ca 0.00 -0.16 -0.31 0.00 -0.77 0.00 0.00 57.85 56.61 3i9e n ARG 50 Cb 0.00 0.04 -0.04 0.00 -1.02 0.00 0.00 32.46 31.43 3i9e n ARG 50 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3i9e s GLU 51 N -2.09 3.52 -0.29 5.56 2.12 -1.25 -2.49 118.70 123.79 3i9e s GLU 51 Ca 0.00 -0.28 -0.26 0.00 0.36 0.00 0.00 54.97 54.79 3i9e s GLU 51 Cb -0.00 -2.97 0.19 0.00 0.26 0.00 0.00 34.13 31.61 3i9e s GLU 51 CO 0.00 0.56 1.38 0.54 -0.54 0.00 0.00 175.26 177.20 3i9e s VAL 52 N -1.55 0.00 0.00 3.70 0.11 -1.12 -4.95 120.40 116.59 3i9e s VAL 52 Ca 0.37 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.42 3i9e s VAL 52 Cb -0.13 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.72 3i9e s VAL 52 CO 0.26 0.00 0.00 0.29 -3.33 0.00 0.00 175.10 172.32