#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r2u s ASN 2 N 0.00 2.69 -0.08 7.83 -0.87 -1.26 -4.92 114.94 118.34 1r2u s ASN 2 Ca 0.00 -2.87 0.11 0.00 -1.57 0.00 0.00 52.86 48.53 1r2u s ASN 2 Cb 0.00 -0.71 0.20 0.00 -0.02 0.00 0.00 41.25 40.72 1r2u s ASN 2 CO 0.00 -0.21 1.12 -0.67 -2.57 0.00 0.00 177.10 174.77 1r2u n ASP 3 N 3.16 2.36 0.09 -1.22 -0.08 -1.26 -4.61 116.55 114.99 1r2u n ASP 3 Ca 0.20 -2.62 -0.01 0.00 -1.51 0.00 0.00 54.79 50.84 1r2u n ASP 3 Cb 0.41 -0.27 -0.04 0.00 2.34 0.00 0.00 41.12 43.56 1r2u n ASP 3 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 1r2u h ILE 4 N 0.23 1.03 -0.32 5.18 -2.65 -1.97 -2.23 117.51 116.79 1r2u h ILE 4 Ca 0.00 -2.54 -0.15 0.00 1.03 0.00 0.00 64.86 63.20 1r2u h ILE 4 Cb 0.83 2.47 -0.01 0.00 -2.05 0.00 0.00 36.82 38.07 1r2u h ILE 4 CO 0.02 0.59 -0.39 1.88 0.03 0.00 0.00 178.15 180.28 1r2u h TYR 5 N 0.00 0.92 -0.08 0.16 0.05 -1.93 0.17 116.97 116.26 1r2u h TYR 5 Ca -0.05 -0.27 -0.24 0.00 0.05 0.00 0.00 58.73 58.22 1r2u h TYR 5 Cb 1.57 -0.20 0.01 0.00 1.01 0.00 0.00 36.73 39.12 1r2u h TYR 5 CO 0.00 1.04 -0.87 0.87 -1.05 0.00 0.00 178.16 178.15 1r2u h LYS 6 N 0.63 0.74 0.00 4.88 1.79 -1.86 -1.57 116.57 121.18 1r2u h LYS 6 Ca 0.05 -0.68 -0.06 0.00 -2.18 0.00 0.00 60.65 57.78 1r2u h LYS 6 Cb 0.94 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.75 1r2u h LYS 6 CO 0.09 1.27 -0.29 0.00 -1.08 0.00 0.00 179.45 179.44 1r2u h ALA 7 N 0.48 1.39 0.16 3.86 0.00 -1.30 -2.79 119.26 121.04 1r2u h ALA 7 Ca -0.08 -0.26 -0.29 0.00 0.00 0.00 0.00 54.91 54.27 1r2u h ALA 7 Cb 1.51 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 19.27 1r2u h ALA 7 CO 0.17 0.36 -1.29 0.00 0.00 0.00 0.00 179.25 178.49 1r2u h ALA 8 N 1.71 0.03 -0.22 0.00 0.00 -0.56 -3.22 119.26 117.01 1r2u h ALA 8 Ca -0.00 -0.85 0.05 0.00 0.00 0.00 0.00 54.91 54.11 1r2u h ALA 8 Cb 0.55 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1r2u h ALA 8 CO 0.04 0.85 -0.13 0.28 0.00 0.00 0.00 179.25 180.29 1r2u h VAL 9 N 0.13 0.62 0.00 0.00 2.07 -1.01 0.34 116.25 118.40 1r2u h VAL 9 Ca -0.17 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1r2u h VAL 9 Cb 1.99 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1r2u h VAL 9 CO 0.23 0.00 -0.02 1.05 0.02 0.00 0.00 177.57 178.85 1r2u h GLU 10 N -0.11 0.00 0.11 1.57 4.11 -1.65 -2.85 114.58 115.75 1r2u h GLU 10 Ca 0.12 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.33 1r2u h GLU 10 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1r2u h GLU 10 CO -0.29 0.02 -1.12 1.96 0.07 0.00 0.00 179.01 179.64 1r2u h GLN 11 N 0.00 0.23 0.00 1.06 1.08 -0.94 -3.47 115.11 113.07 1r2u h GLN 11 Ca -0.00 -0.39 -0.39 0.00 -1.45 0.00 0.00 58.65 56.42 1r2u h GLN 11 Cb 0.24 0.14 0.12 0.00 -0.05 0.00 0.00 27.48 27.94 1r2u h GLN 11 CO 0.00 1.19 0.25 1.28 -0.95 0.00 0.00 178.83 180.60 1r2u n LEU 12 N -4.07 0.00 -4.51 1.46 4.77 0.97 -5.11 117.00 110.52 1r2u n LEU 12 Ca -0.21 -1.53 -0.24 0.00 -0.03 0.00 0.00 56.01 54.00 1r2u n LEU 12 Cb 0.83 -0.75 -0.11 0.00 -2.33 0.00 0.00 43.42 41.07 1r2u n LEU 12 CO 0.41 -1.15 -0.35 0.42 -1.33 0.00 0.00 177.39 175.39 1r2u s THR 13 N -3.16 1.89 0.43 -5.08 -4.23 -1.26 -4.87 115.64 99.37 1r2u s THR 13 Ca 0.62 -2.13 0.11 0.00 -1.18 0.00 0.00 61.69 59.11 1r2u s THR 13 Cb -0.02 -2.65 0.23 0.00 1.34 0.00 0.00 72.50 71.40 1r2u s THR 13 CO 0.43 -0.19 2.03 0.44 -0.54 0.00 0.00 174.62 176.79 1r2u h ASP 14 N 2.08 0.24 -0.99 3.99 3.32 -2.00 -2.08 116.42 120.99 1r2u h ASP 14 Ca -0.41 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 56.64 1r2u h ASP 14 Cb 1.24 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 40.68 1r2u h ASP 14 CO 0.71 0.26 0.65 -0.33 -1.72 0.00 0.00 179.24 178.81 1r2u h GLU 15 N 0.27 1.24 -0.26 3.56 5.08 -1.98 0.13 114.58 122.63 1r2u h GLU 15 Ca 0.07 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1r2u h GLU 15 Cb 0.12 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1r2u h GLU 15 CO -0.00 0.82 0.14 1.96 -1.00 0.00 0.00 179.01 180.93 1r2u h GLN 16 N 1.28 0.28 0.00 2.33 1.08 -1.78 0.12 115.11 118.41 1r2u h GLN 16 Ca 0.39 -0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.48 1r2u h GLN 16 Cb -0.04 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 1r2u h GLN 16 CO -0.11 0.18 -0.43 0.87 -0.95 0.00 0.00 178.83 178.39 1r2u h LYS 17 N 0.28 0.00 -0.30 1.46 6.56 -1.44 -1.05 116.57 122.08 1r2u h LYS 17 Ca 0.10 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.65 1r2u h LYS 17 Cb 0.02 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.67 1r2u h LYS 17 CO -0.06 0.43 0.02 -0.97 -2.06 0.00 0.00 179.45 176.80 1r2u h ASN 18 N 0.00 0.50 -0.49 0.86 -0.73 0.15 0.21 115.58 116.08 1r2u h ASN 18 Ca -0.00 -0.29 -0.06 0.00 1.87 0.00 0.00 56.30 57.81 1r2u h ASN 18 Cb 0.78 -0.13 -0.02 0.00 0.27 0.00 0.00 38.32 39.21 1r2u h ASN 18 CO 0.06 0.67 0.08 -0.33 -0.37 0.00 0.00 177.43 177.54 1r2u h GLU 19 N 0.32 0.81 -0.92 6.67 5.08 -0.61 -1.05 114.58 124.88 1r2u h GLU 19 Ca 0.09 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1r2u h GLU 19 Cb 0.40 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1r2u h GLU 19 CO 0.01 0.81 0.57 0.74 -1.00 0.00 0.00 179.01 180.14 1r2u h PHE 20 N 0.69 1.19 -0.53 4.33 -1.00 -1.02 0.28 116.94 120.88 1r2u h PHE 20 Ca 0.15 0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.87 1r2u h PHE 20 Cb 0.39 -0.39 -0.02 0.00 3.61 0.00 0.00 35.95 39.54 1r2u h PHE 20 CO 0.03 0.78 0.07 -0.22 -1.61 0.00 0.00 178.31 177.36 1r2u h LYS 21 N 1.26 0.89 -0.33 1.51 1.63 -0.27 -0.28 116.57 120.98 1r2u h LYS 21 Ca 0.33 -0.25 -0.06 0.00 -0.85 0.00 0.00 60.65 59.82 1r2u h LYS 21 Cb -0.08 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.44 1r2u h LYS 21 CO -0.06 0.88 -0.03 0.00 -3.45 0.00 0.00 179.45 176.79 1r2u h ALA 22 N 0.98 0.45 0.00 5.00 0.00 -0.68 0.25 119.26 125.25 1r2u h ALA 22 Ca 0.16 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1r2u h ALA 22 Cb 0.43 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1r2u h ALA 22 CO 0.01 0.23 -0.07 0.00 0.00 0.00 0.00 179.25 179.42 1r2u h ALA 23 N 0.83 1.44 0.00 0.00 0.00 -0.29 -1.53 119.26 119.71 1r2u h ALA 23 Ca 0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1r2u h ALA 23 Cb 0.49 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1r2u h ALA 23 CO 0.02 0.09 -0.28 0.35 0.00 0.00 0.00 179.25 179.43 1r2u h PHE 24 N 0.00 0.00 -0.87 0.00 3.04 -0.58 -3.36 116.94 115.17 1r2u h PHE 24 Ca -0.00 0.00 0.16 0.00 3.98 0.00 0.00 57.97 62.11 1r2u h PHE 24 Cb 0.19 0.00 -0.10 0.00 2.56 0.00 0.00 35.95 38.60 1r2u h PHE 24 CO 0.00 0.46 0.45 0.22 -2.02 0.00 0.00 178.31 177.43 1r2u h ASP 25 N -1.00 0.54 -0.82 0.41 3.58 -0.40 0.07 116.42 118.80 1r2u h ASP 25 Ca -0.05 0.10 0.13 0.00 0.42 0.00 0.00 57.03 57.62 1r2u h ASP 25 Cb 0.54 0.01 -0.06 0.00 1.72 0.00 0.00 39.33 41.55 1r2u h ASP 25 CO -0.03 0.21 0.54 0.16 -2.88 0.00 0.00 179.24 177.23 1r2u h ILE 26 N 0.62 0.87 0.00 2.25 3.07 -1.45 -0.84 117.51 122.03 1r2u h ILE 26 Ca 0.48 -0.22 -0.24 0.00 1.55 0.00 0.00 64.86 66.44 1r2u h ILE 26 Cb 0.72 0.17 -0.04 0.00 -0.27 0.00 0.00 36.82 37.40 1r2u h ILE 26 CO -0.38 0.12 -1.30 -0.26 -1.05 0.00 0.00 178.15 175.28 1r2u h PHE 27 N 0.64 0.00 -0.62 0.16 -1.00 -1.26 -3.32 116.94 111.53 1r2u h PHE 27 Ca 0.40 0.00 -0.41 0.00 2.81 0.00 0.00 57.97 60.76 1r2u h PHE 27 Cb 0.64 0.00 -0.18 0.00 3.61 0.00 0.00 35.95 40.02 1r2u h PHE 27 CO -0.00 0.96 0.54 -0.89 -1.61 0.00 0.00 178.31 177.30 1r2u n ILE 28 N -3.19 2.97 0.09 -0.55 2.08 -0.15 -4.35 119.36 116.25 1r2u n ILE 28 Ca -0.08 -1.94 -0.05 0.00 0.56 0.00 0.00 62.75 61.24 1r2u n ILE 28 Cb 0.97 -1.24 -0.02 0.00 -0.75 0.00 0.00 39.64 38.61 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 1.54 0.01 -0.07 0.38 3.07 -1.56 -3.37 115.11 115.11 1r2u h GLN 29 Ca 0.38 -0.01 -0.17 0.00 0.09 0.00 0.00 58.65 58.94 1r2u h GLN 29 Cb 0.99 0.00 -0.29 0.00 0.08 0.00 0.00 27.48 28.26 1r2u h GLN 29 CO 0.97 0.87 -0.75 -0.40 0.09 0.00 0.00 178.83 179.61 1r2u n ASP 30 N -3.52 0.24 -4.75 0.06 5.75 -1.26 -5.13 116.55 107.95 1r2u n ASP 30 Ca -0.01 -2.03 -0.35 0.00 -0.01 0.00 0.00 54.79 52.40 1r2u n ASP 30 Cb 0.82 -0.05 0.06 0.00 -1.03 0.00 0.00 41.12 40.92 1r2u n ASP 30 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1r2u s ALA 31 N -0.56 2.38 -0.06 2.12 0.00 -1.26 -4.97 121.76 119.40 1r2u s ALA 31 Ca 0.20 0.86 -0.25 0.00 0.00 0.00 0.00 51.96 52.77 1r2u s ALA 31 Cb 0.27 -3.43 -0.23 0.00 0.00 0.00 0.00 23.12 19.73 1r2u s ALA 31 CO -0.10 -1.44 1.03 0.93 0.00 0.00 0.00 175.76 176.19 1r2u h GLU 32 N 0.29 0.13 0.00 0.00 5.08 -1.98 -3.38 114.58 114.73 1r2u h GLU 32 Ca -0.49 -0.14 -0.36 0.00 -1.00 0.00 0.00 59.36 57.37 1r2u h GLU 32 Cb 1.29 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.51 1r2u h GLU 32 CO 0.53 0.88 -2.30 -3.47 -1.00 0.00 0.00 179.01 173.64 1r2u n ASP 33 N -4.56 0.26 0.00 1.42 2.03 -1.26 -5.01 116.55 109.42 1r2u n ASP 33 Ca -0.10 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.26 1r2u n ASP 33 Cb 0.47 0.76 0.00 0.00 -0.72 0.00 0.00 41.12 41.62 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 1.76 1.21 3.27 0.27 0.00 -1.26 -5.14 105.19 105.30 1r2u n GLY 34 Ca -0.32 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 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 -4.09 2.54 0.20 0.00 -5.25 -0.62 -4.81 121.20 109.17 1r2u s ILE 36 Ca 0.36 -1.05 -0.04 0.00 -0.99 0.00 0.00 60.65 58.93 1r2u s ILE 36 Cb 0.05 -2.58 -0.05 0.00 2.95 0.00 0.00 42.46 42.83 1r2u s ILE 36 CO 0.12 0.00 0.44 -0.55 -1.79 0.00 0.00 174.94 173.17 1r2u s SER 37 N -4.47 6.47 0.14 4.36 0.15 -1.26 0.27 113.70 119.36 1r2u s SER 37 Ca 0.57 0.61 -0.17 0.00 0.70 0.00 0.00 55.95 57.65 1r2u s SER 37 Cb -0.07 -2.10 -0.01 0.00 -1.71 0.00 0.00 66.02 62.13 1r2u s SER 37 CO 0.35 -0.05 1.79 0.71 1.20 0.00 0.00 173.24 177.23 1r2u h THR 38 N 1.73 1.10 0.00 6.45 1.35 -1.92 -1.55 112.91 120.07 1r2u h THR 38 Ca -0.47 -0.22 -0.00 0.00 -0.55 0.00 0.00 66.41 65.17 1r2u h THR 38 Cb 1.18 0.63 -0.00 0.00 -1.73 0.00 0.00 68.15 68.23 1r2u h THR 38 CO 0.69 0.10 -0.02 0.11 -0.25 0.00 0.00 175.52 176.15 1r2u h LYS 39 N 0.46 0.00 0.00 4.72 6.56 -1.95 -2.44 116.57 123.92 1r2u h LYS 39 Ca 0.12 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.71 1r2u h LYS 39 Cb -0.02 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.64 1r2u h LYS 39 CO -0.03 0.02 0.00 0.39 -2.06 0.00 0.00 179.45 177.77 1r2u n GLU 40 N -3.13 0.53 -0.28 3.15 -0.58 -0.60 -3.68 120.64 116.06 1r2u n GLU 40 Ca 0.00 0.01 -0.05 0.00 -0.42 0.00 0.00 57.16 56.70 1r2u n GLU 40 Cb 0.30 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 29.73 1r2u n GLU 40 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1r2u h LEU 41 N 0.00 0.96 -1.73 -4.62 7.12 -1.28 -1.03 115.31 114.72 1r2u h LEU 41 Ca 0.00 -0.09 0.00 0.00 0.13 0.00 0.00 57.88 57.92 1r2u h LEU 41 Cb 0.22 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 40.11 1r2u h LEU 41 CO 0.00 0.77 0.00 1.23 -0.13 0.00 0.00 178.44 180.31 1r2u h GLY 42 N 1.07 0.00 1.12 3.75 0.00 -1.80 -2.56 103.07 104.65 1r2u h GLY 42 Ca 0.27 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.29 1r2u h GLY 42 CO -0.05 0.00 -1.62 0.50 0.00 0.00 0.00 176.54 175.38 1r2u h LYS 43 N 0.00 0.22 -0.09 4.80 1.79 -1.43 -3.32 116.57 118.54 1r2u h LYS 43 Ca 0.00 -0.38 -0.12 0.00 -2.18 0.00 0.00 60.65 57.97 1r2u h LYS 43 Cb 0.25 0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.03 1r2u h LYS 43 CO 0.00 1.06 -0.49 -0.39 -1.08 0.00 0.00 179.45 178.54 1r2u h VAL 44 N 0.06 1.34 -0.36 0.50 -1.51 -1.01 -2.90 116.25 112.38 1r2u h VAL 44 Ca -0.27 -1.73 -0.02 0.00 -1.23 0.00 0.00 66.70 63.45 1r2u h VAL 44 Cb 2.02 1.82 -0.02 0.00 -2.13 0.00 0.00 31.29 32.98 1r2u h VAL 44 CO 0.14 0.51 0.11 0.24 -1.23 0.00 0.00 177.57 177.35 1r2u h MET 45 N 0.19 0.51 -0.99 5.19 2.86 -1.61 0.79 114.93 121.87 1r2u h MET 45 Ca 0.01 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1r2u h MET 45 Cb 0.94 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.46 1r2u h MET 45 CO 0.08 0.45 0.65 0.00 1.06 0.00 0.00 176.91 179.14 1r2u h ARG 46 N 0.51 1.32 0.16 1.72 3.08 -1.51 0.38 114.38 120.03 1r2u h ARG 46 Ca 0.12 -0.09 -0.31 0.00 0.07 0.00 0.00 59.98 59.78 1r2u h ARG 46 Cb 0.15 -0.29 0.01 0.00 0.08 0.00 0.00 29.97 29.92 1r2u h ARG 46 CO -0.01 0.89 -1.46 0.52 -1.07 0.00 0.00 179.97 178.84 1r2u h MET 47 N 1.35 0.33 0.42 0.04 2.86 -1.48 -3.37 114.93 115.08 1r2u h MET 47 Ca 0.36 -0.56 -0.02 0.00 -2.06 0.00 0.00 59.70 57.42 1r2u h MET 47 Cb -0.13 0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1r2u h MET 47 CO -0.08 1.23 -0.20 -0.07 1.06 0.00 0.00 176.91 178.85 1r2u h LEU 48 N 0.09 -0.48 0.00 1.22 3.38 -0.63 -3.48 115.31 115.41 1r2u h LEU 48 Ca -0.22 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1r2u h LEU 48 Cb 2.04 0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.92 1r2u h LEU 48 CO 0.20 -0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.20 1r2u n GLY 49 N -0.53 -0.09 3.50 0.83 0.00 0.62 -5.08 105.19 104.44 1r2u n GLY 49 Ca -0.10 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 1.35 -0.46 1.61 -0.21 0.10 -5.02 119.66 117.02 1r2u s GLN 50 Ca 0.00 -0.83 0.06 0.00 0.02 0.00 0.00 55.36 54.62 1r2u s GLN 50 Cb 0.00 0.52 0.21 0.00 1.00 0.00 0.00 33.01 34.74 1r2u s GLN 50 CO 0.00 -0.57 0.64 -1.71 -2.12 0.00 0.00 175.29 171.52 1r2u n ASN 51 N -0.33 -1.93 -2.05 5.90 2.85 -1.26 -3.36 115.26 115.07 1r2u n ASN 51 Ca -0.11 -2.84 0.00 0.00 -0.11 0.00 0.00 54.58 51.52 1r2u n ASN 51 Cb 0.63 0.77 0.00 0.00 1.24 0.00 0.00 39.78 42.42 1r2u n ASN 51 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1r2u n PRO 52 N 2.31 0.30 -3.63 1.20 -0.04 -1.26 -5.11 135.00 128.76 1r2u n PRO 52 Ca 0.19 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.45 1r2u n PRO 52 Cb 0.55 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.98 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 -0.55 3.20 0.26 0.52 -4.23 -1.26 -4.97 115.64 108.61 1r2u s THR 53 Ca 0.00 -1.30 0.18 0.00 -1.18 0.00 0.00 61.69 59.38 1r2u s THR 53 Cb 0.00 -3.12 0.13 0.00 1.34 0.00 0.00 72.50 70.86 1r2u s THR 53 CO 0.00 -0.09 1.79 1.55 -0.54 0.00 0.00 174.62 177.33 1r2u h PRO 54 N 1.09 0.00 0.06 3.99 0.13 -1.99 -1.76 132.00 133.52 1r2u h PRO 54 Ca -0.43 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.43 1r2u h PRO 54 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1r2u h PRO 54 CO 0.56 0.36 -1.34 1.05 -0.23 0.00 0.00 178.00 178.40 1r2u h GLU 55 N 0.00 0.12 0.24 0.86 4.11 -1.99 -3.07 114.58 114.86 1r2u h GLU 55 Ca -0.00 -0.21 -0.01 0.00 0.07 0.00 0.00 59.36 59.20 1r2u h GLU 55 Cb 0.78 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1r2u h GLU 55 CO 0.05 0.98 -0.12 0.93 0.07 0.00 0.00 179.01 180.92 1r2u h GLU 56 N 0.03 -0.32 -0.91 1.06 5.08 -1.93 -2.94 114.58 114.66 1r2u h GLU 56 Ca -0.16 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1r2u h GLU 56 Cb 1.93 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 31.19 1r2u h GLU 56 CO 0.14 0.04 0.59 1.37 -1.00 0.00 0.00 179.01 180.15 1r2u h LEU 57 N -0.89 0.90 -0.55 1.33 8.10 -1.49 -2.09 115.31 120.62 1r2u h LEU 57 Ca -0.03 0.01 0.04 0.00 0.11 0.00 0.00 57.88 58.01 1r2u h LEU 57 Cb 0.50 -0.19 -0.04 0.00 -0.44 0.00 0.00 40.66 40.49 1r2u h LEU 57 CO 0.05 0.58 0.29 -0.61 -4.11 0.00 0.00 178.44 174.64 1r2u h GLN 58 N 1.02 0.55 -0.69 0.17 5.75 -1.59 -0.72 115.11 119.60 1r2u h GLN 58 Ca 0.39 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.85 1r2u h GLN 58 Cb 0.21 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 1r2u h GLN 58 CO -0.15 0.36 0.38 0.93 -2.65 0.00 0.00 178.83 177.71 1r2u h GLU 59 N 0.56 0.95 -0.48 1.69 5.08 -1.20 -2.23 114.58 118.96 1r2u h GLU 59 Ca 0.24 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1r2u h GLU 59 Cb 0.12 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1r2u h GLU 59 CO -0.15 0.71 0.22 0.52 -1.00 0.00 0.00 179.01 179.31 1r2u h MET 60 N 0.94 0.70 0.06 2.33 2.86 -1.04 -1.61 114.93 119.16 1r2u h MET 60 Ca 0.24 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1r2u h MET 60 Cb 0.03 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 1r2u h MET 60 CO -0.04 0.60 -0.04 0.82 1.06 0.00 0.00 176.91 179.31 1r2u h ILE 61 N 0.63 0.00 -1.08 -1.22 2.04 -0.87 -1.56 117.51 115.45 1r2u h ILE 61 Ca 0.16 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.31 1r2u h ILE 61 Cb 0.14 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.13 1r2u h ILE 61 CO -0.02 0.00 0.70 0.44 0.00 0.00 0.00 178.15 179.27 1r2u h ASP 62 N -0.09 0.39 0.09 1.72 5.19 -1.47 0.34 116.42 122.60 1r2u h ASP 62 Ca -0.01 0.09 -0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1r2u h ASP 62 Cb 0.07 0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.61 1r2u h ASP 62 CO 0.00 0.05 -0.04 -0.33 -3.12 0.00 0.00 179.24 175.80 1r2u h GLU 63 N 0.33 -0.12 0.00 3.56 5.08 -1.04 -2.89 114.58 119.50 1r2u h GLU 63 Ca 0.62 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.98 1r2u h GLU 63 Cb 1.68 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.95 1r2u h GLU 63 CO -0.29 -0.03 -0.03 -0.39 -1.00 0.00 0.00 179.01 177.27 1r2u h VAL 64 N -0.18 0.05 -0.60 3.13 -1.51 -0.03 -3.42 116.25 113.69 1r2u h VAL 64 Ca -0.01 -0.97 -0.21 0.00 -1.23 0.00 0.00 66.70 64.28 1r2u h VAL 64 Cb 0.14 1.92 -0.03 0.00 -2.13 0.00 0.00 31.29 31.19 1r2u h VAL 64 CO 0.02 0.03 0.52 -0.62 -1.23 0.00 0.00 177.57 176.29 1r2u s ASP 65 N -6.12 4.76 0.16 4.19 -1.08 0.10 -4.72 116.67 113.97 1r2u s ASP 65 Ca 0.06 -0.47 -0.10 0.00 -0.52 0.00 0.00 52.55 51.52 1r2u s ASP 65 Cb 0.06 -2.56 0.02 0.00 -1.46 0.00 0.00 42.92 38.98 1r2u s ASP 65 CO 0.65 -3.09 1.57 -0.33 0.52 0.00 0.00 175.17 174.49 1r2u h GLU 66 N 11.69 1.02 0.20 4.34 5.08 -1.84 -3.26 114.58 131.81 1r2u h GLU 66 Ca 0.07 -0.41 -0.29 0.00 -1.00 0.00 0.00 59.36 57.73 1r2u h GLU 66 Cb 1.00 -0.05 0.03 0.00 0.50 0.00 0.00 28.75 30.23 1r2u h GLU 66 CO 1.15 1.09 -1.34 0.38 -1.00 0.00 0.00 179.01 179.29 1r2u h ASP 67 N 0.88 0.68 -3.19 1.42 2.03 -1.97 -3.49 116.42 112.78 1r2u h ASP 67 Ca 0.13 -0.93 -0.09 0.00 -0.73 0.00 0.00 57.03 55.41 1r2u h ASP 67 Cb 0.74 -0.22 0.05 0.00 -0.83 0.00 0.00 39.33 39.07 1r2u h ASP 67 CO 0.06 1.63 -0.22 0.61 -1.03 0.00 0.00 179.24 180.29 1r2u n GLY 68 N 1.73 0.24 0.12 7.15 0.00 -1.23 -5.00 105.19 108.20 1r2u n GLY 68 Ca -0.18 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 1r2u n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r2u n SER 69 N -1.70 1.94 0.00 1.61 3.41 -1.26 -5.03 113.62 112.60 1r2u n SER 69 Ca -0.07 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 1r2u n SER 69 Cb 0.54 -0.86 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1r2u n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r2u n GLY 70 N 1.54 1.19 3.82 5.00 0.00 -1.26 -5.13 105.19 110.35 1r2u n GLY 70 Ca -0.40 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 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 4.75 -0.28 2.61 -4.23 -1.26 -3.36 115.64 113.86 1r2u s THR 71 Ca 0.00 -0.73 -0.10 0.00 -1.18 0.00 0.00 61.69 59.68 1r2u s THR 71 Cb 0.00 -3.32 -0.04 0.00 1.34 0.00 0.00 72.50 70.48 1r2u s THR 71 CO 0.00 0.08 0.15 -0.69 -0.54 0.00 0.00 174.62 173.63 1r2u s VAL 72 N -1.48 4.96 0.85 2.29 1.01 0.14 -4.88 120.40 123.28 1r2u s VAL 72 Ca 0.31 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 62.19 1r2u s VAL 72 Cb -0.12 -3.38 0.19 0.00 0.00 0.00 0.00 36.38 33.07 1r2u s VAL 72 CO 0.24 0.25 1.16 0.47 0.00 0.00 0.00 175.10 177.21 1r2u n ASP 73 N 5.02 0.56 0.13 3.32 9.92 -1.26 -1.59 116.55 132.65 1r2u n ASP 73 Ca -0.15 -1.71 -0.01 0.00 -0.53 0.00 0.00 54.79 52.39 1r2u n ASP 73 Cb 0.51 -0.84 0.21 0.00 -0.64 0.00 0.00 41.12 40.36 1r2u n ASP 73 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1r2u h PHE 74 N -1.30 0.09 -0.51 1.24 3.57 -1.98 0.13 116.94 118.19 1r2u h PHE 74 Ca -0.38 -0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.00 1r2u h PHE 74 Cb 1.15 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.86 1r2u h PHE 74 CO 0.00 0.59 -0.05 -0.44 -2.23 0.00 0.00 178.31 176.18 1r2u h ASP 75 N 0.06 0.89 1.10 0.41 3.32 -1.99 0.15 116.42 120.35 1r2u h ASP 75 Ca -0.00 -0.25 -0.16 0.00 0.02 0.00 0.00 57.03 56.63 1r2u h ASP 75 Cb 0.96 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 1r2u h ASP 75 CO 0.07 0.98 -0.77 -0.33 -1.72 0.00 0.00 179.24 177.47 1r2u h GLU 76 N 0.82 0.00 -0.14 3.56 5.08 -1.79 -2.29 114.58 119.83 1r2u h GLU 76 Ca 0.14 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.31 1r2u h GLU 76 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1r2u h GLU 76 CO 0.03 0.77 -0.70 0.35 -1.00 0.00 0.00 179.01 178.46 1r2u h PHE 77 N 0.00 0.82 0.10 4.33 3.57 -0.31 -3.06 116.94 122.39 1r2u h PHE 77 Ca -0.01 -0.34 -0.21 0.00 3.53 0.00 0.00 57.97 60.93 1r2u h PHE 77 Cb 1.53 -0.13 0.02 0.00 2.79 0.00 0.00 35.95 40.15 1r2u h PHE 77 CO 0.00 1.13 -0.90 -0.07 -2.23 0.00 0.00 178.31 176.24 1r2u h LEU 78 N 0.43 0.62 -2.23 0.59 3.38 -0.76 -3.29 115.31 114.07 1r2u h LEU 78 Ca -0.03 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.09 1r2u h LEU 78 Cb 1.30 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1r2u h LEU 78 CO 0.14 1.42 0.00 -0.37 0.09 0.00 0.00 178.44 179.72 1r2u h VAL 79 N -0.08 0.77 -1.20 1.22 -1.51 -1.50 -2.55 116.25 111.40 1r2u h VAL 79 Ca -0.14 0.00 0.35 0.00 -1.23 0.00 0.00 66.70 65.68 1r2u h VAL 79 Cb 1.64 1.00 -0.09 0.00 -2.13 0.00 0.00 31.29 31.71 1r2u h VAL 79 CO 0.17 0.00 0.80 0.24 -1.23 0.00 0.00 177.57 177.56 1r2u h MET 80 N 0.00 0.19 0.11 5.19 2.86 -1.60 0.93 114.93 122.62 1r2u h MET 80 Ca 0.00 -0.01 -0.16 0.00 -2.06 0.00 0.00 59.70 57.47 1r2u h MET 80 Cb 0.01 -0.04 0.02 0.00 0.06 0.00 0.00 31.60 31.64 1r2u h MET 80 CO -0.00 0.12 -0.74 0.52 1.06 0.00 0.00 176.91 177.87 1r2u h MET 81 N 0.19 0.24 0.00 1.72 2.07 -1.68 -3.36 114.93 114.11 1r2u h MET 81 Ca 0.66 -0.41 -0.10 0.00 -2.07 0.00 0.00 59.70 57.78 1r2u h MET 81 Cb 2.10 0.15 -0.01 0.00 -1.87 0.00 0.00 31.60 31.97 1r2u h MET 81 CO -0.24 1.20 -0.49 -0.39 1.07 0.00 0.00 176.91 178.06 1r2u h VAL 82 N -0.48 0.94 0.00 -2.22 -1.51 -1.22 -3.21 116.25 108.54 1r2u h VAL 82 Ca -0.14 -2.03 -0.01 0.00 -1.23 0.00 0.00 66.70 63.29 1r2u h VAL 82 Cb 1.55 2.26 -0.00 0.00 -2.13 0.00 0.00 31.29 32.96 1r2u h VAL 82 CO 0.11 0.48 -0.05 0.08 -1.23 0.00 0.00 177.57 176.96 1r2u h ARG 83 N 0.00 0.00 0.00 5.19 0.11 0.68 -1.32 114.38 119.03 1r2u h ARG 83 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1r2u h ARG 83 Cb 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 1r2u h ARG 83 CO 0.06 0.05 0.00 0.00 0.10 0.00 0.00 179.97 180.18 1r2u h MET 85 N 0.00 0.00 -7.06 0.00 -0.00 -1.44 -3.44 114.93 102.99 1r2u h MET 85 Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 59.70 59.19 1r2u h MET 85 Cb 0.45 0.00 0.08 0.00 -0.00 0.00 0.00 31.60 32.13 1r2u h MET 85 CO 0.00 0.32 0.47 0.21 -0.00 0.00 0.00 176.91 177.91 1r2u s LYS 86 N -3.99 3.42 -0.31 -0.10 2.20 -1.05 -4.97 119.74 114.95 1r2u s LYS 86 Ca -0.02 1.75 0.07 0.00 -0.36 0.00 0.00 55.97 57.41 1r2u s LYS 86 Cb 0.13 -2.15 0.46 0.00 -1.51 0.00 0.00 37.83 34.76 1r2u s LYS 86 CO 0.68 -0.83 1.25 -0.40 -0.36 0.00 0.00 175.35 175.69 1r2u n ASP 87 N -1.05 4.73 -3.66 1.43 5.75 -1.26 -4.93 116.55 117.56 1r2u n ASP 87 Ca 0.10 -3.77 -0.24 0.00 -0.01 0.00 0.00 54.79 50.87 1r2u n ASP 87 Cb 0.49 -0.40 0.06 0.00 -1.03 0.00 0.00 41.12 40.24 1r2u n ASP 87 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1r2u n ASP 88 N -0.77 -4.68 0.00 -1.12 2.03 -1.26 -5.29 116.55 105.46 1r2u n ASP 88 Ca 0.43 -0.64 0.00 0.00 0.52 0.00 0.00 54.79 55.09 1r2u n ASP 88 Cb 0.93 -4.66 0.00 0.00 -0.72 0.00 0.00 41.12 36.67 1r2u n ASP 88 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04