#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1t n ILE 4 N 0.00 0.00 -3.87 -0.61 5.41 -1.26 -4.89 119.36 114.14 3i1t n ILE 4 Ca 0.00 0.00 -0.36 0.00 1.00 0.00 0.00 62.75 63.39 3i1t n ILE 4 Cb 0.00 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 38.86 3i1t n ILE 4 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 3i1t s ARG 5 N 0.00 3.59 0.70 0.38 0.52 -1.26 -4.78 118.95 118.10 3i1t s ARG 5 Ca 0.00 -0.17 -0.11 0.00 -0.52 0.00 0.00 55.73 54.93 3i1t s ARG 5 Cb 0.00 -3.22 0.01 0.00 0.52 0.00 0.00 34.95 32.26 3i1t s ARG 5 CO 0.00 0.66 1.09 -1.21 0.02 0.00 0.00 175.30 175.86 3i1t s GLU 6 N -0.70 2.92 -0.12 3.54 2.02 -0.95 -4.91 118.70 120.49 3i1t s GLU 6 Ca 0.13 0.53 -0.13 0.00 0.02 0.00 0.00 54.97 55.52 3i1t s GLU 6 Cb -0.12 -2.02 -0.05 0.00 0.10 0.00 0.00 34.13 32.04 3i1t s GLU 6 CO 0.03 -1.01 0.28 0.15 0.02 0.00 0.00 175.26 174.73 3i1t s LYS 7 N -5.31 4.06 0.12 1.61 1.02 -1.26 -3.36 119.74 116.62 3i1t s LYS 7 Ca 0.58 0.11 0.07 0.00 0.02 0.00 0.00 55.97 56.75 3i1t s LYS 7 Cb -0.11 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.81 3i1t s LYS 7 CO 0.52 0.41 -0.06 0.42 -0.92 0.00 0.00 175.35 175.72 3i1t s ILE 8 N -0.07 3.53 -0.26 2.17 -1.09 -0.10 -4.97 121.20 120.40 3i1t s ILE 8 Ca 0.17 -1.30 -0.02 0.00 -2.23 0.00 0.00 60.65 57.28 3i1t s ILE 8 Cb -0.13 -2.69 0.08 0.00 -1.58 0.00 0.00 42.46 38.14 3i1t s ILE 8 CO 0.05 0.04 0.07 -1.59 -1.23 0.00 0.00 174.94 172.29 3i1t s LYS 9 N -2.44 0.67 -0.28 2.79 -2.85 -1.26 -0.82 119.74 115.55 3i1t s LYS 9 Ca 0.24 -0.78 -0.29 0.00 -1.00 0.00 0.00 55.97 54.14 3i1t s LYS 9 Cb -0.11 -1.96 -0.01 0.00 -2.06 0.00 0.00 37.83 33.70 3i1t s LYS 9 CO 0.16 -0.86 1.47 -0.51 0.10 0.00 0.00 175.35 175.71 3i1t s LEU 10 N 1.75 3.84 0.44 2.77 2.01 -1.19 -4.71 118.68 123.59 3i1t s LEU 10 Ca 0.05 1.35 -0.20 0.00 0.01 0.00 0.00 54.13 55.34 3i1t s LEU 10 Cb -0.17 -3.54 -0.10 0.00 0.01 0.00 0.00 46.19 42.39 3i1t s LEU 10 CO -0.20 -1.22 0.96 -0.69 1.01 0.00 0.00 176.35 176.21 3i1t s VAL 11 N 4.93 4.36 0.11 -1.59 1.01 -0.83 0.09 120.40 128.48 3i1t s VAL 11 Ca 0.64 1.43 -0.30 0.00 0.00 0.00 0.00 61.98 63.75 3i1t s VAL 11 Cb -0.20 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 32.52 3i1t s VAL 11 CO 0.27 -0.36 1.06 -0.55 0.00 0.00 0.00 175.10 175.52 3i1t s SER 12 N -2.27 7.32 0.00 3.32 0.15 -1.24 -2.65 113.70 118.34 3i1t s SER 12 Ca 0.62 1.93 0.23 0.00 0.70 0.00 0.00 55.95 59.43 3i1t s SER 12 Cb -0.10 -2.59 1.05 0.00 -1.71 0.00 0.00 66.02 62.68 3i1t s SER 12 CO 0.16 -0.22 1.75 -1.54 1.20 0.00 0.00 173.24 174.58 3i1t n SER 13 N 2.98 0.00 -4.95 5.45 3.41 -1.25 -4.72 113.62 114.53 3i1t n SER 13 Ca 0.04 0.31 -0.20 0.00 -0.26 0.00 0.00 58.87 58.75 3i1t n SER 13 Cb 0.48 -0.42 0.07 0.00 -0.26 0.00 0.00 64.21 64.07 3i1t n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i1t s ALA 14 N -2.85 4.47 -1.06 7.33 0.00 -1.26 -4.99 121.76 123.40 3i1t s ALA 14 Ca 0.15 -2.02 0.12 0.00 0.00 0.00 0.00 51.96 50.21 3i1t s ALA 14 Cb 0.15 -1.60 0.51 0.00 0.00 0.00 0.00 23.12 22.18 3i1t s ALA 14 CO 0.40 -0.96 1.36 0.41 0.00 0.00 0.00 175.76 176.97 3i1t n GLY 15 N -2.35 -0.87 3.71 0.00 0.00 -1.26 -4.81 105.19 99.61 3i1t n GLY 15 Ca 0.15 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 3i1t n GLY 15 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i1t n THR 16 N -1.47 0.13 0.27 2.61 -2.24 -1.26 -4.87 114.28 107.45 3i1t n THR 16 Ca 0.03 -0.03 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 3i1t n THR 16 Cb 0.13 -1.87 0.75 0.00 -2.10 0.00 0.00 70.33 67.24 3i1t n THR 16 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3i1t h GLY 17 N 6.30 0.00 -3.69 3.38 0.00 -1.96 -3.42 103.07 103.68 3i1t h GLY 17 Ca -0.44 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.32 3i1t h GLY 17 CO 0.92 0.00 0.43 1.57 0.00 0.00 0.00 176.54 179.46 3i1t n HIS 18 N -4.11 1.95 -3.81 5.60 -0.00 -1.26 -4.88 115.22 108.71 3i1t n HIS 18 Ca -0.03 0.51 0.00 0.00 -0.00 0.00 0.00 57.72 58.21 3i1t n HIS 18 Cb 0.13 -2.35 0.00 0.00 -0.00 0.00 0.00 29.99 27.77 3i1t n HIS 18 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 176.34 178.31 3i1t n PHE 19 N -0.27 0.00 -4.47 1.57 -1.74 -1.26 -3.62 117.46 107.66 3i1t n PHE 19 Ca 0.07 0.00 -0.24 0.00 -0.56 0.00 0.00 57.45 56.72 3i1t n PHE 19 Cb 0.39 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.32 3i1t n PHE 19 CO 0.00 0.00 0.00 0.98 -0.56 0.00 0.00 176.76 177.18 3i1t n TYR 20 N 0.00 0.04 -3.64 2.97 9.36 0.11 -4.93 117.16 121.08 3i1t n TYR 20 Ca 0.00 -2.61 -0.08 0.00 3.32 0.00 0.00 57.90 58.53 3i1t n TYR 20 Cb 0.00 0.02 -0.07 0.00 -0.63 0.00 0.00 39.34 38.66 3i1t n TYR 20 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 3i1t s THR 21 N -3.10 0.00 0.14 2.97 -1.32 -1.26 -3.20 115.64 109.88 3i1t s THR 21 Ca 0.22 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.59 3i1t s THR 21 Cb 0.01 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 70.04 3i1t s THR 21 CO 0.16 0.00 0.54 1.07 -2.21 0.00 0.00 174.62 174.18 3i1t n THR 22 N 4.11 0.00 -3.97 5.08 5.66 0.00 -4.98 114.28 120.18 3i1t n THR 22 Ca -0.19 -0.39 -0.31 0.00 -3.05 0.00 0.00 64.05 60.11 3i1t n THR 22 Cb 0.58 0.48 -0.05 0.00 -1.55 0.00 0.00 70.33 69.79 3i1t n THR 22 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3i1t s THR 23 N -2.35 5.07 0.00 1.09 -4.23 -1.26 -0.92 115.64 113.05 3i1t s THR 23 Ca 0.12 -0.53 0.00 0.00 -1.18 0.00 0.00 61.69 60.10 3i1t s THR 23 Cb -0.02 -3.47 0.00 0.00 1.34 0.00 0.00 72.50 70.35 3i1t s THR 23 CO 0.04 0.13 0.00 1.17 -0.54 0.00 0.00 174.62 175.43 3i1t n LYS 24 N 0.35 0.00 -3.61 3.99 4.81 -1.21 -4.89 118.16 117.61 3i1t n LYS 24 Ca -0.06 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.01 3i1t n LYS 24 Cb 0.51 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.49 3i1t n LYS 24 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 3i1t s ASN 25 N 0.00 6.45 0.04 3.14 3.84 -1.26 -2.24 114.94 124.91 3i1t s ASN 25 Ca 0.00 0.53 -0.22 0.00 0.21 0.00 0.00 52.86 53.38 3i1t s ASN 25 Cb 0.00 -2.16 -0.11 0.00 -0.55 0.00 0.00 41.25 38.42 3i1t s ASN 25 CO 0.00 0.19 1.33 0.50 -2.79 0.00 0.00 177.10 176.33 3i1t h LYS 26 N 6.14 -0.67 -0.69 0.43 1.63 -1.86 -2.56 116.57 118.99 3i1t h LYS 26 Ca -0.45 0.05 0.10 0.00 -0.85 0.00 0.00 60.65 59.50 3i1t h LYS 26 Cb 1.18 0.15 -0.07 0.00 -0.60 0.00 0.00 32.23 32.89 3i1t h LYS 26 CO 0.71 -0.44 0.31 0.00 -3.45 0.00 0.00 179.45 176.58 3i1t h ARG 27 N -0.69 0.51 -0.77 1.90 3.08 -1.96 -2.11 114.38 114.34 3i1t h ARG 27 Ca -0.06 -0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.06 3i1t h ARG 27 Cb 0.57 -0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.43 3i1t h ARG 27 CO 0.03 0.34 0.42 1.79 -1.07 0.00 0.00 179.97 181.48 3i1t h THR 28 N 0.52 0.87 -1.73 2.04 1.35 -1.97 -3.39 112.91 110.59 3i1t h THR 28 Ca 0.35 -0.24 -0.18 0.00 -0.55 0.00 0.00 66.41 65.79 3i1t h THR 28 Cb 0.41 0.12 -0.29 0.00 -1.73 0.00 0.00 68.15 66.66 3i1t h THR 28 CO -0.30 0.13 -0.52 -0.54 -0.25 0.00 0.00 175.52 174.04 3i1t s LYS 29 N -6.04 0.40 0.03 4.72 -0.14 -0.82 -5.06 119.74 112.83 3i1t s LYS 29 Ca -0.12 0.22 -0.21 0.00 -1.36 0.00 0.00 55.97 54.49 3i1t s LYS 29 Cb 0.19 -0.33 -0.16 0.00 -1.68 0.00 0.00 37.83 35.85 3i1t s LYS 29 CO 0.77 -0.96 1.30 -1.35 -0.76 0.00 0.00 175.35 174.36 3i1t h PRO 30 N 8.16 0.33 -6.86 -1.68 0.11 -1.71 -3.42 132.00 126.94 3i1t h PRO 30 Ca -0.11 -0.19 -0.53 0.00 0.11 0.00 0.00 66.00 65.28 3i1t h PRO 30 Cb 1.13 0.02 0.08 0.00 0.11 0.00 0.00 31.00 32.34 3i1t h PRO 30 CO 0.27 0.77 0.79 -1.83 -0.21 0.00 0.00 178.00 177.79 3i1t s GLU 31 N -4.13 4.17 1.14 1.05 1.03 -1.26 -4.97 118.70 115.73 3i1t s GLU 31 Ca -0.14 2.48 -0.14 0.00 0.03 0.00 0.00 54.97 57.20 3i1t s GLU 31 Cb 0.05 -3.02 0.24 0.00 -0.80 0.00 0.00 34.13 30.59 3i1t s GLU 31 CO 0.75 -0.50 0.82 1.63 -1.33 0.00 0.00 175.26 176.64 3i1t n LYS 32 N 1.38 -2.13 -4.02 -4.83 5.02 -1.26 -4.99 118.16 107.33 3i1t n LYS 32 Ca 0.04 -0.59 -0.34 0.00 -2.02 0.00 0.00 58.31 55.41 3i1t n LYS 32 Cb 0.39 -2.09 -0.15 0.00 -0.02 0.00 0.00 35.03 33.16 3i1t n LYS 32 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3i1t s LEU 33 N -5.94 2.97 0.02 -0.35 1.02 -1.26 -4.89 118.68 110.25 3i1t s LEU 33 Ca 0.66 -0.92 0.03 0.00 0.02 0.00 0.00 54.13 53.92 3i1t s LEU 33 Cb -0.23 -1.59 -0.03 0.00 0.02 0.00 0.00 46.19 44.35 3i1t s LEU 33 CO 0.65 -0.11 -0.05 -1.61 0.02 0.00 0.00 176.35 175.25 3i1t s GLU 34 N 1.27 2.56 0.00 1.70 8.01 -1.26 -3.59 118.70 127.39 3i1t s GLU 34 Ca -0.00 -0.73 0.00 0.00 0.01 0.00 0.00 54.97 54.24 3i1t s GLU 34 Cb -0.16 -2.52 0.00 0.00 -4.31 0.00 0.00 34.13 27.14 3i1t s GLU 34 CO -0.07 0.59 0.22 1.47 0.01 0.00 0.00 175.26 177.48 3i1t n LEU 35 N 1.39 -0.20 -2.41 1.80 -0.00 -1.06 -5.03 117.00 111.49 3i1t n LEU 35 Ca -0.15 -0.43 -0.01 0.00 -0.00 0.00 0.00 56.01 55.42 3i1t n LEU 35 Cb 0.52 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.93 3i1t n LEU 35 CO 0.32 0.72 -0.38 0.29 -0.00 0.00 0.00 177.39 178.33 3i1t n LYS 36 N 0.00 -3.61 -4.22 1.47 5.02 -1.25 -4.90 118.16 110.68 3i1t n LYS 36 Ca -0.06 2.67 -0.19 0.00 -2.02 0.00 0.00 58.31 58.72 3i1t n LYS 36 Cb 0.32 -3.54 -0.16 0.00 -0.02 0.00 0.00 35.03 31.63 3i1t n LYS 36 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3i1t s LYS 37 N -0.43 0.73 1.00 1.97 -0.14 -0.71 -4.81 119.74 117.36 3i1t s LYS 37 Ca -0.07 -0.17 -0.13 0.00 -1.36 0.00 0.00 55.97 54.24 3i1t s LYS 37 Cb 0.00 -0.72 0.12 0.00 -1.68 0.00 0.00 37.83 35.55 3i1t s LYS 37 CO 0.18 0.02 0.64 0.34 -0.76 0.00 0.00 175.35 175.77 3i1t n PHE 38 N 3.55 -0.77 -3.63 3.18 7.35 -1.26 -3.58 117.46 122.30 3i1t n PHE 38 Ca -0.20 0.21 -0.14 0.00 -0.76 0.00 0.00 57.45 56.55 3i1t n PHE 38 Cb 0.54 -1.79 -0.06 0.00 0.35 0.00 0.00 39.48 38.51 3i1t n PHE 38 CO 0.00 0.00 0.00 0.16 -0.76 0.00 0.00 176.76 176.16 3i1t s ASP 39 N -2.22 -0.39 0.18 -2.13 -4.77 -1.25 -4.87 116.67 101.22 3i1t s ASP 39 Ca 0.61 0.23 0.26 0.00 -3.30 0.00 0.00 52.55 50.35 3i1t s ASP 39 Cb -0.21 0.44 0.89 0.00 -1.09 0.00 0.00 42.92 42.96 3i1t s ASP 39 CO 0.64 -0.62 1.79 -2.65 0.70 0.00 0.00 175.17 175.03 3i1t n PRO 40 N 0.74 0.21 0.03 2.11 -0.02 -1.26 -1.85 135.00 134.96 3i1t n PRO 40 Ca -0.19 0.21 0.11 0.00 -2.02 0.00 0.00 63.50 61.60 3i1t n PRO 40 Cb 0.58 -1.76 -0.03 0.00 -0.02 0.00 0.00 33.50 32.27 3i1t n PRO 40 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3i1t n VAL 41 N -2.13 0.17 0.22 -1.45 0.31 -1.26 -4.08 118.33 110.11 3i1t n VAL 41 Ca 0.05 -0.30 0.04 0.00 -0.01 0.00 0.00 64.34 64.12 3i1t n VAL 41 Cb 0.39 0.18 -0.05 0.00 -0.91 0.00 0.00 33.84 33.44 3i1t n VAL 41 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3i1t n VAL 42 N -2.06 0.00 -0.99 2.52 0.31 -1.23 -4.99 118.33 111.91 3i1t n VAL 42 Ca 0.01 -0.26 -0.01 0.00 -0.01 0.00 0.00 64.34 64.07 3i1t n VAL 42 Cb 0.47 0.71 -0.00 0.00 -0.91 0.00 0.00 33.84 34.10 3i1t n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i1t n ARG 43 N -1.44 -1.97 -4.11 5.55 1.74 -0.77 -4.90 116.66 110.75 3i1t n ARG 43 Ca 0.00 0.51 -0.15 0.00 -0.77 0.00 0.00 57.85 57.44 3i1t n ARG 43 Cb 0.16 -4.92 -0.12 0.00 -1.02 0.00 0.00 32.46 26.56 3i1t n ARG 43 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3i1t s GLN 44 N -2.00 0.65 -0.56 5.56 -0.44 -1.26 -4.99 119.66 116.62 3i1t s GLN 44 Ca 0.00 -0.85 -0.26 0.00 -2.50 0.00 0.00 55.36 51.74 3i1t s GLN 44 Cb 0.00 -0.49 -0.04 0.00 -1.64 0.00 0.00 33.01 30.84 3i1t s GLN 44 CO 0.00 0.10 2.07 -1.01 0.50 0.00 0.00 175.29 176.95 3i1t s HIS 45 N -1.42 1.43 0.58 1.67 3.76 -1.26 -3.96 115.29 116.08 3i1t s HIS 45 Ca -0.06 1.09 -0.01 0.00 -0.15 0.00 0.00 55.06 55.93 3i1t s HIS 45 Cb -0.09 -3.89 0.04 0.00 1.11 0.00 0.00 32.58 29.74 3i1t s HIS 45 CO 0.01 -2.41 0.82 0.54 -0.85 0.00 0.00 174.74 172.85 3i1t s VAL 46 N 10.27 2.72 -0.78 -0.90 0.11 -1.23 -4.93 120.40 125.66 3i1t s VAL 46 Ca 0.79 -0.54 -0.16 0.00 -2.93 0.00 0.00 61.98 59.14 3i1t s VAL 46 Cb -0.15 -3.05 0.17 0.00 -1.53 0.00 0.00 36.38 31.82 3i1t s VAL 46 CO 0.23 -0.04 0.81 -0.63 -3.33 0.00 0.00 175.10 172.13 3i1t s ILE 47 N -2.86 5.23 0.06 7.04 1.09 -1.26 -1.74 121.20 128.77 3i1t s ILE 47 Ca 0.57 -1.91 -0.31 0.00 -1.10 0.00 0.00 60.65 57.91 3i1t s ILE 47 Cb -0.10 -4.53 -0.06 0.00 -1.06 0.00 0.00 42.46 36.71 3i1t s ILE 47 CO 0.40 -1.14 1.19 -0.31 -0.10 0.00 0.00 174.94 174.99 3i1t s TYR 48 N 1.33 3.44 0.05 3.97 2.02 -1.26 -3.86 117.35 123.03 3i1t s TYR 48 Ca 0.18 1.31 0.01 0.00 -0.37 0.00 0.00 57.07 58.20 3i1t s TYR 48 Cb -0.14 -3.41 -0.00 0.00 -0.40 0.00 0.00 41.96 38.01 3i1t s TYR 48 CO -0.05 -1.25 0.03 0.36 -1.57 0.00 0.00 175.55 173.07 3i1t n LYS 49 N 3.87 0.43 -1.22 -0.62 2.85 -1.08 -2.56 118.16 119.83 3i1t n LYS 49 Ca 0.09 -0.43 0.00 0.00 -1.05 0.00 0.00 58.31 56.92 3i1t n LYS 49 Cb 0.46 0.29 0.00 0.00 -0.65 0.00 0.00 35.03 35.14 3i1t n LYS 49 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 3i1t n GLU 50 N -0.10 -3.15 -2.80 -1.58 0.00 -1.24 -1.97 120.64 109.81 3i1t n GLU 50 Ca 0.00 2.34 -0.10 0.00 0.00 0.00 0.00 57.16 59.40 3i1t n GLU 50 Cb 0.08 -2.45 0.07 0.00 0.00 0.00 0.00 31.44 29.13 3i1t n GLU 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i1t n ALA 51 N 0.51 -0.29 -0.48 4.31 0.00 -1.26 -4.07 120.51 119.23 3i1t n ALA 51 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 53.44 51.69 3i1t n ALA 51 Cb 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3i1t n ALA 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13