#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1n n ILE 4 N 0.00 0.00 -3.21 -0.61 -5.35 -1.26 -4.83 119.36 104.10 3i1n n ILE 4 Ca 0.00 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.05 3i1n n ILE 4 Cb 0.00 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 37.83 3i1n n ILE 4 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3i1n s ARG 5 N 0.00 3.14 0.39 6.28 3.52 -1.26 -4.65 118.95 126.37 3i1n s ARG 5 Ca 0.00 -0.74 -0.24 0.00 -0.13 0.00 0.00 55.73 54.62 3i1n s ARG 5 Cb 0.00 -4.02 -0.09 0.00 -1.56 0.00 0.00 34.95 29.28 3i1n s ARG 5 CO 0.00 -1.04 1.04 -1.21 -0.81 0.00 0.00 175.30 173.29 3i1n s GLU 6 N 2.47 4.22 -0.79 5.12 2.02 -0.65 -4.71 118.70 126.37 3i1n s GLU 6 Ca 0.15 1.51 -0.26 0.00 0.02 0.00 0.00 54.97 56.40 3i1n s GLU 6 Cb -0.17 -2.59 0.01 0.00 0.10 0.00 0.00 34.13 31.48 3i1n s GLU 6 CO 0.14 -0.09 1.57 0.15 0.02 0.00 0.00 175.26 177.04 3i1n s LYS 7 N -2.42 3.04 1.27 1.61 1.02 -1.26 -0.79 119.74 122.20 3i1n s LYS 7 Ca 0.57 -0.22 -0.16 0.00 0.02 0.00 0.00 55.97 56.17 3i1n s LYS 7 Cb -0.22 -4.62 0.31 0.00 -0.52 0.00 0.00 37.83 32.78 3i1n s LYS 7 CO 0.28 -2.50 0.90 -0.89 -0.92 0.00 0.00 175.35 172.22 3i1n n ILE 8 N 6.93 0.00 -3.73 2.17 2.08 0.24 -4.90 119.36 122.15 3i1n n ILE 8 Ca 0.20 -0.37 -0.13 0.00 0.56 0.00 0.00 62.75 63.01 3i1n n ILE 8 Cb 0.50 -0.97 -0.14 0.00 -0.75 0.00 0.00 39.64 38.29 3i1n n ILE 8 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 3i1n s LYS 9 N -4.47 0.15 -0.24 0.38 0.00 -1.26 -3.34 119.74 110.96 3i1n s LYS 9 Ca 0.67 0.48 -0.12 0.00 0.00 0.00 0.00 55.97 57.01 3i1n s LYS 9 Cb -0.22 -0.15 -0.05 0.00 0.00 0.00 0.00 37.83 37.42 3i1n s LYS 9 CO 0.63 -0.18 0.22 -0.51 0.00 0.00 0.00 175.35 175.52 3i1n s LEU 10 N 1.32 4.10 -0.10 2.77 1.43 -0.10 -4.19 118.68 123.92 3i1n s LEU 10 Ca -0.08 0.17 -0.02 0.00 -1.03 0.00 0.00 54.13 53.17 3i1n s LEU 10 Cb -0.11 -2.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.88 3i1n s LEU 10 CO -0.07 0.01 -0.01 -0.69 0.23 0.00 0.00 176.35 175.82 3i1n s VAL 11 N 1.27 4.22 0.27 -1.59 1.01 -0.08 -2.28 120.40 123.23 3i1n s VAL 11 Ca 0.10 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 3i1n s VAL 11 Cb -0.14 -2.79 -0.11 0.00 0.00 0.00 0.00 36.38 33.33 3i1n s VAL 11 CO 0.06 0.58 1.60 -0.55 0.00 0.00 0.00 175.10 176.79 3i1n s SER 12 N -0.60 6.40 0.36 3.32 0.15 -0.83 -1.69 113.70 120.79 3i1n s SER 12 Ca 0.10 2.91 0.18 0.00 0.70 0.00 0.00 55.95 59.84 3i1n s SER 12 Cb -0.12 -2.63 0.53 0.00 -1.71 0.00 0.00 66.02 62.10 3i1n s SER 12 CO 0.02 -0.90 1.66 0.77 1.20 0.00 0.00 173.24 175.99 3i1n h SER 13 N 5.18 0.00 -3.19 5.45 4.64 -1.74 -3.45 113.55 120.45 3i1n h SER 13 Ca -0.46 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.42 3i1n h SER 13 Cb 1.22 0.00 0.22 0.00 -0.31 0.00 0.00 62.40 63.52 3i1n h SER 13 CO 0.82 0.39 -0.01 0.00 -0.87 0.00 0.00 176.83 177.16 3i1n s ALA 14 N -3.41 -0.66 0.37 5.18 0.00 -1.26 -4.91 121.76 117.06 3i1n s ALA 14 Ca 0.01 -0.15 0.07 0.00 0.00 0.00 0.00 51.96 51.89 3i1n s ALA 14 Cb 0.10 -3.24 0.72 0.00 0.00 0.00 0.00 23.12 20.69 3i1n s ALA 14 CO 0.70 -3.97 1.92 0.78 0.00 0.00 0.00 175.76 175.18 3i1n h GLY 15 N -2.72 0.44 -3.44 0.00 0.00 -2.02 -3.45 103.07 91.89 3i1n h GLY 15 Ca -0.63 -0.25 -0.58 0.00 0.00 0.00 0.00 47.33 45.88 3i1n h GLY 15 CO 0.50 0.23 -1.14 -1.30 0.00 0.00 0.00 176.54 174.84 3i1n n THR 16 N -4.31 0.46 0.80 4.70 -2.24 -1.26 -4.84 114.28 107.59 3i1n n THR 16 Ca 0.01 -0.48 0.10 0.00 -2.27 0.00 0.00 64.05 61.40 3i1n n THR 16 Cb 0.23 -0.18 0.28 0.00 -2.10 0.00 0.00 70.33 68.56 3i1n n THR 16 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1n n GLY 17 N 2.53 0.88 3.74 3.38 0.00 -1.26 -4.72 105.19 109.74 3i1n n GLY 17 Ca 0.06 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 3i1n n GLY 17 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i1n s HIS 18 N -1.59 2.31 -0.29 1.61 5.65 -1.26 -4.84 115.29 116.89 3i1n s HIS 18 Ca 0.33 1.60 -0.16 0.00 0.25 0.00 0.00 55.06 57.07 3i1n s HIS 18 Cb 0.18 -3.27 0.12 0.00 -1.18 0.00 0.00 32.58 28.43 3i1n s HIS 18 CO 0.25 -2.14 0.89 -0.59 -0.65 0.00 0.00 174.74 172.51 3i1n s PHE 19 N -2.33 -0.72 0.71 3.88 -0.71 -1.26 -1.97 117.98 115.58 3i1n s PHE 19 Ca 0.69 1.45 -0.11 0.00 -1.04 0.00 0.00 56.93 57.91 3i1n s PHE 19 Cb -0.23 0.43 0.02 0.00 -1.21 0.00 0.00 43.02 42.03 3i1n s PHE 19 CO 0.46 -0.36 1.07 0.71 -1.34 0.00 0.00 175.22 175.77 3i1n s TYR 20 N 1.40 3.13 -0.04 3.49 2.02 -0.97 -4.91 117.35 121.47 3i1n s TYR 20 Ca -0.09 1.29 0.00 0.00 -0.37 0.00 0.00 57.07 57.90 3i1n s TYR 20 Cb -0.04 -2.94 0.03 0.00 -0.40 0.00 0.00 41.96 38.60 3i1n s TYR 20 CO -0.16 -1.29 -0.01 -0.08 -1.57 0.00 0.00 175.55 172.44 3i1n s THR 21 N -3.13 0.30 0.00 -0.71 -1.32 -1.26 -0.92 115.64 108.60 3i1n s THR 21 Ca 0.58 0.05 0.00 0.00 -1.21 0.00 0.00 61.69 61.11 3i1n s THR 21 Cb -0.13 -0.39 0.00 0.00 -1.51 0.00 0.00 72.50 70.47 3i1n s THR 21 CO 0.54 0.19 0.00 1.07 -2.21 0.00 0.00 174.62 174.21 3i1n n THR 22 N 4.32 0.00 -4.37 5.08 5.66 -1.21 -4.97 114.28 118.78 3i1n n THR 22 Ca -0.22 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.60 3i1n n THR 22 Cb 0.50 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.18 3i1n n THR 22 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3i1n s THR 23 N -2.34 0.81 0.21 1.09 -4.23 -1.26 0.82 115.64 110.74 3i1n s THR 23 Ca 0.00 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.32 3i1n s THR 23 Cb 0.00 -2.70 0.04 0.00 1.34 0.00 0.00 72.50 71.18 3i1n s THR 23 CO 0.00 -0.00 0.58 -1.59 -0.54 0.00 0.00 174.62 173.07 3i1n s LYS 24 N -3.98 1.44 -0.97 3.99 -2.85 0.03 -4.73 119.74 112.68 3i1n s LYS 24 Ca 0.37 -0.81 -0.19 0.00 -1.00 0.00 0.00 55.97 54.35 3i1n s LYS 24 Cb 0.08 0.55 0.12 0.00 -2.06 0.00 0.00 37.83 36.53 3i1n s LYS 24 CO 0.14 -0.63 1.20 1.21 0.10 0.00 0.00 175.35 177.37 3i1n s ASN 25 N -2.86 6.65 0.24 0.03 3.84 -1.26 -1.64 114.94 119.94 3i1n s ASN 25 Ca 0.08 -2.05 0.06 0.00 0.21 0.00 0.00 52.86 51.16 3i1n s ASN 25 Cb -0.02 -2.42 0.72 0.00 -0.55 0.00 0.00 41.25 38.97 3i1n s ASN 25 CO -0.03 -1.09 1.15 1.17 -2.79 0.00 0.00 177.10 175.51 3i1n n LYS 26 N 6.78 -0.05 0.00 0.43 3.00 -1.26 -2.10 118.16 124.96 3i1n n LYS 26 Ca 0.26 1.07 0.00 0.00 -0.00 0.00 0.00 58.31 59.64 3i1n n LYS 26 Cb 0.49 -1.77 0.00 0.00 0.00 0.00 0.00 35.03 33.74 3i1n n LYS 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3i1n n ARG 27 N -4.88 0.00 0.00 1.64 1.74 -1.26 -2.88 116.66 111.02 3i1n n ARG 27 Ca 0.21 0.42 0.00 0.00 -0.77 0.00 0.00 57.85 57.71 3i1n n ARG 27 Cb 0.70 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 31.04 3i1n n ARG 27 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3i1n n THR 28 N -1.77 0.38 -2.68 0.55 -2.24 -1.05 -3.22 114.28 104.25 3i1n n THR 28 Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 3i1n n THR 28 Cb 0.00 -0.62 0.09 0.00 -2.10 0.00 0.00 70.33 67.70 3i1n n THR 28 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3i1n n LYS 29 N 0.53 0.40 0.04 -0.78 4.76 -0.89 -4.97 118.16 117.26 3i1n n LYS 29 Ca 0.00 -1.04 -0.04 0.00 -2.87 0.00 0.00 58.31 54.37 3i1n n LYS 29 Cb 0.24 -0.31 0.19 0.00 -1.84 0.00 0.00 35.03 33.31 3i1n n LYS 29 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 3i1n h PRO 30 N 2.17 0.40 -6.73 1.97 0.13 -1.50 -3.43 132.00 125.00 3i1n h PRO 30 Ca -0.31 -0.17 -0.53 0.00 -0.87 0.00 0.00 66.00 64.12 3i1n h PRO 30 Cb 1.20 -0.01 0.07 0.00 0.13 0.00 0.00 31.00 32.39 3i1n h PRO 30 CO -0.01 0.70 0.90 -1.83 -0.23 0.00 0.00 178.00 177.53 3i1n s GLU 31 N -4.30 4.15 -0.04 0.86 1.03 -1.26 -4.89 118.70 114.25 3i1n s GLU 31 Ca -0.06 2.52 -0.30 0.00 0.03 0.00 0.00 54.97 57.17 3i1n s GLU 31 Cb 0.13 -3.06 -0.07 0.00 -0.80 0.00 0.00 34.13 30.33 3i1n s GLU 31 CO 0.79 -0.63 1.87 0.15 -1.33 0.00 0.00 175.26 176.11 3i1n s LYS 32 N 0.15 4.01 0.08 -4.83 1.02 -1.26 -4.93 119.74 113.98 3i1n s LYS 32 Ca 0.67 2.33 -0.31 0.00 0.02 0.00 0.00 55.97 58.68 3i1n s LYS 32 Cb -0.47 -4.12 -0.06 0.00 -0.52 0.00 0.00 37.83 32.66 3i1n s LYS 32 CO 0.41 -1.08 1.22 -0.48 -0.92 0.00 0.00 175.35 174.50 3i1n s LEU 33 N 4.83 4.38 0.02 3.17 0.05 -1.26 -4.83 118.68 125.05 3i1n s LEU 33 Ca 0.84 2.07 0.05 0.00 0.05 0.00 0.00 54.13 57.14 3i1n s LEU 33 Cb -0.37 -3.58 -0.02 0.00 -2.05 0.00 0.00 46.19 40.17 3i1n s LEU 33 CO 0.36 -0.48 -0.14 -1.61 -0.55 0.00 0.00 176.35 173.93 3i1n s GLU 34 N 0.93 0.98 0.05 1.48 2.02 -1.26 -4.09 118.70 118.81 3i1n s GLU 34 Ca 0.59 -0.67 -0.27 0.00 0.02 0.00 0.00 54.97 54.65 3i1n s GLU 34 Cb -0.31 -0.97 0.09 0.00 0.10 0.00 0.00 34.13 33.04 3i1n s GLU 34 CO 0.30 0.25 0.75 -0.48 0.02 0.00 0.00 175.26 176.10 3i1n s LEU 35 N -0.87 -0.48 0.22 1.80 2.34 -0.26 -4.95 118.68 116.47 3i1n s LEU 35 Ca 0.03 0.10 -0.30 0.00 0.06 0.00 0.00 54.13 54.02 3i1n s LEU 35 Cb -0.07 2.32 -0.09 0.00 -0.56 0.00 0.00 46.19 47.79 3i1n s LEU 35 CO 0.01 -0.76 1.22 -0.54 -1.06 0.00 0.00 176.35 175.22 3i1n s LYS 36 N -3.08 4.48 0.14 1.48 1.02 -1.26 -1.16 119.74 121.37 3i1n s LYS 36 Ca 0.01 1.94 0.02 0.00 0.02 0.00 0.00 55.97 57.96 3i1n s LYS 36 Cb -0.01 -3.20 -0.01 0.00 -0.52 0.00 0.00 37.83 34.10 3i1n s LYS 36 CO -0.08 -0.08 0.15 1.63 -0.92 0.00 0.00 175.35 176.05 3i1n n LYS 37 N 2.07 0.22 -4.03 1.68 5.02 -0.94 -4.90 118.16 117.28 3i1n n LYS 37 Ca 0.03 -1.31 -0.35 0.00 -2.02 0.00 0.00 58.31 54.66 3i1n n LYS 37 Cb 0.44 1.14 -0.11 0.00 -0.02 0.00 0.00 35.03 36.48 3i1n n LYS 37 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3i1n s PHE 38 N -3.19 3.13 -0.41 2.13 5.36 -1.26 -1.11 117.98 122.64 3i1n s PHE 38 Ca 0.15 -0.19 -0.16 0.00 -0.96 0.00 0.00 56.93 55.77 3i1n s PHE 38 Cb 0.00 -2.10 0.02 0.00 -0.34 0.00 0.00 43.02 40.60 3i1n s PHE 38 CO 0.11 -0.07 0.37 0.34 -1.46 0.00 0.00 175.22 174.51 3i1n s ASP 39 N 0.78 6.16 0.42 6.13 -1.08 0.69 -4.95 116.67 124.82 3i1n s ASP 39 Ca 0.02 -0.70 0.20 0.00 -0.52 0.00 0.00 52.55 51.56 3i1n s ASP 39 Cb -0.14 -2.19 0.95 0.00 -1.46 0.00 0.00 42.92 40.08 3i1n s ASP 39 CO 0.02 -0.49 1.87 1.55 0.52 0.00 0.00 175.17 178.64 3i1n h PRO 40 N 8.66 0.00 0.00 4.34 0.13 -1.95 0.28 132.00 143.45 3i1n h PRO 40 Ca -0.27 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.79 3i1n h PRO 40 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 3i1n h PRO 40 CO 0.75 0.28 -0.33 -0.39 -0.23 0.00 0.00 178.00 178.09 3i1n h VAL 41 N 0.00 0.57 -0.36 1.56 -1.51 -1.95 -3.02 116.25 111.55 3i1n h VAL 41 Ca -0.00 -1.76 0.00 0.00 -1.23 0.00 0.00 66.70 63.70 3i1n h VAL 41 Cb 0.64 2.25 0.00 0.00 -2.13 0.00 0.00 31.29 32.04 3i1n h VAL 41 CO 0.04 0.32 0.00 0.52 -1.23 0.00 0.00 177.57 177.22 3i1n n VAL 42 N -3.20 0.80 -3.34 7.19 0.31 -1.08 -4.99 118.33 114.03 3i1n n VAL 42 Ca 0.02 -0.90 -0.21 0.00 -0.01 0.00 0.00 64.34 63.24 3i1n n VAL 42 Cb 0.65 0.66 -0.05 0.00 -0.91 0.00 0.00 33.84 34.19 3i1n n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i1n n ARG 43 N 0.79 -0.90 -3.92 5.55 3.00 0.05 -4.89 116.66 116.35 3i1n n ARG 43 Ca 0.13 0.07 -0.09 0.00 -0.01 0.00 0.00 57.85 57.95 3i1n n ARG 43 Cb 0.45 -2.35 -0.06 0.00 0.00 0.00 0.00 32.46 30.50 3i1n n ARG 43 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 3i1n s GLN 44 N -4.90 1.17 0.15 5.56 -1.52 -0.96 -5.00 119.66 114.16 3i1n s GLN 44 Ca 0.26 -1.11 -0.23 0.00 -1.95 0.00 0.00 55.36 52.33 3i1n s GLN 44 Cb -0.15 0.40 -0.08 0.00 -0.22 0.00 0.00 33.01 32.96 3i1n s GLN 44 CO 0.57 -0.44 0.72 -1.01 -0.25 0.00 0.00 175.29 174.87 3i1n s HIS 45 N -3.94 3.84 0.04 0.91 3.76 -1.26 -0.22 115.29 118.41 3i1n s HIS 45 Ca 0.15 1.50 -0.16 0.00 -0.15 0.00 0.00 55.06 56.41 3i1n s HIS 45 Cb 0.03 -2.67 0.03 0.00 1.11 0.00 0.00 32.58 31.07 3i1n s HIS 45 CO -0.01 0.50 0.35 0.08 -0.85 0.00 0.00 174.74 174.81 3i1n s VAL 46 N -1.20 0.07 0.18 -0.90 1.01 -0.27 -4.89 120.40 114.40 3i1n s VAL 46 Ca 0.35 -0.58 -0.32 0.00 0.00 0.00 0.00 61.98 61.44 3i1n s VAL 46 Cb -0.21 -0.93 -0.12 0.00 0.00 0.00 0.00 36.38 35.12 3i1n s VAL 46 CO 0.24 -0.32 1.77 -0.38 0.00 0.00 0.00 175.10 176.41 3i1n n ILE 47 N 0.56 0.14 -4.51 2.22 -0.00 -1.26 -2.22 119.36 114.29 3i1n n ILE 47 Ca -0.19 -0.03 -0.33 0.00 -0.00 0.00 0.00 62.75 62.21 3i1n n ILE 47 Cb 0.59 -2.05 -0.11 0.00 -0.00 0.00 0.00 39.64 38.08 3i1n n ILE 47 CO 0.00 0.00 0.00 -0.31 -0.00 0.00 0.00 176.55 176.24 3i1n s TYR 48 N 1.78 2.90 0.09 1.39 2.02 -0.31 -2.04 117.35 123.18 3i1n s TYR 48 Ca 0.78 -0.03 0.01 0.00 -0.37 0.00 0.00 57.07 57.46 3i1n s TYR 48 Cb -0.49 -1.63 -0.00 0.00 -0.40 0.00 0.00 41.96 39.43 3i1n s TYR 48 CO 0.34 0.36 0.04 1.17 -1.57 0.00 0.00 175.55 175.89 3i1n n LYS 49 N 1.74 0.69 -0.57 -0.62 4.81 -0.68 -1.10 118.16 122.42 3i1n n LYS 49 Ca -0.16 -0.83 0.00 0.00 -0.87 0.00 0.00 58.31 56.45 3i1n n LYS 49 Cb 0.53 0.50 0.00 0.00 0.02 0.00 0.00 35.03 36.07 3i1n n LYS 49 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3i1n n GLU 50 N -0.21 -1.62 0.00 1.64 4.07 -1.26 -0.90 120.64 122.37 3i1n n GLU 50 Ca -0.01 1.19 0.00 0.00 -0.06 0.00 0.00 57.16 58.28 3i1n n GLU 50 Cb 0.15 -1.32 0.00 0.00 -0.06 0.00 0.00 31.44 30.21 3i1n n GLU 50 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3i1n n ALA 51 N -0.59 0.00 -0.54 4.31 0.00 -1.26 -4.35 120.51 118.08 3i1n n ALA 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1n n ALA 51 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i1n n ALA 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13