#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r2u n ASN 2 N 0.00 -4.15 0.00 7.83 5.03 -1.26 -5.07 115.26 117.64 1r2u n ASN 2 Ca 0.00 0.89 0.00 0.00 0.87 0.00 0.00 54.58 56.34 1r2u n ASN 2 Cb 0.00 -1.94 0.00 0.00 -1.02 0.00 0.00 39.78 36.82 1r2u n ASN 2 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1r2u n ASP 3 N -1.95 0.00 0.27 6.41 2.03 -1.26 -4.96 116.55 117.09 1r2u n ASP 3 Ca 0.00 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.45 1r2u n ASP 3 Cb 0.22 0.00 0.77 0.00 -0.72 0.00 0.00 41.12 41.39 1r2u n ASP 3 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 1r2u h ILE 4 N 0.00 0.46 -0.24 5.18 -2.65 -1.94 -1.95 117.51 116.37 1r2u h ILE 4 Ca 0.00 -0.46 -0.09 0.00 1.03 0.00 0.00 64.86 65.34 1r2u h ILE 4 Cb 0.00 1.32 -0.01 0.00 -2.05 0.00 0.00 36.82 36.07 1r2u h ILE 4 CO 0.00 0.09 -0.22 1.88 0.03 0.00 0.00 178.15 179.93 1r2u h TYR 5 N 0.00 0.49 0.18 0.16 0.05 -1.93 0.30 116.97 116.22 1r2u h TYR 5 Ca -0.00 -0.09 -0.31 0.00 0.05 0.00 0.00 58.73 58.38 1r2u h TYR 5 Cb 0.31 -0.12 0.03 0.00 1.01 0.00 0.00 36.73 37.95 1r2u h TYR 5 CO 0.00 0.64 -1.35 0.87 -1.05 0.00 0.00 178.16 177.27 1r2u h LYS 6 N 0.40 0.50 -0.01 4.88 1.79 -1.77 -1.41 116.57 120.94 1r2u h LYS 6 Ca 0.06 -0.78 -0.13 0.00 -2.18 0.00 0.00 60.65 57.62 1r2u h LYS 6 Cb 0.61 0.28 -0.02 0.00 -1.58 0.00 0.00 32.23 31.53 1r2u h LYS 6 CO 0.04 1.36 -0.61 0.00 -1.08 0.00 0.00 179.45 179.16 1r2u h ALA 7 N 0.31 0.98 0.00 3.86 0.00 -1.26 -3.15 119.26 120.01 1r2u h ALA 7 Ca -0.20 -0.56 -0.09 0.00 0.00 0.00 0.00 54.91 54.06 1r2u h ALA 7 Cb 2.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 1r2u h ALA 7 CO 0.25 0.76 -0.95 0.00 0.00 0.00 0.00 179.25 179.31 1r2u h ALA 8 N 1.37 0.65 -0.58 0.00 0.00 -0.46 -3.35 119.26 116.89 1r2u h ALA 8 Ca -0.01 -0.42 0.08 0.00 0.00 0.00 0.00 54.91 54.57 1r2u h ALA 8 Cb 1.09 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1r2u h ALA 8 CO 0.08 0.48 0.39 -0.24 0.00 0.00 0.00 179.25 179.96 1r2u h VAL 9 N 0.00 0.93 0.00 0.00 3.04 -1.20 0.68 116.25 119.70 1r2u h VAL 9 Ca -0.06 -0.16 -0.03 0.00 -1.01 0.00 0.00 66.70 65.44 1r2u h VAL 9 Cb 1.30 0.44 -0.00 0.00 -2.01 0.00 0.00 31.29 31.02 1r2u h VAL 9 CO 0.03 0.08 -0.14 -0.33 -1.01 0.00 0.00 177.57 176.20 1r2u h GLU 10 N 0.45 0.00 0.23 4.17 4.39 -1.69 -3.18 114.58 118.95 1r2u h GLU 10 Ca 0.26 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.66 1r2u h GLU 10 Cb 0.43 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.12 1r2u h GLU 10 CO -0.07 0.14 -1.32 1.96 -1.16 0.00 0.00 179.01 178.56 1r2u h GLN 11 N 0.00 0.49 -7.42 2.33 1.08 -1.07 -3.46 115.11 107.05 1r2u h GLN 11 Ca -0.00 -0.83 -0.47 0.00 -1.45 0.00 0.00 58.65 55.89 1r2u h GLN 11 Cb 0.76 0.31 0.13 0.00 -0.05 0.00 0.00 27.48 28.63 1r2u h GLN 11 CO 0.02 1.40 0.30 -0.51 -0.95 0.00 0.00 178.83 179.08 1r2u s LEU 12 N -7.67 2.25 0.43 1.46 1.43 -0.83 -5.09 118.68 110.67 1r2u s LEU 12 Ca -0.10 1.22 0.04 0.00 -1.03 0.00 0.00 54.13 54.26 1r2u s LEU 12 Cb 0.03 -3.67 -0.05 0.00 0.03 0.00 0.00 46.19 42.54 1r2u s LEU 12 CO 0.92 -2.38 0.03 0.42 0.23 0.00 0.00 176.35 175.57 1r2u s THR 13 N -3.14 1.40 0.44 5.49 -4.23 -1.26 -4.97 115.64 109.37 1r2u s THR 13 Ca 0.63 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.29 1r2u s THR 13 Cb -0.16 -2.59 0.18 0.00 1.34 0.00 0.00 72.50 71.28 1r2u s THR 13 CO 0.55 0.00 1.98 -0.78 -0.54 0.00 0.00 174.62 175.83 1r2u h ASP 14 N 1.68 0.00 -0.95 3.99 3.58 -1.98 -2.56 116.42 120.18 1r2u h ASP 14 Ca -0.42 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.05 1r2u h ASP 14 Cb 1.27 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.27 1r2u h ASP 14 CO 0.74 0.20 0.62 -0.33 -2.88 0.00 0.00 179.24 177.59 1r2u h GLU 15 N 0.00 1.21 -0.20 0.28 5.08 -1.98 0.91 114.58 119.87 1r2u h GLU 15 Ca -0.00 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1r2u h GLU 15 Cb 0.37 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1r2u h GLU 15 CO 0.03 0.80 0.05 -0.56 -1.00 0.00 0.00 179.01 178.33 1r2u h GLN 16 N 1.24 0.28 0.00 2.33 -0.00 -1.86 -1.29 115.11 115.81 1r2u h GLN 16 Ca 0.36 -0.03 -0.22 0.00 -0.00 0.00 0.00 58.65 58.76 1r2u h GLN 16 Cb -0.08 -0.06 -0.03 0.00 -0.00 0.00 0.00 27.48 27.32 1r2u h GLN 16 CO -0.10 0.26 -1.07 0.87 -0.00 0.00 0.00 178.83 178.80 1r2u h LYS 17 N 0.28 0.00 -0.45 0.06 6.56 -1.34 -2.26 116.57 119.42 1r2u h LYS 17 Ca 0.07 -0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.64 1r2u h LYS 17 Cb 0.11 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.75 1r2u h LYS 17 CO -0.00 0.95 0.22 -0.91 -2.06 0.00 0.00 179.45 177.64 1r2u h ASN 18 N 0.00 0.59 -0.21 0.86 2.35 0.21 0.32 115.58 119.71 1r2u h ASN 18 Ca -0.04 -0.13 -0.19 0.00 -0.55 0.00 0.00 56.30 55.39 1r2u h ASN 18 Cb 1.79 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 40.02 1r2u h ASN 18 CO 0.13 0.56 -0.62 -0.33 -1.65 0.00 0.00 177.43 175.51 1r2u h GLU 19 N 0.59 0.79 -0.82 0.81 4.39 -1.37 -2.65 114.58 116.31 1r2u h GLU 19 Ca 0.15 -0.57 -0.02 0.00 0.34 0.00 0.00 59.36 59.27 1r2u h GLU 19 Cb 0.12 0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.83 1r2u h GLU 19 CO -0.02 1.19 0.45 0.74 -1.16 0.00 0.00 179.01 180.21 1r2u h PHE 20 N 0.53 1.13 -0.28 4.33 -1.00 -1.17 0.18 116.94 120.66 1r2u h PHE 20 Ca -0.02 -0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.69 1r2u h PHE 20 Cb 1.24 -0.36 -0.01 0.00 3.61 0.00 0.00 35.95 40.43 1r2u h PHE 20 CO 0.08 0.78 -0.01 -0.22 -1.61 0.00 0.00 178.31 177.34 1r2u h LYS 21 N 1.15 0.50 -0.43 1.51 1.63 -0.33 -0.27 116.57 120.33 1r2u h LYS 21 Ca 0.29 -0.16 -0.06 0.00 -0.85 0.00 0.00 60.65 59.87 1r2u h LYS 21 Cb 0.03 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.60 1r2u h LYS 21 CO -0.05 0.66 0.04 0.00 -3.45 0.00 0.00 179.45 176.65 1r2u h ALA 22 N 0.82 0.58 0.00 5.00 0.00 -1.19 0.18 119.26 124.65 1r2u h ALA 22 Ca 0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1r2u h ALA 22 Cb 0.44 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1r2u h ALA 22 CO 0.02 0.33 -0.12 0.00 0.00 0.00 0.00 179.25 179.48 1r2u h ALA 23 N 0.92 1.55 0.00 0.00 0.00 -0.55 -1.75 119.26 119.44 1r2u h ALA 23 Ca 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1r2u h ALA 23 Cb 0.43 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1r2u h ALA 23 CO 0.01 0.15 -0.08 0.35 0.00 0.00 0.00 179.25 179.68 1r2u h PHE 24 N 0.00 0.00 -0.77 0.00 3.57 -0.53 -3.33 116.94 115.88 1r2u h PHE 24 Ca -0.00 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.65 1r2u h PHE 24 Cb 0.25 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 38.89 1r2u h PHE 24 CO 0.00 0.51 0.29 0.22 -2.23 0.00 0.00 178.31 177.10 1r2u h ASP 25 N -1.00 0.25 -0.68 0.41 3.58 -0.55 0.10 116.42 118.54 1r2u h ASP 25 Ca -0.02 0.12 0.07 0.00 0.42 0.00 0.00 57.03 57.62 1r2u h ASP 25 Cb 0.52 0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.64 1r2u h ASP 25 CO -0.01 0.07 0.45 0.16 -2.88 0.00 0.00 179.24 177.03 1r2u h ILE 26 N 0.42 1.00 0.00 2.25 3.07 -1.48 -1.34 117.51 121.42 1r2u h ILE 26 Ca 0.43 -0.23 -0.18 0.00 1.55 0.00 0.00 64.86 66.43 1r2u h ILE 26 Cb 0.69 0.27 -0.03 0.00 -0.27 0.00 0.00 36.82 37.48 1r2u h ILE 26 CO -0.43 0.12 -1.04 -0.26 -1.05 0.00 0.00 178.15 175.49 1r2u h PHE 27 N 0.67 0.00 -0.47 0.16 -1.00 -1.14 -3.29 116.94 111.87 1r2u h PHE 27 Ca 0.30 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.89 1r2u h PHE 27 Cb 0.31 0.00 -0.11 0.00 3.61 0.00 0.00 35.95 39.75 1r2u h PHE 27 CO -0.00 0.78 0.24 -0.89 -1.61 0.00 0.00 178.31 176.83 1r2u n ILE 28 N -3.19 1.98 0.02 -0.55 2.08 0.17 -4.26 119.36 115.61 1r2u n ILE 28 Ca -0.04 -0.95 -0.03 0.00 0.56 0.00 0.00 62.75 62.28 1r2u n ILE 28 Cb 0.88 -0.60 0.20 0.00 -0.75 0.00 0.00 39.64 39.37 1r2u n ILE 28 CO 0.00 0.00 0.00 0.06 0.56 0.00 0.00 176.55 177.17 1r2u h GLN 29 N 1.10 0.46 -0.34 0.38 3.07 -1.52 -3.33 115.11 114.94 1r2u h GLN 29 Ca 0.23 -0.18 -0.23 0.00 0.09 0.00 0.00 58.65 58.56 1r2u h GLN 29 Cb 1.79 -0.02 -0.32 0.00 0.08 0.00 0.00 27.48 29.00 1r2u h GLN 29 CO 0.49 0.70 -0.86 -0.40 0.09 0.00 0.00 178.83 178.85 1r2u n ASP 30 N -4.11 0.59 -4.74 0.06 5.68 -1.26 -5.13 116.55 107.64 1r2u n ASP 30 Ca -0.01 -2.14 -0.31 0.00 -0.50 0.00 0.00 54.79 51.84 1r2u n ASP 30 Cb 0.42 -0.11 0.11 0.00 -1.14 0.00 0.00 41.12 40.41 1r2u n ASP 30 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1r2u s ALA 31 N -2.52 2.03 -0.10 2.12 0.00 -1.25 -4.99 121.76 117.04 1r2u s ALA 31 Ca 0.22 0.34 -0.26 0.00 0.00 0.00 0.00 51.96 52.26 1r2u s ALA 31 Cb 0.37 -3.32 -0.28 0.00 0.00 0.00 0.00 23.12 19.89 1r2u s ALA 31 CO -0.06 -2.05 0.83 0.93 0.00 0.00 0.00 175.76 175.41 1r2u h GLU 32 N -1.34 0.14 -0.07 0.00 5.08 -1.96 -3.37 114.58 113.05 1r2u h GLU 32 Ca -0.44 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 57.66 1r2u h GLU 32 Cb 1.24 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 1r2u h GLU 32 CO 0.49 1.11 -0.32 -3.47 -1.00 0.00 0.00 179.01 175.82 1r2u n ASP 33 N -4.39 2.03 -2.22 1.42 2.03 -1.26 -4.95 116.55 109.21 1r2u n ASP 33 Ca -0.12 -3.72 -0.17 0.00 0.52 0.00 0.00 54.79 51.30 1r2u n ASP 33 Cb 0.64 -0.53 0.01 0.00 -0.72 0.00 0.00 41.12 40.52 1r2u n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1r2u n GLY 34 N -1.15 -0.30 3.36 0.27 0.00 -1.26 -4.99 105.19 101.11 1r2u n GLY 34 Ca 0.21 -0.11 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 1r2u n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r2u s ILE 36 N -3.35 2.32 0.29 0.00 -5.25 -0.98 -4.60 121.20 109.64 1r2u s ILE 36 Ca 0.37 -1.26 -0.01 0.00 -0.99 0.00 0.00 60.65 58.76 1r2u s ILE 36 Cb 0.02 -2.58 -0.04 0.00 2.95 0.00 0.00 42.46 42.81 1r2u s ILE 36 CO 0.24 0.00 0.51 -0.55 -1.79 0.00 0.00 174.94 173.35 1r2u s SER 37 N -4.32 6.36 0.15 4.36 0.15 -1.26 0.02 113.70 119.16 1r2u s SER 37 Ca 0.49 0.52 -0.16 0.00 0.70 0.00 0.00 55.95 57.50 1r2u s SER 37 Cb -0.04 -2.06 0.02 0.00 -1.71 0.00 0.00 66.02 62.23 1r2u s SER 37 CO 0.29 -0.20 1.76 0.71 1.20 0.00 0.00 173.24 177.00 1r2u h THR 38 N 1.12 1.15 0.00 6.45 1.35 -1.92 -1.91 112.91 119.15 1r2u h THR 38 Ca -0.49 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 1r2u h THR 38 Cb 1.20 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1r2u h THR 38 CO 0.64 0.16 0.00 0.07 -0.25 0.00 0.00 175.52 176.14 1r2u h LYS 39 N 0.57 0.00 0.00 4.72 2.10 -1.95 -2.75 116.57 119.27 1r2u h LYS 39 Ca 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 1r2u h LYS 39 Cb 0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 1r2u h LYS 39 CO -0.03 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.81 1r2u n GLU 40 N -2.91 0.59 -0.14 0.07 4.71 -0.73 -3.74 120.64 118.50 1r2u n GLU 40 Ca 0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.08 1r2u n GLU 40 Cb 0.32 -1.50 -0.00 0.00 -1.01 0.00 0.00 31.44 29.25 1r2u n GLU 40 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1r2u h LEU 41 N 0.00 0.52 -2.90 -4.62 5.85 -1.42 -1.41 115.31 111.33 1r2u h LEU 41 Ca 0.00 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1r2u h LEU 41 Cb 0.20 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 1r2u h LEU 41 CO 0.00 0.47 -0.00 1.23 -0.34 0.00 0.00 178.44 179.80 1r2u h GLY 42 N 0.54 0.00 0.94 3.75 0.00 -1.81 -1.75 103.07 104.74 1r2u h GLY 42 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.13 1r2u h GLY 42 CO -0.02 0.00 -1.74 1.70 0.00 0.00 0.00 176.54 176.47 1r2u h LYS 43 N 0.00 0.39 -0.25 4.80 1.63 -1.51 -3.23 116.57 118.41 1r2u h LYS 43 Ca -0.00 -0.67 -0.15 0.00 -0.85 0.00 0.00 60.65 58.98 1r2u h LYS 43 Cb 0.01 0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 31.88 1r2u h LYS 43 CO 0.00 1.32 -0.45 -0.39 -3.45 0.00 0.00 179.45 176.47 1r2u h VAL 44 N 0.11 1.30 -0.26 2.00 -1.51 -0.70 -3.02 116.25 114.18 1r2u h VAL 44 Ca -0.34 -1.65 -0.08 0.00 -1.23 0.00 0.00 66.70 63.40 1r2u h VAL 44 Cb 2.10 1.60 -0.01 0.00 -2.13 0.00 0.00 31.29 32.84 1r2u h VAL 44 CO 0.18 0.52 -0.18 0.24 -1.23 0.00 0.00 177.57 177.10 1r2u h MET 45 N 0.51 0.45 -0.88 5.19 2.86 -1.50 -2.48 114.93 119.08 1r2u h MET 45 Ca 0.03 -0.14 0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1r2u h MET 45 Cb 0.99 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.56 1r2u h MET 45 CO 0.09 0.62 0.58 0.00 1.06 0.00 0.00 176.91 179.26 1r2u h ARG 46 N 0.41 1.12 -0.20 1.72 3.08 -1.31 0.15 114.38 119.35 1r2u h ARG 46 Ca 0.07 -0.07 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 1r2u h ARG 46 Cb 0.55 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1r2u h ARG 46 CO 0.04 0.74 -0.46 0.52 -1.07 0.00 0.00 179.97 179.74 1r2u h MET 47 N 1.15 0.52 0.56 0.04 2.86 -1.46 -3.31 114.93 115.30 1r2u h MET 47 Ca 0.34 -0.28 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1r2u h MET 47 Cb -0.07 0.02 0.01 0.00 0.06 0.00 0.00 31.60 31.62 1r2u h MET 47 CO -0.09 0.87 -0.27 -0.07 1.06 0.00 0.00 176.91 178.41 1r2u h LEU 48 N 0.42 -0.64 0.00 1.22 3.38 -0.93 -3.48 115.31 115.28 1r2u h LEU 48 Ca 0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1r2u h LEU 48 Cb 0.97 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1r2u h LEU 48 CO 0.09 -0.24 0.00 0.61 0.09 0.00 0.00 178.44 178.99 1r2u n GLY 49 N -0.14 0.00 3.42 0.83 0.00 0.35 -5.11 105.19 104.54 1r2u n GLY 49 Ca -0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 1r2u n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r2u s GLN 50 N 0.00 0.94 -0.44 1.61 -0.21 -0.11 -5.01 119.66 116.44 1r2u s GLN 50 Ca 0.00 0.06 0.05 0.00 0.02 0.00 0.00 55.36 55.49 1r2u s GLN 50 Cb 0.00 0.44 0.17 0.00 1.00 0.00 0.00 33.01 34.62 1r2u s GLN 50 CO 0.00 -0.29 0.48 1.21 -2.12 0.00 0.00 175.29 174.57 1r2u s ASN 51 N -1.33 0.37 0.57 5.90 3.04 -1.26 -2.20 114.94 120.03 1r2u s ASN 51 Ca -0.11 -2.27 0.00 0.00 0.04 0.00 0.00 52.86 50.52 1r2u s ASN 51 Cb -0.02 0.59 0.00 0.00 -1.54 0.00 0.00 41.25 40.28 1r2u s ASN 51 CO 0.07 -0.15 0.00 -0.81 -3.04 0.00 0.00 177.10 173.17 1r2u n PRO 52 N 3.20 0.54 -2.75 0.43 -0.04 -1.26 -5.10 135.00 130.03 1r2u n PRO 52 Ca 0.22 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.46 1r2u n PRO 52 Cb 0.50 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.99 1r2u n PRO 52 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1r2u s THR 53 N -0.31 3.16 0.26 0.52 -4.23 -1.26 -4.94 115.64 108.85 1r2u s THR 53 Ca 0.00 -0.58 0.20 0.00 -1.18 0.00 0.00 61.69 60.13 1r2u s THR 53 Cb 0.00 -3.19 0.17 0.00 1.34 0.00 0.00 72.50 70.83 1r2u s THR 53 CO 0.00 -0.13 1.84 1.55 -0.54 0.00 0.00 174.62 177.33 1r2u h PRO 54 N 0.17 0.00 0.15 3.99 0.13 -1.99 -2.16 132.00 132.29 1r2u h PRO 54 Ca -0.44 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.40 1r2u h PRO 54 Cb 1.28 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.42 1r2u h PRO 54 CO 0.54 0.30 -1.32 0.93 -0.23 0.00 0.00 178.00 178.22 1r2u h GLU 55 N 0.00 0.32 0.76 0.86 5.08 -1.99 -2.90 114.58 116.71 1r2u h GLU 55 Ca -0.00 -0.55 -0.04 0.00 -1.00 0.00 0.00 59.36 57.77 1r2u h GLU 55 Cb 0.71 0.21 0.01 0.00 0.50 0.00 0.00 28.75 30.17 1r2u h GLU 55 CO 0.04 1.25 -0.37 0.93 -1.00 0.00 0.00 179.01 179.87 1r2u h GLU 56 N 0.09 -0.99 -0.20 2.33 5.08 -1.89 -2.92 114.58 116.08 1r2u h GLU 56 Ca -0.17 0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1r2u h GLU 56 Cb 2.02 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 31.48 1r2u h GLU 56 CO 0.21 -0.65 0.15 1.37 -1.00 0.00 0.00 179.01 179.09 1r2u h LEU 57 N -1.25 0.00 -0.74 1.33 8.10 -1.55 -1.77 115.31 119.43 1r2u h LEU 57 Ca -0.10 0.00 0.02 0.00 0.11 0.00 0.00 57.88 57.91 1r2u h LEU 57 Cb 0.79 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.97 1r2u h LEU 57 CO 0.17 0.00 0.48 -0.61 -4.11 0.00 0.00 178.44 174.37 1r2u h GLN 58 N 0.00 0.92 -0.84 0.17 5.75 -1.38 -1.58 115.11 118.15 1r2u h GLN 58 Ca 0.10 -0.06 0.03 0.00 -0.15 0.00 0.00 58.65 58.57 1r2u h GLN 58 Cb 0.39 -0.21 -0.05 0.00 1.07 0.00 0.00 27.48 28.68 1r2u h GLN 58 CO -0.00 0.61 0.54 0.93 -2.65 0.00 0.00 178.83 178.26 1r2u h GLU 59 N 0.95 1.03 -0.77 1.69 4.39 -1.13 -1.93 114.58 118.81 1r2u h GLU 59 Ca 0.29 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.92 1r2u h GLU 59 Cb -0.04 -0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 28.34 1r2u h GLU 59 CO -0.09 0.68 0.47 0.52 -1.16 0.00 0.00 179.01 179.43 1r2u h MET 60 N 1.06 1.03 0.00 2.33 2.86 -1.32 -1.02 114.93 119.87 1r2u h MET 60 Ca 0.33 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1r2u h MET 60 Cb -0.01 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.43 1r2u h MET 60 CO -0.11 0.72 0.00 -0.89 1.06 0.00 0.00 176.91 177.70 1r2u n ILE 61 N -4.50 0.00 -0.16 -1.22 2.08 -0.67 -0.09 119.36 114.79 1r2u n ILE 61 Ca 0.07 1.48 0.11 0.00 0.56 0.00 0.00 62.75 64.98 1r2u n ILE 61 Cb 0.05 -2.27 0.44 0.00 -0.75 0.00 0.00 39.64 37.11 1r2u n ILE 61 CO 0.00 0.00 0.00 -0.78 0.56 0.00 0.00 176.55 176.33 1r2u h ASP 62 N 0.00 0.51 -0.65 4.38 1.82 -1.53 0.39 116.42 121.33 1r2u h ASP 62 Ca 0.00 0.02 -0.09 0.00 -0.39 0.00 0.00 57.03 56.57 1r2u h ASP 62 Cb 0.00 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 39.90 1r2u h ASP 62 CO 0.00 0.30 0.07 -0.33 -1.61 0.00 0.00 179.24 177.67 1r2u h GLU 63 N 0.56 1.11 0.03 0.28 4.39 -0.78 -3.22 114.58 116.94 1r2u h GLU 63 Ca 0.34 -0.31 -0.29 0.00 0.34 0.00 0.00 59.36 59.44 1r2u h GLU 63 Cb 0.56 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.06 1r2u h GLU 63 CO -0.12 1.03 -1.59 -0.39 -1.16 0.00 0.00 179.01 176.79 1r2u h VAL 64 N 1.02 1.02 -0.74 3.13 -1.51 0.30 -3.43 116.25 116.04 1r2u h VAL 64 Ca 0.19 -2.81 -0.28 0.00 -1.23 0.00 0.00 66.70 62.58 1r2u h VAL 64 Cb 0.48 2.54 -0.04 0.00 -2.13 0.00 0.00 31.29 32.14 1r2u h VAL 64 CO 0.02 0.65 0.70 -0.62 -1.23 0.00 0.00 177.57 177.09 1r2u s ASP 65 N -6.40 5.04 0.15 4.19 -1.08 0.13 -4.62 116.67 114.08 1r2u s ASP 65 Ca -0.06 -0.57 -0.16 0.00 -0.52 0.00 0.00 52.55 51.24 1r2u s ASP 65 Cb 0.08 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.99 1r2u s ASP 65 CO 0.82 -2.83 1.79 -0.33 0.52 0.00 0.00 175.17 175.14 1r2u h GLU 66 N 11.59 0.53 0.14 4.34 5.08 -1.84 -3.10 114.58 131.33 1r2u h GLU 66 Ca 0.07 -0.04 -0.29 0.00 -1.00 0.00 0.00 59.36 58.10 1r2u h GLU 66 Cb 1.01 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 30.16 1r2u h GLU 66 CO 1.19 0.38 -1.34 0.38 -1.00 0.00 0.00 179.01 178.63 1r2u h ASP 67 N 0.52 0.48 -3.56 1.42 3.04 -1.96 -3.49 116.42 112.87 1r2u h ASP 67 Ca 0.14 -0.54 -0.11 0.00 -3.24 0.00 0.00 57.03 53.29 1r2u h ASP 67 Cb -0.01 -0.16 0.07 0.00 -1.04 0.00 0.00 39.33 38.19 1r2u h ASP 67 CO -0.03 1.42 -0.29 0.61 -2.04 0.00 0.00 179.24 178.92 1r2u n GLY 68 N 1.59 0.16 0.10 7.15 0.00 -1.17 -5.01 105.19 108.00 1r2u n GLY 68 Ca -0.11 -0.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.60 1r2u n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1r2u h SER 69 N -0.55 0.00 0.00 1.61 4.64 -1.94 -3.49 113.55 113.81 1r2u h SER 69 Ca -0.21 -0.37 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 1r2u h SER 69 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1r2u h SER 69 CO 0.17 1.29 0.00 0.61 -0.87 0.00 0.00 176.83 178.03 1r2u n GLY 70 N 1.48 1.09 3.83 -0.77 0.00 -1.26 -5.14 105.19 104.42 1r2u n GLY 70 Ca -0.25 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 1r2u n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r2u s THR 71 N 0.00 4.81 -0.26 2.61 -4.23 -1.26 -3.29 115.64 114.01 1r2u s THR 71 Ca 0.00 -0.69 -0.12 0.00 -1.18 0.00 0.00 61.69 59.70 1r2u s THR 71 Cb 0.00 -3.35 -0.05 0.00 1.34 0.00 0.00 72.50 70.45 1r2u s THR 71 CO 0.00 0.09 0.25 -0.69 -0.54 0.00 0.00 174.62 173.74 1r2u s VAL 72 N -1.48 5.27 0.74 2.29 1.01 0.10 -4.89 120.40 123.45 1r2u s VAL 72 Ca 0.31 0.32 -0.08 0.00 0.00 0.00 0.00 61.98 62.54 1r2u s VAL 72 Cb -0.12 -3.59 0.07 0.00 0.00 0.00 0.00 36.38 32.74 1r2u s VAL 72 CO 0.24 0.24 1.06 -1.81 0.00 0.00 0.00 175.10 174.84 1r2u s ASP 73 N 1.54 4.66 0.37 3.32 1.11 -1.26 -2.31 116.67 124.11 1r2u s ASP 73 Ca 0.10 0.50 0.06 0.00 0.18 0.00 0.00 52.55 53.39 1r2u s ASP 73 Cb -0.15 -1.08 0.73 0.00 1.07 0.00 0.00 42.92 43.49 1r2u s ASP 73 CO 0.09 -1.72 1.97 0.15 1.18 0.00 0.00 175.17 176.84 1r2u h PHE 74 N -0.74 0.53 -0.55 4.23 3.57 -1.98 0.32 116.94 122.33 1r2u h PHE 74 Ca -0.45 -0.02 -0.11 0.00 3.53 0.00 0.00 57.97 60.93 1r2u h PHE 74 Cb 1.31 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.87 1r2u h PHE 74 CO 0.25 0.43 -0.08 -0.44 -2.23 0.00 0.00 178.31 176.24 1r2u h ASP 75 N 0.53 1.02 1.53 0.41 5.19 -1.99 -0.36 116.42 122.76 1r2u h ASP 75 Ca 0.13 -0.34 -0.03 0.00 -0.62 0.00 0.00 57.03 56.17 1r2u h ASP 75 Cb 0.13 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.36 1r2u h ASP 75 CO -0.01 1.12 -0.13 -0.33 -3.12 0.00 0.00 179.24 176.76 1r2u h GLU 76 N 0.90 0.00 0.10 3.56 5.08 -1.63 -2.63 114.58 119.96 1r2u h GLU 76 Ca 0.15 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.22 1r2u h GLU 76 Cb 0.64 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.92 1r2u h GLU 76 CO 0.04 0.13 -1.20 0.35 -1.00 0.00 0.00 179.01 177.34 1r2u h PHE 77 N 0.00 0.90 0.02 4.33 3.57 0.06 -3.30 116.94 122.52 1r2u h PHE 77 Ca -0.00 -0.56 -0.24 0.00 3.53 0.00 0.00 57.97 60.69 1r2u h PHE 77 Cb 0.94 -0.07 0.01 0.00 2.79 0.00 0.00 35.95 39.61 1r2u h PHE 77 CO 0.00 1.41 -1.01 -0.07 -2.23 0.00 0.00 178.31 176.41 1r2u h LEU 78 N 0.25 0.61 -2.09 0.59 3.38 -1.07 -3.24 115.31 113.75 1r2u h LEU 78 Ca -0.17 -0.51 0.02 0.00 0.09 0.00 0.00 57.88 57.32 1r2u h LEU 78 Cb 1.87 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.43 1r2u h LEU 78 CO 0.22 1.32 0.07 -0.37 0.09 0.00 0.00 178.44 179.77 1r2u h VAL 79 N 0.25 0.85 -1.10 1.22 -1.51 -1.59 -2.21 116.25 112.16 1r2u h VAL 79 Ca -0.10 0.00 0.30 0.00 -1.23 0.00 0.00 66.70 65.67 1r2u h VAL 79 Cb 1.66 0.95 -0.09 0.00 -2.13 0.00 0.00 31.29 31.69 1r2u h VAL 79 CO 0.18 0.00 0.73 0.24 -1.23 0.00 0.00 177.57 177.49 1r2u h MET 80 N 0.00 0.26 0.27 5.19 2.86 -1.63 0.31 114.93 122.19 1r2u h MET 80 Ca 0.04 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1r2u h MET 80 Cb 0.17 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1r2u h MET 80 CO -0.00 0.17 -0.13 0.52 1.06 0.00 0.00 176.91 178.53 1r2u h MET 81 N 0.27 -0.35 -0.45 1.72 2.86 -1.62 -3.03 114.93 114.32 1r2u h MET 81 Ca 0.61 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 58.27 1r2u h MET 81 Cb 1.79 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 33.51 1r2u h MET 81 CO -0.24 -0.02 0.26 -0.39 1.06 0.00 0.00 176.91 177.58 1r2u h VAL 82 N -0.94 1.13 -0.41 -2.22 -1.51 -1.44 -1.67 116.25 109.20 1r2u h VAL 82 Ca -0.04 -0.31 -0.01 0.00 -1.23 0.00 0.00 66.70 65.12 1r2u h VAL 82 Cb 0.49 0.50 -0.02 0.00 -2.13 0.00 0.00 31.29 30.14 1r2u h VAL 82 CO 0.06 0.14 0.23 0.03 -1.23 0.00 0.00 177.57 176.80 1r2u h ARG 83 N 0.62 0.55 0.00 5.19 2.47 -0.48 -1.04 114.38 121.69 1r2u h ARG 83 Ca 0.16 -0.05 -0.06 0.00 -1.26 0.00 0.00 59.98 58.77 1r2u h ARG 83 Cb -0.01 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.18 1r2u h ARG 83 CO -0.03 0.40 -0.30 0.00 0.56 0.00 0.00 179.97 180.60 1r2u n MET 85 N -3.30 2.60 -3.42 0.00 2.81 -0.40 -4.98 117.12 110.44 1r2u n MET 85 Ca 0.01 -3.13 -0.33 0.00 -1.81 0.00 0.00 57.70 52.44 1r2u n MET 85 Cb 0.55 -2.21 -0.05 0.00 -0.71 0.00 0.00 33.22 30.80 1r2u n MET 85 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1r2u s LYS 86 N -3.57 3.85 -0.22 0.03 -2.85 -1.22 -4.93 119.74 110.84 1r2u s LYS 86 Ca 0.57 0.32 0.17 0.00 -1.00 0.00 0.00 55.97 56.04 1r2u s LYS 86 Cb 0.45 -2.77 0.40 0.00 -2.06 0.00 0.00 37.83 33.86 1r2u s LYS 86 CO -0.16 0.39 1.26 -3.47 0.10 0.00 0.00 175.35 173.47 1r2u n ASP 87 N 0.24 0.10 -3.21 0.03 2.03 -1.26 -5.04 116.55 109.43 1r2u n ASP 87 Ca -0.02 -2.09 -0.06 0.00 0.52 0.00 0.00 54.79 53.15 1r2u n ASP 87 Cb 0.52 0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 1r2u n ASP 87 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1r2u n ASP 88 N -0.71 -7.17 0.00 1.67 2.03 -1.26 -5.21 116.55 105.89 1r2u n ASP 88 Ca -0.06 -0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.00 1r2u n ASP 88 Cb 0.86 -4.53 0.00 0.00 -0.72 0.00 0.00 41.12 36.74 1r2u n ASP 88 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04