#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v80 s GLN 2 N 0.00 1.97 0.41 3.17 -0.21 -1.26 -4.00 119.66 119.74 1v80 s GLN 2 Ca 0.00 -1.50 0.06 0.00 0.02 0.00 0.00 55.36 53.94 1v80 s GLN 2 Cb 0.00 -2.97 0.01 0.00 1.00 0.00 0.00 33.01 31.05 1v80 s GLN 2 CO 0.00 -0.69 0.57 0.96 -2.12 0.00 0.00 175.29 174.02 1v80 s ILE 3 N 1.05 3.33 0.00 1.08 -5.25 -1.17 -0.03 121.20 120.21 1v80 s ILE 3 Ca -0.03 -0.92 0.00 0.00 -0.99 0.00 0.00 60.65 58.71 1v80 s ILE 3 Cb -0.20 -3.15 0.00 0.00 2.95 0.00 0.00 42.46 42.07 1v80 s ILE 3 CO -0.06 -0.07 0.00 0.49 -1.79 0.00 0.00 174.94 173.51 1v80 n PHE 4 N -1.87 0.00 -3.58 1.37 3.72 -0.47 0.18 117.46 116.81 1v80 n PHE 4 Ca 0.05 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.30 1v80 n PHE 4 Cb 0.59 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.06 1v80 n PHE 4 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1v80 s VAL 5 N -1.46 0.00 -0.28 -4.37 0.11 -0.70 0.02 120.40 113.72 1v80 s VAL 5 Ca 0.00 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.02 1v80 s VAL 5 Cb 0.00 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.88 1v80 s VAL 5 CO 0.00 0.00 0.01 -0.54 -3.33 0.00 0.00 175.10 171.24 1v80 s LYS 6 N -0.32 2.75 0.96 1.54 1.02 0.16 -2.02 119.74 123.83 1v80 s LYS 6 Ca -0.04 -1.05 -0.15 0.00 0.02 0.00 0.00 55.97 54.74 1v80 s LYS 6 Cb -0.03 -3.19 0.21 0.00 -0.52 0.00 0.00 37.83 34.30 1v80 s LYS 6 CO 0.04 -0.50 1.32 0.95 -0.92 0.00 0.00 175.35 176.24 1v80 s THR 7 N 1.35 2.00 0.43 2.17 -4.23 -1.09 0.19 115.64 116.46 1v80 s THR 7 Ca -0.01 -0.04 0.10 0.00 -1.18 0.00 0.00 61.69 60.56 1v80 s THR 7 Cb -0.18 -2.96 0.29 0.00 1.34 0.00 0.00 72.50 70.99 1v80 s THR 7 CO -0.01 0.00 2.03 -0.07 -0.54 0.00 0.00 174.62 176.03 1v80 h LEU 8 N -1.63 0.40 0.00 4.79 3.38 -1.87 0.31 115.31 120.70 1v80 h LEU 8 Ca -0.44 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1v80 h LEU 8 Cb 1.23 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1v80 h LEU 8 CO 0.35 0.27 -0.02 0.00 0.09 0.00 0.00 178.44 179.14 1v80 h THR 9 N 0.46 0.00 0.00 0.22 1.03 -1.92 -3.47 112.91 109.24 1v80 h THR 9 Ca 0.19 -0.55 0.00 0.00 -0.01 0.00 0.00 66.41 66.04 1v80 h THR 9 Cb 0.17 1.54 0.00 0.00 -1.07 0.00 0.00 68.15 68.79 1v80 h THR 9 CO -0.05 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.07 1v80 n GLY 10 N 1.28 3.12 2.69 2.99 0.00 0.11 -5.02 105.19 110.36 1v80 n GLY 10 Ca 0.05 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.62 1v80 n GLY 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1v80 n LYS 11 N -0.53 0.00 -3.46 1.61 4.76 -1.26 -4.11 118.16 115.16 1v80 n LYS 11 Ca 0.00 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.06 1v80 n LYS 11 Cb 0.00 -1.14 -0.09 0.00 -1.84 0.00 0.00 35.03 31.96 1v80 n LYS 11 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1v80 s THR 12 N 0.27 5.23 -0.17 -0.18 2.01 -1.26 -2.67 115.64 118.88 1v80 s THR 12 Ca 0.71 0.51 -0.02 0.00 0.31 0.00 0.00 61.69 63.19 1v80 s THR 12 Cb -0.99 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 67.85 1v80 s THR 12 CO 0.46 0.24 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.92 1v80 s ILE 13 N 1.52 3.33 0.32 1.82 1.09 -0.86 -4.92 121.20 123.51 1v80 s ILE 13 Ca 0.14 -0.54 -0.23 0.00 -1.10 0.00 0.00 60.65 58.92 1v80 s ILE 13 Cb -0.15 -2.46 -0.10 0.00 -1.06 0.00 0.00 42.46 38.70 1v80 s ILE 13 CO 0.08 0.48 0.89 -0.89 -0.10 0.00 0.00 174.94 175.40 1v80 s THR 14 N 0.78 4.34 0.33 2.92 2.01 -1.26 -1.71 115.64 123.05 1v80 s THR 14 Ca -0.03 1.61 0.04 0.00 0.31 0.00 0.00 61.69 63.62 1v80 s THR 14 Cb -0.15 -3.89 -0.06 0.00 0.01 0.00 0.00 72.50 68.41 1v80 s THR 14 CO 0.01 0.06 0.04 -0.76 -0.69 0.00 0.00 174.62 173.29 1v80 s LEU 15 N -2.28 2.28 -0.36 4.42 2.01 0.49 -4.94 118.68 120.30 1v80 s LEU 15 Ca 0.51 -1.36 0.14 0.00 0.01 0.00 0.00 54.13 53.43 1v80 s LEU 15 Cb -0.16 -0.46 0.39 0.00 0.01 0.00 0.00 46.19 45.98 1v80 s LEU 15 CO 0.21 -0.57 0.83 1.21 1.01 0.00 0.00 176.35 179.04 1v80 n GLU 16 N -0.70 1.18 -0.84 1.70 2.13 -1.26 -3.04 120.64 119.80 1v80 n GLU 16 Ca -0.03 -3.41 -0.03 0.00 0.66 0.00 0.00 57.16 54.35 1v80 n GLU 16 Cb 0.66 -1.56 0.02 0.00 0.27 0.00 0.00 31.44 30.83 1v80 n GLU 16 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1v80 n VAL 17 N 0.11 0.00 -4.37 6.31 0.24 -1.26 -5.01 118.33 114.35 1v80 n VAL 17 Ca 0.19 -0.20 -0.19 0.00 -2.04 0.00 0.00 64.34 62.10 1v80 n VAL 17 Cb 0.71 -1.35 -0.10 0.00 -1.47 0.00 0.00 33.84 31.63 1v80 n VAL 17 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1v80 s GLU 18 N -2.77 1.42 0.38 7.34 8.01 -1.26 -4.38 118.70 127.43 1v80 s GLU 18 Ca 0.09 -1.72 0.27 0.00 0.01 0.00 0.00 54.97 53.62 1v80 s GLU 18 Cb -0.00 -0.84 0.88 0.00 -4.31 0.00 0.00 34.13 29.85 1v80 s GLU 18 CO 0.06 -0.04 1.78 -1.00 0.01 0.00 0.00 175.26 176.07 1v80 h PRO 19 N 2.40 0.00 -0.00 0.39 0.13 -1.96 -2.63 132.00 130.32 1v80 h PRO 19 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1v80 h PRO 19 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1v80 h PRO 19 CO 0.66 0.00 -0.67 0.43 -0.23 0.00 0.00 178.00 178.19 1v80 n SER 20 N -2.71 1.00 -2.92 1.44 7.64 -1.26 -1.28 113.62 115.54 1v80 n SER 20 Ca 0.03 -0.83 -0.13 0.00 1.01 0.00 0.00 58.87 58.95 1v80 n SER 20 Cb 0.38 0.57 0.10 0.00 -1.01 0.00 0.00 64.21 64.26 1v80 n SER 20 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1v80 n ASP 21 N -1.17 -0.85 -4.69 6.43 9.92 -0.99 -4.93 116.55 120.27 1v80 n ASP 21 Ca 0.06 -0.97 -0.28 0.00 -0.53 0.00 0.00 54.79 53.08 1v80 n ASP 21 Cb 0.36 -0.45 -0.09 0.00 -0.64 0.00 0.00 41.12 40.30 1v80 n ASP 21 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1v80 s THR 22 N -2.05 1.97 -0.02 -3.53 2.01 -1.26 -3.61 115.64 109.14 1v80 s THR 22 Ca 0.32 -1.87 -0.26 0.00 0.31 0.00 0.00 61.69 60.19 1v80 s THR 22 Cb -0.02 -2.84 -0.20 0.00 0.01 0.00 0.00 72.50 69.45 1v80 s THR 22 CO 0.24 0.00 1.24 0.40 -0.69 0.00 0.00 174.62 175.80 1v80 h ILE 23 N 1.55 1.34 0.00 1.82 1.08 -1.74 -2.72 117.51 118.84 1v80 h ILE 23 Ca -0.43 -1.15 0.00 0.00 -0.39 0.00 0.00 64.86 62.89 1v80 h ILE 23 Cb 1.26 2.11 0.00 0.00 -3.07 0.00 0.00 36.82 37.12 1v80 h ILE 23 CO 0.75 0.29 0.20 -0.08 -0.69 0.00 0.00 178.15 178.62 1v80 h GLU 24 N -0.53 0.00 0.00 2.37 4.81 -1.87 0.98 114.58 120.34 1v80 h GLU 24 Ca -0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 1v80 h GLU 24 Cb 0.50 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1v80 h GLU 24 CO 0.00 0.00 -0.50 -0.91 -0.73 0.00 0.00 179.01 176.88 1v80 h ASN 25 N 0.00 0.00 0.00 1.04 2.35 -1.90 -2.13 115.58 114.95 1v80 h ASN 25 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1v80 h ASN 25 Cb 0.40 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 1v80 h ASN 25 CO 0.00 0.46 -0.25 0.58 -1.65 0.00 0.00 177.43 176.56 1v80 h VAL 26 N 0.00 1.48 -0.76 2.81 2.07 0.11 -3.27 116.25 118.69 1v80 h VAL 26 Ca -0.01 -2.21 0.04 0.00 0.82 0.00 0.00 66.70 65.34 1v80 h VAL 26 Cb 1.36 2.90 -0.05 0.00 -1.52 0.00 0.00 31.29 33.97 1v80 h VAL 26 CO 0.06 0.50 0.48 0.11 0.02 0.00 0.00 177.57 178.74 1v80 h LYS 27 N -1.00 0.89 -0.84 1.57 1.57 -1.34 0.76 116.57 118.18 1v80 h LYS 27 Ca -0.07 -0.05 0.24 0.00 -1.87 0.00 0.00 60.65 58.90 1v80 h LYS 27 Cb 0.99 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 33.06 1v80 h LYS 27 CO -0.04 0.59 0.60 0.00 -0.57 0.00 0.00 179.45 180.03 1v80 h ALA 28 N 1.33 2.72 0.02 3.86 0.00 -1.50 1.13 119.26 126.81 1v80 h ALA 28 Ca 0.31 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.99 1v80 h ALA 28 Cb 0.04 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1v80 h ALA 28 CO -0.12 -0.96 -0.93 0.87 0.00 0.00 0.00 179.25 178.10 1v80 h LYS 29 N 0.05 0.19 0.00 0.00 1.57 -0.91 -3.06 116.57 114.41 1v80 h LYS 29 Ca 0.40 -0.23 -0.10 0.00 -1.87 0.00 0.00 60.65 58.85 1v80 h LYS 29 Cb 1.54 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.91 1v80 h LYS 29 CO -0.03 0.99 -0.49 0.82 -0.57 0.00 0.00 179.45 180.17 1v80 h ILE 30 N 0.10 1.04 -0.13 1.86 1.08 0.16 0.26 117.51 121.88 1v80 h ILE 30 Ca -0.05 -1.90 0.01 0.00 -0.39 0.00 0.00 64.86 62.53 1v80 h ILE 30 Cb 1.58 2.13 -0.01 0.00 -3.07 0.00 0.00 36.82 37.45 1v80 h ILE 30 CO 0.14 0.48 0.05 1.56 -0.69 0.00 0.00 178.15 179.69 1v80 h GLN 31 N 0.00 0.11 0.00 2.37 7.50 -0.17 -1.36 115.11 123.55 1v80 h GLN 31 Ca -0.00 -0.01 -0.06 0.00 0.50 0.00 0.00 58.65 59.07 1v80 h GLN 31 Cb 1.09 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.58 1v80 h GLN 31 CO 0.06 0.07 -0.43 0.22 -1.50 0.00 0.00 178.83 177.26 1v80 h ASP 32 N 0.11 0.00 -0.59 1.46 3.58 -1.57 0.14 116.42 119.56 1v80 h ASP 32 Ca 0.05 -0.49 0.05 0.00 0.42 0.00 0.00 57.03 57.07 1v80 h ASP 32 Cb 0.03 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.01 1v80 h ASP 32 CO -0.05 0.99 -0.35 0.29 -2.88 0.00 0.00 179.24 177.24 1v80 n LYS 33 N -4.60 -0.26 -0.06 0.28 4.76 0.89 -2.35 118.16 116.82 1v80 n LYS 33 Ca -0.13 1.12 -0.07 0.00 -2.87 0.00 0.00 58.31 56.35 1v80 n LYS 33 Cb 0.40 -1.65 -0.07 0.00 -1.84 0.00 0.00 35.03 31.87 1v80 n LYS 33 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1v80 h GLU 34 N 0.00 0.00 0.00 1.97 4.39 -1.42 -3.49 114.58 116.02 1v80 h GLU 34 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1v80 h GLU 34 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1v80 h GLU 34 CO -0.55 0.51 0.00 0.41 -1.16 0.00 0.00 179.01 178.21 1v80 n GLY 35 N 1.69 1.90 3.43 -3.84 0.00 0.39 -5.06 105.19 103.71 1v80 n GLY 35 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1v80 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1v80 s ILE 36 N -2.00 2.62 0.62 -0.61 1.01 -0.59 -4.97 121.20 117.28 1v80 s ILE 36 Ca 0.00 -1.33 -0.14 0.00 0.00 0.00 0.00 60.65 59.18 1v80 s ILE 36 Cb 0.00 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.34 1v80 s ILE 36 CO 0.00 0.28 1.05 -2.16 0.00 0.00 0.00 174.94 174.12 1v80 s PRO 37 N -1.56 3.25 0.00 2.79 0.04 -1.26 -4.12 135.00 134.13 1v80 s PRO 37 Ca 0.14 1.10 0.20 0.00 0.04 0.00 0.00 61.00 62.48 1v80 s PRO 37 Cb -0.10 -2.03 1.17 0.00 0.04 0.00 0.00 34.50 33.57 1v80 s PRO 37 CO 0.05 -0.86 1.60 -0.35 0.04 0.00 0.00 177.00 177.48 1v80 n PRO 38 N -2.37 0.74 0.22 0.56 -0.04 -1.26 -2.20 135.00 130.66 1v80 n PRO 38 Ca 0.08 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.68 1v80 n PRO 38 Cb 0.53 -1.41 0.38 0.00 -0.04 0.00 0.00 33.50 32.97 1v80 n PRO 38 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1v80 h ASP 39 N 0.00 0.00 0.00 3.54 1.82 -1.98 -3.31 116.42 116.49 1v80 h ASP 39 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1v80 h ASP 39 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1v80 h ASP 39 CO 0.00 0.00 -0.93 0.00 -1.61 0.00 0.00 179.24 176.70 1v80 n GLN 40 N -2.95 3.09 -1.98 0.28 6.02 -1.06 -4.77 117.38 116.02 1v80 n GLN 40 Ca 0.03 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.65 1v80 n GLN 40 Cb 0.43 -0.96 0.03 0.00 1.02 0.00 0.00 30.24 30.76 1v80 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1v80 s GLN 41 N -1.91 3.03 -0.29 -1.09 -0.21 -0.93 -3.43 119.66 114.82 1v80 s GLN 41 Ca 0.00 1.90 0.04 0.00 0.02 0.00 0.00 55.36 57.31 1v80 s GLN 41 Cb 0.00 -2.01 0.20 0.00 1.00 0.00 0.00 33.01 32.20 1v80 s GLN 41 CO 0.00 -1.18 0.60 0.50 -2.12 0.00 0.00 175.29 173.09 1v80 s ARG 42 N -3.22 0.55 -0.11 2.91 3.52 -1.01 -4.86 118.95 116.74 1v80 s ARG 42 Ca 0.76 0.68 -0.30 0.00 -0.13 0.00 0.00 55.73 56.74 1v80 s ARG 42 Cb -0.32 0.34 -0.01 0.00 -1.56 0.00 0.00 34.95 33.39 1v80 s ARG 42 CO 0.36 -0.91 1.05 -1.17 -0.81 0.00 0.00 175.30 173.82 1v80 s LEU 43 N 2.84 4.24 -0.12 -0.88 2.96 -1.26 -1.89 118.68 124.57 1v80 s LEU 43 Ca 0.13 1.58 -0.00 0.00 -0.22 0.00 0.00 54.13 55.62 1v80 s LEU 43 Cb -0.11 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.05 1v80 s LEU 43 CO -0.24 -0.50 -0.09 -0.63 -1.32 0.00 0.00 176.35 173.57 1v80 s ILE 44 N 2.18 1.13 -0.08 6.68 -1.09 0.45 -3.83 121.20 126.63 1v80 s ILE 44 Ca 0.50 -0.36 -0.01 0.00 -2.23 0.00 0.00 60.65 58.55 1v80 s ILE 44 Cb -0.19 -1.13 -0.03 0.00 -1.58 0.00 0.00 42.46 39.53 1v80 s ILE 44 CO 0.18 0.38 -0.04 0.12 -1.23 0.00 0.00 174.94 174.35 1v80 s PHE 45 N 1.67 3.04 -1.60 3.97 5.36 -1.18 0.17 117.98 129.41 1v80 s PHE 45 Ca 0.05 0.06 -0.06 0.00 -0.96 0.00 0.00 56.93 56.02 1v80 s PHE 45 Cb -0.13 -1.77 0.06 0.00 -0.34 0.00 0.00 43.02 40.84 1v80 s PHE 45 CO -0.09 0.35 0.14 0.00 -1.46 0.00 0.00 175.22 174.17 1v80 n ALA 46 N 2.32 -1.79 -3.82 11.12 0.00 -1.26 -0.38 120.51 126.70 1v80 n ALA 46 Ca -0.18 -0.36 -0.33 0.00 0.00 0.00 0.00 53.44 52.57 1v80 n ALA 46 Cb 0.53 -1.19 0.02 0.00 0.00 0.00 0.00 19.45 18.81 1v80 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1v80 n GLY 47 N -2.19 -1.06 3.53 0.00 0.00 -1.26 -4.97 105.19 99.24 1v80 n GLY 47 Ca -0.22 0.46 -0.08 0.00 0.00 0.00 0.00 46.02 46.19 1v80 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1v80 s LYS 48 N -5.98 0.60 0.26 1.61 -2.85 0.49 -5.14 119.74 108.73 1v80 s LYS 48 Ca 0.30 1.12 -0.29 0.00 -1.00 0.00 0.00 55.97 56.10 1v80 s LYS 48 Cb -0.14 0.16 -0.14 0.00 -2.06 0.00 0.00 37.83 35.64 1v80 s LYS 48 CO 0.91 -0.16 1.08 0.94 0.10 0.00 0.00 175.35 178.22 1v80 n GLN 49 N 4.43 1.39 -3.65 1.78 7.27 -1.26 -3.08 117.38 124.25 1v80 n GLN 49 Ca -0.20 0.49 -0.22 0.00 0.07 0.00 0.00 57.00 57.14 1v80 n GLN 49 Cb 0.57 -1.91 -0.03 0.00 2.41 0.00 0.00 30.24 31.28 1v80 n GLN 49 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1v80 s LEU 50 N 0.43 3.22 -0.07 1.69 1.02 -1.25 -4.91 118.68 118.80 1v80 s LEU 50 Ca 0.62 -0.88 -0.30 0.00 0.02 0.00 0.00 54.13 53.60 1v80 s LEU 50 Cb -0.73 -1.81 0.11 0.00 0.02 0.00 0.00 46.19 43.79 1v80 s LEU 50 CO 0.58 -0.77 0.93 -1.61 0.02 0.00 0.00 176.35 175.50 1v80 s GLU 51 N -4.17 0.73 0.10 1.70 2.02 -1.26 -5.04 118.70 112.77 1v80 s GLU 51 Ca 0.45 -0.11 -0.14 0.00 0.02 0.00 0.00 54.97 55.20 1v80 s GLU 51 Cb -0.02 0.34 -0.13 0.00 0.10 0.00 0.00 34.13 34.42 1v80 s GLU 51 CO 0.27 -0.28 1.35 0.38 0.02 0.00 0.00 175.26 176.99 1v80 h ASP 52 N 2.25 0.87 -1.04 -0.19 2.03 -1.97 -2.98 116.42 115.39 1v80 h ASP 52 Ca -0.20 -0.57 0.30 0.00 -0.73 0.00 0.00 57.03 55.83 1v80 h ASP 52 Cb 1.20 -0.25 -0.04 0.00 -0.83 0.00 0.00 39.33 39.41 1v80 h ASP 52 CO 0.31 1.28 0.95 1.23 -1.03 0.00 0.00 179.24 181.98 1v80 h GLY 53 N 0.49 0.00 -0.21 7.15 0.00 -2.01 -3.40 103.07 105.09 1v80 h GLY 53 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1v80 h GLY 53 CO 0.12 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.20 1v80 n ARG 54 N -3.70 0.77 -3.92 4.80 5.12 -1.13 -5.11 116.66 113.51 1v80 n ARG 54 Ca 0.23 -0.41 -0.09 0.00 -1.93 0.00 0.00 57.85 55.65 1v80 n ARG 54 Cb 1.28 -0.06 -0.08 0.00 -1.16 0.00 0.00 32.46 32.45 1v80 n ARG 54 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1v80 s THR 55 N 0.21 0.15 0.10 0.55 -4.23 -1.26 -4.26 115.64 106.90 1v80 s THR 55 Ca 0.09 -1.27 -0.31 0.00 -1.18 0.00 0.00 61.69 59.01 1v80 s THR 55 Cb -0.01 -1.27 -0.12 0.00 1.34 0.00 0.00 72.50 72.45 1v80 s THR 55 CO 0.06 -0.70 1.60 -0.07 -0.54 0.00 0.00 174.62 174.96 1v80 h LEU 56 N 3.05 -1.10 -1.75 4.79 3.38 -1.68 1.39 115.31 123.39 1v80 h LEU 56 Ca -0.34 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1v80 h LEU 56 Cb 1.18 0.39 0.00 0.00 0.09 0.00 0.00 40.66 42.32 1v80 h LEU 56 CO 0.57 -0.50 0.05 -1.28 0.09 0.00 0.00 178.44 177.36 1v80 h SER 57 N -0.72 0.00 0.19 -0.43 0.87 -1.32 0.51 113.55 112.66 1v80 h SER 57 Ca -0.01 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.20 1v80 h SER 57 Cb 0.68 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.62 1v80 h SER 57 CO -0.14 0.00 -1.95 -0.67 -0.53 0.00 0.00 176.83 173.54 1v80 n ASP 58 N -2.45 1.87 -0.10 6.23 -0.08 0.83 -3.85 116.55 118.99 1v80 n ASP 58 Ca -0.02 0.24 0.07 0.00 -1.51 0.00 0.00 54.79 53.58 1v80 n ASP 58 Cb 0.09 -0.69 0.39 0.00 2.34 0.00 0.00 41.12 43.25 1v80 n ASP 58 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1v80 n TYR 59 N -3.39 0.05 -0.98 -0.67 4.01 0.44 -4.82 117.16 111.80 1v80 n TYR 59 Ca -0.29 -0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.42 1v80 n TYR 59 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.08 1v80 n TYR 59 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1v80 n ASN 60 N -0.52 0.00 -4.72 7.72 6.94 -0.20 -4.98 115.26 119.50 1v80 n ASN 60 Ca 0.11 0.00 -0.42 0.00 -0.02 0.00 0.00 54.58 54.26 1v80 n ASN 60 Cb 0.10 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.52 1v80 n ASN 60 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1v80 n ILE 61 N -2.00 2.19 -3.65 1.53 5.41 0.15 -4.93 119.36 118.06 1v80 n ILE 61 Ca 0.00 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.25 1v80 n ILE 61 Cb 0.00 -1.70 0.00 0.00 -0.71 0.00 0.00 39.64 37.23 1v80 n ILE 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1v80 n GLN 62 N 0.34 0.00 -2.33 0.38 10.64 -1.26 -4.02 117.38 121.13 1v80 n GLN 62 Ca 0.04 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 54.80 1v80 n GLN 62 Cb 0.38 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.73 1v80 n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 1v80 s LYS 63 N -1.16 4.48 -0.59 2.61 -2.85 -1.26 -3.20 119.74 117.77 1v80 s LYS 63 Ca 0.00 1.93 -0.02 0.00 -1.00 0.00 0.00 55.97 56.88 1v80 s LYS 63 Cb 0.00 -3.21 0.00 0.00 -2.06 0.00 0.00 37.83 32.56 1v80 s LYS 63 CO 0.00 -0.09 0.51 0.39 0.10 0.00 0.00 175.35 176.26 1v80 n GLU 64 N 2.20 -3.42 -3.67 1.78 1.02 0.96 -4.88 120.64 114.63 1v80 n GLU 64 Ca 0.04 0.38 -0.39 0.00 -0.02 0.00 0.00 57.16 57.17 1v80 n GLU 64 Cb 0.44 -4.05 -0.11 0.00 -0.02 0.00 0.00 31.44 27.71 1v80 n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1v80 s SER 65 N -3.33 5.49 -0.12 1.62 0.01 -1.19 -4.88 113.70 111.29 1v80 s SER 65 Ca 0.16 -1.58 -0.29 0.00 1.31 0.00 0.00 55.95 55.55 1v80 s SER 65 Cb -0.07 -1.93 -0.01 0.00 0.21 0.00 0.00 66.02 64.22 1v80 s SER 65 CO 0.33 -0.51 1.06 -0.89 0.41 0.00 0.00 173.24 173.65 1v80 s THR 66 N 1.36 4.64 0.77 1.44 2.01 -1.26 -1.37 115.64 123.22 1v80 s THR 66 Ca 0.03 1.93 -0.05 0.00 0.31 0.00 0.00 61.69 63.91 1v80 s THR 66 Cb -0.23 -4.24 0.16 0.00 0.01 0.00 0.00 72.50 68.20 1v80 s THR 66 CO 0.01 -0.04 1.05 0.18 -0.69 0.00 0.00 174.62 175.12 1v80 n LEU 67 N 5.37 0.00 -3.94 4.42 7.99 0.10 -4.73 117.00 126.21 1v80 n LEU 67 Ca 0.10 -1.78 -0.31 0.00 -0.01 0.00 0.00 56.01 54.01 1v80 n LEU 67 Cb 0.48 -0.73 -0.15 0.00 -0.11 0.00 0.00 43.42 42.91 1v80 n LEU 67 CO 0.53 -1.11 -0.35 -1.00 -1.51 0.00 0.00 177.39 173.95 1v80 s HIS 68 N -3.18 3.07 -0.42 -1.77 3.76 0.46 0.38 115.29 117.58 1v80 s HIS 68 Ca 0.65 -2.51 -0.23 0.00 -0.15 0.00 0.00 55.06 52.82 1v80 s HIS 68 Cb -0.03 -2.42 0.02 0.00 1.11 0.00 0.00 32.58 31.26 1v80 s HIS 68 CO 0.44 -0.91 0.80 -1.17 -0.85 0.00 0.00 174.74 173.05 1v80 s LEU 69 N 1.15 4.19 0.00 0.89 2.96 0.49 -0.41 118.68 127.96 1v80 s LEU 69 Ca 0.08 0.06 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 1v80 s LEU 69 Cb -0.19 -3.00 -0.01 0.00 0.50 0.00 0.00 46.19 43.50 1v80 s LEU 69 CO -0.12 -0.87 0.06 1.33 -1.32 0.00 0.00 176.35 175.43 1v80 n VAL 70 N 6.05 0.00 -2.50 1.68 0.24 -0.79 -2.67 118.33 120.34 1v80 n VAL 70 Ca 0.03 -2.30 0.00 0.00 -2.04 0.00 0.00 64.34 60.03 1v80 n VAL 70 Cb 0.48 0.62 0.00 0.00 -1.47 0.00 0.00 33.84 33.48 1v80 n VAL 70 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1v80 n LEU 71 N 0.00 0.00 -3.95 1.34 7.94 -1.25 -2.39 117.00 118.69 1v80 n LEU 71 Ca -0.14 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.68 1v80 n LEU 71 Cb 0.60 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.46 1v80 n LEU 71 CO 0.32 -0.48 -0.22 -0.60 -1.11 0.00 0.00 177.39 175.31 1v80 s ARG 72 N -2.00 0.65 1.29 1.96 3.52 -1.22 -4.78 118.95 118.37 1v80 s ARG 72 Ca 0.00 -0.90 -0.21 0.00 -0.13 0.00 0.00 55.73 54.50 1v80 s ARG 72 Cb 0.00 0.25 0.32 0.00 -1.56 0.00 0.00 34.95 33.96 1v80 s ARG 72 CO 0.00 -0.17 0.73 1.47 -0.81 0.00 0.00 175.30 176.52 1v80 n LEU 73 N 0.45 0.00 -3.95 -0.88 -0.00 -1.26 -4.78 117.00 106.58 1v80 n LEU 73 Ca -0.17 -0.74 -0.45 0.00 -0.00 0.00 0.00 56.01 54.66 1v80 n LEU 73 Cb 0.60 -0.88 -0.04 0.00 -0.00 0.00 0.00 43.42 43.10 1v80 n LEU 73 CO 0.24 -2.69 0.09 -2.11 -0.00 0.00 0.00 177.39 172.92 1v80 n ARG 74 N -4.72 0.00 -2.83 1.47 1.85 -1.26 -4.91 116.66 106.26 1v80 n ARG 74 Ca 0.12 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.86 1v80 n ARG 74 Cb 0.50 -0.98 0.06 0.00 -1.05 0.00 0.00 32.46 31.00 1v80 n ARG 74 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1v80 n GLY 75 N 1.71 1.48 0.00 2.89 0.00 -1.26 -5.18 105.19 104.83 1v80 n GLY 75 Ca 0.16 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1v80 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93