#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 -0.33 0.00 6.12 -0.87 -1.26 -4.82 114.94 113.78 1r2u s ASN 2 Ca 0.00 0.26 0.02 0.00 -1.57 0.00 0.00 52.86 51.57 1r2u s ASN 2 Cb 0.00 0.38 0.03 0.00 -0.02 0.00 0.00 41.25 41.64 1r2u s ASN 2 CO 0.00 -0.51 0.77 -0.67 -2.57 0.00 0.00 177.10 174.12 1r2u n ASP 3 N 1.12 1.58 0.19 -1.22 2.03 -1.26 -4.62 116.55 114.37 1r2u n ASP 3 Ca -0.21 -1.49 0.05 0.00 0.52 0.00 0.00 54.79 53.66 1r2u n ASP 3 Cb 0.56 -0.01 0.34 0.00 -0.72 0.00 0.00 41.12 41.29 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 0.29 0.97 -0.25 5.18 -2.65 -1.96 -2.10 117.51 116.99 1r2u h ILE 4 Ca 0.00 -1.51 -0.15 0.00 1.03 0.00 0.00 64.86 64.23 1r2u h ILE 4 Cb 0.28 1.90 -0.01 0.00 -2.05 0.00 0.00 36.82 36.94 1r2u h ILE 4 CO 0.00 0.38 -0.46 1.88 0.03 0.00 0.00 178.15 179.98 1r2u h TYR 5 N 0.00 0.78 -0.23 0.16 0.05 -1.95 0.24 116.97 116.02 1r2u h TYR 5 Ca -0.00 -0.25 -0.15 0.00 0.05 0.00 0.00 58.73 58.38 1r2u h TYR 5 Cb 0.86 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 38.45 1r2u h TYR 5 CO 0.00 0.98 -0.46 0.87 -1.05 0.00 0.00 178.16 178.50 1r2u h LYS 6 N 0.51 0.71 -0.17 4.88 1.79 -1.81 -1.44 116.57 121.05 1r2u h LYS 6 Ca 0.03 -0.46 -0.09 0.00 -2.18 0.00 0.00 60.65 57.95 1r2u h LYS 6 Cb 0.99 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.69 1r2u h LYS 6 CO 0.09 1.09 -0.30 0.00 -1.08 0.00 0.00 179.45 179.25 1r2u h ALA 7 N 0.62 1.18 -0.00 3.86 0.00 -1.32 -2.73 119.26 120.86 1r2u h ALA 7 Ca 0.01 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.42 1r2u h ALA 7 Cb 1.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1r2u h ALA 7 CO 0.10 0.53 -0.70 0.00 0.00 0.00 0.00 179.25 179.18 1r2u h ALA 8 N 1.40 0.84 -0.44 0.00 0.00 -0.84 -3.26 119.26 116.97 1r2u h ALA 8 Ca 0.04 -0.64 0.09 0.00 0.00 0.00 0.00 54.91 54.40 1r2u h ALA 8 Cb 0.67 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 1r2u h ALA 8 CO 0.05 0.87 -0.04 0.28 0.00 0.00 0.00 179.25 180.41 1r2u h VAL 9 N 0.01 0.62 0.00 0.00 2.07 -0.93 0.21 116.25 118.22 1r2u h VAL 9 Ca -0.01 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1r2u h VAL 9 Cb 1.24 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1r2u h VAL 9 CO 0.09 0.01 0.00 -0.33 0.02 0.00 0.00 177.57 177.36 1r2u h GLU 10 N 0.06 0.00 0.00 1.57 5.08 -1.63 -2.88 114.58 116.78 1r2u h GLU 10 Ca 0.22 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.43 1r2u h GLU 10 Cb 0.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1r2u h GLU 10 CO -0.40 0.00 -1.34 1.96 -1.00 0.00 0.00 179.01 178.23 1r2u h GLN 11 N 0.00 0.00 -6.10 2.33 1.08 -0.78 -3.47 115.11 108.17 1r2u h GLN 11 Ca 0.00 0.00 -0.71 0.00 -1.45 0.00 0.00 58.65 56.49 1r2u h GLN 11 Cb 0.44 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 1r2u h GLN 11 CO 0.00 0.25 1.13 1.28 -0.95 0.00 0.00 178.83 180.54 1r2u n LEU 12 N -2.87 2.32 -4.57 1.46 4.77 0.42 -4.94 117.00 113.59 1r2u n LEU 12 Ca -0.08 0.82 -0.24 0.00 -0.03 0.00 0.00 56.01 56.47 1r2u n LEU 12 Cb 0.80 -1.19 -0.09 0.00 -2.33 0.00 0.00 43.42 40.61 1r2u n LEU 12 CO 0.42 -0.50 -0.38 0.42 -1.33 0.00 0.00 177.39 176.02 1r2u s THR 13 N 5.04 2.75 0.40 -5.08 -4.23 -1.26 -5.03 115.64 108.23 1r2u s THR 13 Ca 1.03 -2.14 0.09 0.00 -1.18 0.00 0.00 61.69 59.50 1r2u s THR 13 Cb -0.99 -2.62 0.19 0.00 1.34 0.00 0.00 72.50 70.43 1r2u s THR 13 CO 0.59 -0.32 1.97 -0.78 -0.54 0.00 0.00 174.62 175.54 1r2u h ASP 14 N 2.01 0.27 0.11 3.99 3.58 -1.97 -1.36 116.42 123.06 1r2u h ASP 14 Ca -0.42 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 56.98 1r2u h ASP 14 Cb 1.25 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.23 1r2u h ASP 14 CO 0.63 0.35 -0.05 -0.33 -2.88 0.00 0.00 179.24 176.95 1r2u h GLU 15 N 0.29 -0.15 -0.38 0.28 5.08 -1.98 0.24 114.58 117.96 1r2u h GLU 15 Ca 0.07 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1r2u h GLU 15 Cb 0.24 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1r2u h GLU 15 CO 0.01 0.10 0.14 1.96 -1.00 0.00 0.00 179.01 180.22 1r2u h GLN 16 N -0.38 0.57 0.00 2.33 4.20 -1.92 -2.16 115.11 117.74 1r2u h GLN 16 Ca -0.02 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.55 1r2u h GLN 16 Cb 0.31 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1r2u h GLN 16 CO 0.03 0.56 -0.18 0.87 -0.67 0.00 0.00 178.83 179.43 1r2u h LYS 17 N 0.46 0.00 -0.15 1.46 6.56 -1.24 -1.24 116.57 122.42 1r2u h LYS 17 Ca 0.12 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.63 1r2u h LYS 17 Cb 0.21 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.87 1r2u h LYS 17 CO -0.01 0.18 -0.22 -0.97 -2.06 0.00 0.00 179.45 176.37 1r2u h ASN 18 N 0.00 0.45 -0.44 0.86 -1.24 -0.05 0.31 115.58 115.47 1r2u h ASN 18 Ca -0.00 -0.53 -0.06 0.00 0.71 0.00 0.00 56.30 56.42 1r2u h ASN 18 Cb 0.59 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.49 1r2u h ASN 18 CO 0.02 0.89 0.03 -0.33 -1.29 0.00 0.00 177.43 176.75 1r2u h GLU 19 N 0.03 0.75 -0.49 6.67 4.39 -1.22 0.13 114.58 124.84 1r2u h GLU 19 Ca 0.01 -0.22 -0.07 0.00 0.34 0.00 0.00 59.36 59.42 1r2u h GLU 19 Cb 0.79 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 1r2u h GLU 19 CO 0.05 0.80 0.04 0.74 -1.16 0.00 0.00 179.01 179.49 1r2u h PHE 20 N 0.60 0.90 -0.52 4.33 -1.00 -1.22 0.20 116.94 120.23 1r2u h PHE 20 Ca 0.13 -0.14 -0.10 0.00 2.81 0.00 0.00 57.97 60.66 1r2u h PHE 20 Cb 0.45 -0.24 -0.02 0.00 3.61 0.00 0.00 35.95 39.75 1r2u h PHE 20 CO 0.03 0.84 -0.08 -0.22 -1.61 0.00 0.00 178.31 177.27 1r2u h LYS 21 N 0.70 0.97 -0.31 1.51 1.63 -0.26 -1.27 116.57 119.54 1r2u h LYS 21 Ca 0.14 -0.35 -0.06 0.00 -0.85 0.00 0.00 60.65 59.54 1r2u h LYS 21 Cb 0.45 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.00 1r2u h LYS 21 CO 0.02 1.02 -0.04 0.00 -3.45 0.00 0.00 179.45 177.00 1r2u h ALA 22 N 0.92 0.43 0.00 5.00 0.00 -0.86 0.42 119.26 125.17 1r2u h ALA 22 Ca 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1r2u h ALA 22 Cb 0.63 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1r2u h ALA 22 CO 0.04 0.22 -0.07 0.00 0.00 0.00 0.00 179.25 179.44 1r2u h ALA 23 N 0.82 1.17 0.00 0.00 0.00 -0.87 -1.61 119.26 118.78 1r2u h ALA 23 Ca 0.08 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1r2u h ALA 23 Cb 0.50 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1r2u h ALA 23 CO 0.02 0.09 -0.67 0.35 0.00 0.00 0.00 179.25 179.05 1r2u h PHE 24 N 0.00 0.00 -0.74 0.00 3.04 -0.81 -3.37 116.94 115.06 1r2u h PHE 24 Ca -0.00 0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.05 1r2u h PHE 24 Cb 0.30 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 38.76 1r2u h PHE 24 CO 0.00 0.70 0.49 0.22 -2.02 0.00 0.00 178.31 177.69 1r2u h ASP 25 N -1.00 0.55 -0.76 0.41 3.58 -0.13 -0.16 116.42 118.92 1r2u h ASP 25 Ca -0.13 0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.37 1r2u h ASP 25 Cb 0.81 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.71 1r2u h ASP 25 CO -0.08 0.33 0.50 0.16 -2.88 0.00 0.00 179.24 177.26 1r2u h ILE 26 N 0.61 1.09 0.02 2.25 -0.00 -1.48 -1.26 117.51 118.75 1r2u h ILE 26 Ca 0.34 -0.31 -0.24 0.00 -0.00 0.00 0.00 64.86 64.66 1r2u h ILE 26 Cb 0.52 0.12 -0.03 0.00 -0.00 0.00 0.00 36.82 37.43 1r2u h ILE 26 CO -0.12 0.16 -1.21 -0.26 -0.00 0.00 0.00 178.15 176.72 1r2u h PHE 27 N 0.89 0.08 -0.68 0.16 0.04 -1.40 -3.30 116.94 112.73 1r2u h PHE 27 Ca 0.31 -0.06 -0.44 0.00 2.80 0.00 0.00 57.97 60.58 1r2u h PHE 27 Cb 0.10 -0.00 -0.20 0.00 2.20 0.00 0.00 35.95 38.05 1r2u h PHE 27 CO -0.00 1.05 0.57 -0.89 -0.60 0.00 0.00 178.31 178.44 1r2u n ILE 28 N -3.31 3.00 0.11 -0.55 2.08 -0.19 -4.40 119.36 116.11 1r2u n ILE 28 Ca -0.05 -2.00 -0.03 0.00 0.56 0.00 0.00 62.75 61.22 1r2u n ILE 28 Cb 0.98 -1.16 0.10 0.00 -0.75 0.00 0.00 39.64 38.81 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 1.50 0.03 -0.21 0.38 3.07 -1.42 -3.37 115.11 115.09 1r2u h GLN 29 Ca 0.42 -0.02 -0.20 0.00 0.09 0.00 0.00 58.65 58.93 1r2u h GLN 29 Cb 1.12 0.01 -0.29 0.00 0.08 0.00 0.00 27.48 28.40 1r2u h GLN 29 CO 1.03 0.73 -0.73 -3.47 0.09 0.00 0.00 178.83 176.47 1r2u n ASP 30 N -3.70 0.19 -4.79 0.06 2.03 -1.26 -5.13 116.55 103.95 1r2u n ASP 30 Ca -0.01 -2.10 -0.34 0.00 0.52 0.00 0.00 54.79 52.86 1r2u n ASP 30 Cb 0.70 0.04 -0.01 0.00 -0.72 0.00 0.00 41.12 41.13 1r2u n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1r2u s ALA 31 N -1.83 2.77 -0.06 -1.67 0.00 -1.26 -4.99 121.76 114.72 1r2u s ALA 31 Ca 0.19 0.57 -0.23 0.00 0.00 0.00 0.00 51.96 52.49 1r2u s ALA 31 Cb 0.36 -3.27 -0.30 0.00 0.00 0.00 0.00 23.12 19.91 1r2u s ALA 31 CO -0.08 -0.63 0.87 0.93 0.00 0.00 0.00 175.76 176.85 1r2u h GLU 32 N 1.02 0.25 0.09 0.00 5.08 -1.98 -3.39 114.58 115.66 1r2u h GLU 32 Ca -0.49 -0.42 -0.36 0.00 -1.00 0.00 0.00 59.36 57.09 1r2u h GLU 32 Cb 1.23 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.61 1r2u h GLU 32 CO 0.58 1.20 -2.00 -0.25 -1.00 0.00 0.00 179.01 177.54 1r2u n ASP 33 N -4.21 2.07 0.00 1.42 9.92 -1.26 -5.02 116.55 119.48 1r2u n ASP 33 Ca -0.13 0.19 0.00 0.00 -0.53 0.00 0.00 54.79 54.32 1r2u n ASP 33 Cb 0.77 -0.81 0.00 0.00 -0.64 0.00 0.00 41.12 40.43 1r2u n ASP 33 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1r2u n GLY 34 N 1.95 0.96 3.73 0.44 0.00 -1.26 -5.15 105.19 105.87 1r2u n GLY 34 Ca -0.34 0.00 -0.09 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 -3.26 1.97 0.05 0.00 -5.25 -0.81 -4.84 121.20 109.06 1r2u s ILE 36 Ca 0.18 -1.21 -0.13 0.00 -0.99 0.00 0.00 60.65 58.49 1r2u s ILE 36 Cb -0.04 -2.19 -0.06 0.00 2.95 0.00 0.00 42.46 43.12 1r2u s ILE 36 CO 0.11 0.00 0.43 -0.55 -1.79 0.00 0.00 174.94 173.14 1r2u s SER 37 N -4.48 6.77 0.52 4.36 0.15 -1.26 0.23 113.70 119.99 1r2u s SER 37 Ca 0.50 0.93 0.19 0.00 0.70 0.00 0.00 55.95 58.27 1r2u s SER 37 Cb -0.04 -2.23 1.35 0.00 -1.71 0.00 0.00 66.02 63.39 1r2u s SER 37 CO 0.31 0.25 2.15 0.71 1.20 0.00 0.00 173.24 177.86 1r2u h THR 38 N 3.32 0.91 -0.00 6.45 1.35 -1.79 -1.58 112.91 121.56 1r2u h THR 38 Ca -0.50 -0.11 -0.20 0.00 -0.55 0.00 0.00 66.41 65.05 1r2u h THR 38 Cb 1.21 1.06 -0.01 0.00 -1.73 0.00 0.00 68.15 68.68 1r2u h THR 38 CO 0.64 0.03 -0.87 0.11 -0.25 0.00 0.00 175.52 175.17 1r2u h LYS 39 N 0.00 0.24 -0.49 4.72 1.57 -1.93 -3.15 116.57 117.52 1r2u h LYS 39 Ca -0.00 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1r2u h LYS 39 Cb 0.06 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1r2u h LYS 39 CO 0.00 0.97 0.00 -0.85 -0.57 0.00 0.00 179.45 179.00 1r2u n GLU 40 N -3.69 2.06 -0.21 3.15 0.28 -0.62 -4.19 120.64 117.43 1r2u n GLU 40 Ca -0.04 -1.22 0.05 0.00 -0.16 0.00 0.00 57.16 55.79 1r2u n GLU 40 Cb 0.80 -1.45 0.31 0.00 1.43 0.00 0.00 31.44 32.53 1r2u n GLU 40 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1r2u h LEU 41 N 1.81 0.74 -1.38 -1.84 6.46 -1.44 0.13 115.31 119.79 1r2u h LEU 41 Ca 0.00 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1r2u h LEU 41 Cb 0.67 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.44 1r2u h LEU 41 CO 0.07 0.49 0.00 1.23 -0.62 0.00 0.00 178.44 179.61 1r2u h GLY 42 N 0.85 0.00 0.91 3.75 0.00 -1.85 -2.47 103.07 104.26 1r2u h GLY 42 Ca 0.32 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.30 1r2u h GLY 42 CO -0.10 0.00 -1.76 0.50 0.00 0.00 0.00 176.54 175.17 1r2u h LYS 43 N 0.00 0.38 -0.35 4.80 1.79 -1.05 -2.92 116.57 119.23 1r2u h LYS 43 Ca 0.00 -0.66 -0.12 0.00 -2.18 0.00 0.00 60.65 57.70 1r2u h LYS 43 Cb 0.17 0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 31.05 1r2u h LYS 43 CO 0.00 1.31 -0.27 -0.39 -1.08 0.00 0.00 179.45 179.02 1r2u h VAL 44 N 0.10 1.28 -0.03 0.50 -1.51 -1.28 -2.73 116.25 112.58 1r2u h VAL 44 Ca -0.35 -1.38 -0.13 0.00 -1.23 0.00 0.00 66.70 63.61 1r2u h VAL 44 Cb 2.10 1.30 -0.02 0.00 -2.13 0.00 0.00 31.29 32.54 1r2u h VAL 44 CO 0.17 0.45 -0.60 0.24 -1.23 0.00 0.00 177.57 176.61 1r2u h MET 45 N 0.61 0.11 -0.82 5.19 2.86 -1.60 -2.63 114.93 118.65 1r2u h MET 45 Ca 0.08 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1r2u h MET 45 Cb 0.77 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.40 1r2u h MET 45 CO 0.06 0.67 0.52 0.00 1.06 0.00 0.00 176.91 179.22 1r2u h ARG 46 N 0.08 1.10 -0.14 1.72 2.47 -1.29 0.26 114.38 118.58 1r2u h ARG 46 Ca -0.01 -0.08 -0.18 0.00 -1.26 0.00 0.00 59.98 58.45 1r2u h ARG 46 Cb 1.08 -0.24 -0.00 0.00 -1.65 0.00 0.00 29.97 29.16 1r2u h ARG 46 CO 0.08 0.75 -0.65 0.52 0.56 0.00 0.00 179.97 181.23 1r2u h MET 47 N 1.12 0.52 0.10 0.04 2.86 -1.42 -3.27 114.93 114.89 1r2u h MET 47 Ca 0.30 -0.38 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1r2u h MET 47 Cb -0.08 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1r2u h MET 47 CO -0.06 1.00 -0.05 1.25 1.06 0.00 0.00 176.91 180.12 1r2u h LEU 48 N 0.38 -0.11 0.00 1.22 7.12 -1.06 -3.47 115.31 119.39 1r2u h LEU 48 Ca -0.02 -0.14 0.00 0.00 0.13 0.00 0.00 57.88 57.85 1r2u h LEU 48 Cb 1.22 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 41.38 1r2u h LEU 48 CO 0.12 0.08 0.00 0.61 -0.13 0.00 0.00 178.44 179.12 1r2u n GLY 49 N -0.69 -0.19 3.44 3.75 0.00 -0.07 -5.11 105.19 106.33 1r2u n GLY 49 Ca -0.08 -0.01 -0.15 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 0.81 -0.40 1.61 -0.21 -0.34 -5.01 119.66 116.12 1r2u s GLN 50 Ca 0.00 0.39 0.03 0.00 0.02 0.00 0.00 55.36 55.81 1r2u s GLN 50 Cb 0.00 0.38 0.17 0.00 1.00 0.00 0.00 33.01 34.56 1r2u s GLN 50 CO 0.00 -0.19 0.33 1.21 -2.12 0.00 0.00 175.29 174.52 1r2u s ASN 51 N -0.58 1.54 0.53 5.90 2.47 -1.26 -2.92 114.94 120.62 1r2u s ASN 51 Ca -0.07 -2.81 0.00 0.00 0.42 0.00 0.00 52.86 50.40 1r2u s ASN 51 Cb -0.03 -0.29 0.00 0.00 -1.45 0.00 0.00 41.25 39.48 1r2u s ASN 51 CO 0.05 -0.19 0.00 -0.81 -3.72 0.00 0.00 177.10 172.43 1r2u n PRO 52 N 3.10 0.59 -3.78 0.43 -0.04 -1.26 -5.12 135.00 128.93 1r2u n PRO 52 Ca 0.26 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.48 1r2u n PRO 52 Cb 0.46 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.90 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 2.11 0.23 0.52 -4.23 -1.26 -4.95 115.64 107.75 1r2u s THR 53 Ca 0.00 -1.45 0.13 0.00 -1.18 0.00 0.00 61.69 59.19 1r2u s THR 53 Cb 0.00 -2.56 0.03 0.00 1.34 0.00 0.00 72.50 71.31 1r2u s THR 53 CO 0.00 0.00 1.65 1.55 -0.54 0.00 0.00 174.62 177.28 1r2u h PRO 54 N 0.92 0.00 0.17 3.99 0.13 -2.00 -0.77 132.00 134.44 1r2u h PRO 54 Ca -0.39 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.41 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 0.58 0.53 -1.58 0.93 -0.23 0.00 0.00 178.00 178.23 1r2u h GLU 55 N 0.00 0.36 0.08 0.86 5.08 -2.00 -3.07 114.58 115.89 1r2u h GLU 55 Ca -0.01 -0.62 -0.00 0.00 -1.00 0.00 0.00 59.36 57.74 1r2u h GLU 55 Cb 1.03 0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1r2u h GLU 55 CO 0.07 1.26 -0.04 1.49 -1.00 0.00 0.00 179.01 180.79 1r2u h GLU 56 N 0.10 -0.10 0.00 2.33 4.81 -1.95 -3.13 114.58 116.64 1r2u h GLU 56 Ca -0.28 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.95 1r2u h GLU 56 Cb 2.07 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 31.48 1r2u h GLU 56 CO 0.19 0.32 -0.06 1.25 -0.73 0.00 0.00 179.01 179.98 1r2u h LEU 57 N -0.55 0.00 -0.76 1.64 6.46 -1.30 -2.44 115.31 118.35 1r2u h LEU 57 Ca -0.01 0.00 0.11 0.00 -0.12 0.00 0.00 57.88 57.86 1r2u h LEU 57 Cb 0.47 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 40.32 1r2u h LEU 57 CO 0.02 0.06 0.38 -0.61 -0.62 0.00 0.00 178.44 177.66 1r2u h GLN 58 N 0.00 0.58 -0.62 1.25 -0.00 -1.47 -0.12 115.11 114.73 1r2u h GLN 58 Ca -0.00 -0.03 -0.08 0.00 -0.00 0.00 0.00 58.65 58.54 1r2u h GLN 58 Cb 0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 27.48 27.43 1r2u h GLN 58 CO 0.01 0.38 0.08 0.93 0.00 0.00 0.00 178.83 180.23 1r2u h GLU 59 N 0.60 1.03 -0.67 1.69 5.08 -1.50 -2.92 114.58 117.90 1r2u h GLU 59 Ca 0.39 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1r2u h GLU 59 Cb 0.48 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 1r2u h GLU 59 CO -0.31 0.97 0.37 0.52 -1.00 0.00 0.00 179.01 179.56 1r2u h MET 60 N 0.94 0.93 0.06 2.33 2.86 -1.19 -1.36 114.93 119.50 1r2u h MET 60 Ca 0.18 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1r2u h MET 60 Cb 0.45 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 1r2u h MET 60 CO 0.02 0.70 -0.05 0.82 1.06 0.00 0.00 176.91 179.46 1r2u h ILE 61 N 0.92 0.00 -0.94 -1.22 2.04 -0.92 -0.46 117.51 116.94 1r2u h ILE 61 Ca 0.24 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.31 1r2u h ILE 61 Cb 0.04 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.04 1r2u h ILE 61 CO -0.04 0.00 0.61 0.44 0.00 0.00 0.00 178.15 179.17 1r2u h ASP 62 N -0.11 0.46 0.33 1.72 3.32 -1.56 0.15 116.42 120.75 1r2u h ASP 62 Ca -0.01 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1r2u h ASP 62 Cb 0.09 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1r2u h ASP 62 CO -0.00 0.17 -0.16 -0.33 -1.72 0.00 0.00 179.24 177.20 1r2u h GLU 63 N 0.46 -0.43 0.00 3.56 5.08 -1.00 -3.05 114.58 119.19 1r2u h GLU 63 Ca 0.50 0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.80 1r2u h GLU 63 Cb 1.18 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1r2u h GLU 63 CO -0.22 -0.21 -0.42 -0.39 -1.00 0.00 0.00 179.01 176.77 1r2u h VAL 64 N -0.57 1.04 -0.71 3.13 -1.51 -0.32 -3.40 116.25 113.91 1r2u h VAL 64 Ca -0.05 -1.59 -0.34 0.00 -1.23 0.00 0.00 66.70 63.49 1r2u h VAL 64 Cb 0.42 1.92 -0.05 0.00 -2.13 0.00 0.00 31.29 31.45 1r2u h VAL 64 CO 0.08 0.41 0.92 -0.62 -1.23 0.00 0.00 177.57 177.13 1r2u s ASP 65 N -6.57 5.31 0.17 4.19 -1.08 0.47 -4.59 116.67 114.56 1r2u s ASP 65 Ca -0.01 -1.01 -0.01 0.00 -0.52 0.00 0.00 52.55 51.00 1r2u s ASP 65 Cb 0.12 -2.57 0.02 0.00 -1.46 0.00 0.00 42.92 39.03 1r2u s ASP 65 CO 0.70 -2.64 1.40 -0.33 0.52 0.00 0.00 175.17 174.82 1r2u h GLU 66 N 10.70 0.36 0.11 4.34 5.08 -1.82 -3.32 114.58 130.04 1r2u h GLU 66 Ca 0.14 -0.33 -0.20 0.00 -1.00 0.00 0.00 59.36 57.97 1r2u h GLU 66 Cb 0.99 0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.33 1r2u h GLU 66 CO 1.24 0.99 -0.95 0.38 -1.00 0.00 0.00 179.01 179.67 1r2u h ASP 67 N 0.23 0.38 -2.21 1.42 2.03 -1.96 -3.49 116.42 112.82 1r2u h ASP 67 Ca -0.04 -0.91 -0.05 0.00 -0.73 0.00 0.00 57.03 55.30 1r2u h ASP 67 Cb 1.39 -0.12 0.02 0.00 -0.83 0.00 0.00 39.33 39.79 1r2u h ASP 67 CO 0.13 1.43 -0.10 0.61 -1.03 0.00 0.00 179.24 180.29 1r2u n GLY 68 N 1.67 0.47 0.11 7.15 0.00 -1.25 -5.01 105.19 108.33 1r2u n GLY 68 Ca -0.18 -0.45 -0.20 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.59 1.89 0.00 1.61 3.41 -1.26 -5.04 113.62 113.64 1r2u n SER 69 Ca -0.03 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1r2u n SER 69 Cb 0.52 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 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 1.41 0.88 3.74 5.00 0.00 -1.26 -5.14 105.19 109.82 1r2u n GLY 70 Ca -0.32 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 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 4.36 -0.37 2.61 -4.23 -1.26 -2.36 115.64 114.38 1r2u s THR 71 Ca 0.00 -0.83 -0.14 0.00 -1.18 0.00 0.00 61.69 59.55 1r2u s THR 71 Cb 0.00 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.75 1r2u s THR 71 CO 0.00 0.14 0.27 -0.69 -0.54 0.00 0.00 174.62 173.79 1r2u s VAL 72 N -1.35 5.26 0.80 2.29 1.01 0.14 -4.84 120.40 123.71 1r2u s VAL 72 Ca 0.28 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 1r2u s VAL 72 Cb -0.12 -3.81 0.17 0.00 0.00 0.00 0.00 36.38 32.62 1r2u s VAL 72 CO 0.20 -0.15 1.09 0.47 0.00 0.00 0.00 175.10 176.71 1r2u n ASP 73 N 5.13 0.63 0.06 3.32 8.00 -1.26 -1.93 116.55 130.51 1r2u n ASP 73 Ca -0.12 -1.73 0.00 0.00 0.71 0.00 0.00 54.79 53.65 1r2u n ASP 73 Cb 0.48 -0.78 0.31 0.00 -0.02 0.00 0.00 41.12 41.11 1r2u n ASP 73 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1r2u h PHE 74 N -1.19 0.39 -0.73 1.24 3.57 -1.97 0.17 116.94 118.41 1r2u h PHE 74 Ca -0.36 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.02 1r2u h PHE 74 Cb 1.12 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 1r2u h PHE 74 CO 0.00 0.50 0.19 -0.44 -2.23 0.00 0.00 178.31 176.33 1r2u h ASP 75 N 0.35 1.09 1.79 0.41 5.19 -1.99 0.16 116.42 123.42 1r2u h ASP 75 Ca 0.07 -0.22 -0.04 0.00 -0.62 0.00 0.00 57.03 56.21 1r2u h ASP 75 Cb 0.45 -0.29 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 1r2u h ASP 75 CO 0.03 1.03 -0.21 -0.33 -3.12 0.00 0.00 179.24 176.64 1r2u h GLU 76 N 1.10 0.00 0.10 3.56 5.08 -1.72 -2.88 114.58 119.83 1r2u h GLU 76 Ca 0.23 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.30 1r2u h GLU 76 Cb 0.35 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.63 1r2u h GLU 76 CO -0.00 0.18 -1.21 0.35 -1.00 0.00 0.00 179.01 177.33 1r2u h PHE 77 N 0.00 0.96 -0.03 4.33 3.57 -0.06 -3.32 116.94 122.39 1r2u h PHE 77 Ca -0.00 -0.60 -0.22 0.00 3.53 0.00 0.00 57.97 60.68 1r2u h PHE 77 Cb 1.14 -0.08 0.01 0.00 2.79 0.00 0.00 35.95 39.81 1r2u h PHE 77 CO 0.00 1.44 -0.90 -0.07 -2.23 0.00 0.00 178.31 176.55 1r2u h LEU 78 N 0.27 0.64 -2.26 0.59 3.38 -0.75 -3.21 115.31 113.97 1r2u h LEU 78 Ca -0.17 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.35 1r2u h LEU 78 Cb 1.88 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.44 1r2u h LEU 78 CO 0.23 1.27 0.14 -0.37 0.09 0.00 0.00 178.44 179.80 1r2u h VAL 79 N 0.30 0.54 -1.04 1.22 -1.51 -1.62 -2.24 116.25 111.91 1r2u h VAL 79 Ca -0.08 0.00 0.27 0.00 -1.23 0.00 0.00 66.70 65.66 1r2u h VAL 79 Cb 1.53 0.89 -0.09 0.00 -2.13 0.00 0.00 31.29 31.49 1r2u h VAL 79 CO 0.16 0.00 0.68 0.24 -1.23 0.00 0.00 177.57 177.42 1r2u h MET 80 N 0.00 0.35 -0.27 5.19 2.86 -1.64 0.19 114.93 121.61 1r2u h MET 80 Ca 0.07 -0.02 -0.18 0.00 -2.06 0.00 0.00 59.70 57.50 1r2u h MET 80 Cb 0.35 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 1r2u h MET 80 CO -0.00 0.23 -0.55 0.00 1.06 0.00 0.00 176.91 177.65 1r2u h MET 81 N 0.36 0.81 0.01 1.72 -0.00 -1.64 -3.18 114.93 113.00 1r2u h MET 81 Ca 0.58 -0.51 -0.21 0.00 -0.00 0.00 0.00 59.70 59.56 1r2u h MET 81 Cb 1.54 0.06 -0.03 0.00 -0.00 0.00 0.00 31.60 33.17 1r2u h MET 81 CO -0.26 1.14 -0.97 -0.39 -0.00 0.00 0.00 176.91 176.43 1r2u h VAL 82 N 0.62 1.68 -0.02 -0.10 -1.51 -1.25 -3.22 116.25 112.45 1r2u h VAL 82 Ca 0.01 -3.27 0.00 0.00 -1.23 0.00 0.00 66.70 62.22 1r2u h VAL 82 Cb 1.14 2.78 -0.00 0.00 -2.13 0.00 0.00 31.29 33.08 1r2u h VAL 82 CO 0.12 0.93 0.01 0.03 -1.23 0.00 0.00 177.57 177.43 1r2u h ARG 83 N 0.01 0.00 -0.60 5.19 2.47 -0.72 -1.54 114.38 119.18 1r2u h ARG 83 Ca -0.02 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.68 1r2u h ARG 83 Cb 1.71 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 30.00 1r2u h ARG 83 CO 0.13 0.00 0.29 0.00 0.56 0.00 0.00 179.97 180.95 1r2u n MET 85 N -4.36 0.00 -2.49 0.00 1.56 -0.59 -5.04 117.12 106.21 1r2u n MET 85 Ca 0.05 0.25 -0.03 0.00 -0.27 0.00 0.00 57.70 57.70 1r2u n MET 85 Cb 0.13 -0.99 -0.02 0.00 2.15 0.00 0.00 33.22 34.48 1r2u n MET 85 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1r2u n LYS 86 N -1.24 -4.93 0.00 2.12 4.76 -1.19 -4.96 118.16 112.72 1r2u n LYS 86 Ca 0.00 3.63 0.00 0.00 -2.87 0.00 0.00 58.31 59.07 1r2u n LYS 86 Cb 0.00 -4.90 0.00 0.00 -1.84 0.00 0.00 35.03 28.29 1r2u n LYS 86 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1r2u n ASP 87 N 1.80 0.00 -1.94 4.39 8.00 -1.26 -4.86 116.55 122.68 1r2u n ASP 87 Ca -0.22 0.93 -0.01 0.00 0.71 0.00 0.00 54.79 56.21 1r2u n ASP 87 Cb 0.33 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 1r2u n ASP 87 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1r2u n ASP 88 N -1.91 -0.45 0.00 -2.24 5.68 -1.26 -5.22 116.55 111.14 1r2u n ASP 88 Ca 0.00 -1.28 0.00 0.00 -0.50 0.00 0.00 54.79 53.01 1r2u n ASP 88 Cb 0.00 0.36 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 1r2u n ASP 88 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67