#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 6.96 -0.11 3.17 -0.87 -1.26 -4.89 114.94 117.95 1r2u s ASN 2 Ca 0.00 1.58 0.16 0.00 -1.57 0.00 0.00 52.86 53.03 1r2u s ASN 2 Cb 0.00 -2.54 0.26 0.00 -0.02 0.00 0.00 41.25 38.95 1r2u s ASN 2 CO 0.00 -0.76 1.15 0.47 -2.57 0.00 0.00 177.10 175.38 1r2u n ASP 3 N 6.62 2.42 0.05 -1.22 8.00 -1.26 -4.63 116.55 126.53 1r2u n ASP 3 Ca 0.13 -2.88 -0.04 0.00 0.71 0.00 0.00 54.79 52.71 1r2u n ASP 3 Cb 0.45 -0.36 -0.09 0.00 -0.02 0.00 0.00 41.12 41.10 1r2u n ASP 3 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1r2u h ILE 4 N 0.18 1.01 -0.13 0.53 -2.65 -1.90 -3.01 117.51 111.54 1r2u h ILE 4 Ca 0.00 -2.63 -0.12 0.00 1.03 0.00 0.00 64.86 63.13 1r2u h ILE 4 Cb 0.95 2.45 -0.01 0.00 -2.05 0.00 0.00 36.82 38.15 1r2u h ILE 4 CO 0.02 0.58 -0.45 1.88 0.03 0.00 0.00 178.15 180.20 1r2u h TYR 5 N 0.00 0.39 0.03 0.16 0.05 -1.85 0.11 116.97 115.87 1r2u h TYR 5 Ca -0.12 -0.12 -0.25 0.00 0.05 0.00 0.00 58.73 58.29 1r2u h TYR 5 Cb 1.71 -0.08 0.01 0.00 1.01 0.00 0.00 36.73 39.38 1r2u h TYR 5 CO 0.00 0.72 -1.04 0.87 -1.05 0.00 0.00 178.16 177.66 1r2u h LYS 6 N 0.27 0.48 0.00 4.88 1.79 -1.87 0.80 116.57 122.91 1r2u h LYS 6 Ca 0.02 -0.56 -0.11 0.00 -2.18 0.00 0.00 60.65 57.82 1r2u h LYS 6 Cb 0.90 0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.71 1r2u h LYS 6 CO 0.07 1.20 -0.52 0.00 -1.08 0.00 0.00 179.45 179.12 1r2u h ALA 7 N 0.60 0.84 0.16 3.86 0.00 -1.40 -3.03 119.26 120.28 1r2u h ALA 7 Ca -0.11 -0.48 -0.34 0.00 0.00 0.00 0.00 54.91 53.98 1r2u h ALA 7 Cb 1.70 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1r2u h ALA 7 CO 0.19 0.65 -1.77 0.00 0.00 0.00 0.00 179.25 178.32 1r2u h ALA 8 N 1.48 0.23 -0.24 0.00 0.00 -0.76 -3.33 119.26 116.63 1r2u h ALA 8 Ca -0.01 -1.20 0.02 0.00 0.00 0.00 0.00 54.91 53.73 1r2u h ALA 8 Cb 1.15 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1r2u h ALA 8 CO 0.07 1.07 0.16 -0.24 0.00 0.00 0.00 179.25 180.30 1r2u h VAL 9 N 0.03 1.00 0.00 0.00 3.04 -0.89 0.74 116.25 120.17 1r2u h VAL 9 Ca -0.36 -0.08 -0.04 0.00 -1.01 0.00 0.00 66.70 65.21 1r2u h VAL 9 Cb 2.03 0.76 -0.01 0.00 -2.01 0.00 0.00 31.29 32.06 1r2u h VAL 9 CO 0.14 0.04 -0.19 -0.33 -1.01 0.00 0.00 177.57 176.21 1r2u h GLU 10 N 0.22 0.00 0.19 4.17 5.08 -1.65 -2.93 114.58 119.65 1r2u h GLU 10 Ca 0.10 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.15 1r2u h GLU 10 Cb 0.12 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.40 1r2u h GLU 10 CO -0.02 0.19 -1.35 1.96 -1.00 0.00 0.00 179.01 178.79 1r2u h GLN 11 N 0.00 0.49 -7.44 2.33 1.08 -0.98 -3.46 115.11 107.13 1r2u h GLN 11 Ca -0.00 -0.78 -0.48 0.00 -1.45 0.00 0.00 58.65 55.94 1r2u h GLN 11 Cb 0.61 0.28 0.11 0.00 -0.05 0.00 0.00 27.48 28.43 1r2u h GLN 11 CO 0.02 1.36 0.34 -0.51 -0.95 0.00 0.00 178.83 179.10 1r2u s LEU 12 N -7.55 2.55 0.39 1.46 1.43 -0.94 -5.08 118.68 110.95 1r2u s LEU 12 Ca -0.08 1.21 0.08 0.00 -1.03 0.00 0.00 54.13 54.31 1r2u s LEU 12 Cb 0.05 -3.80 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 1r2u s LEU 12 CO 0.93 -1.97 0.30 0.42 0.23 0.00 0.00 176.35 176.26 1r2u s THR 13 N -3.22 2.78 0.34 5.49 -4.23 -1.26 -4.95 115.64 110.59 1r2u s THR 13 Ca 0.61 -1.45 0.09 0.00 -1.18 0.00 0.00 61.69 59.75 1r2u s THR 13 Cb -0.14 -3.03 0.09 0.00 1.34 0.00 0.00 72.50 70.76 1r2u s THR 13 CO 0.54 -0.05 1.79 0.44 -0.54 0.00 0.00 174.62 176.80 1r2u h ASP 14 N 1.20 0.20 -0.58 3.99 3.32 -1.98 -2.53 116.42 120.05 1r2u h ASP 14 Ca -0.42 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.55 1r2u h ASP 14 Cb 1.26 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.73 1r2u h ASP 14 CO 0.60 0.51 0.33 1.05 -1.72 0.00 0.00 179.24 180.01 1r2u h GLU 15 N 0.18 0.82 -0.41 3.56 -0.00 -1.98 -0.09 114.58 116.65 1r2u h GLU 15 Ca 0.03 -0.08 -0.02 0.00 -0.00 0.00 0.00 59.36 59.29 1r2u h GLU 15 Cb 0.64 -0.17 -0.02 0.00 -0.00 0.00 0.00 28.75 29.20 1r2u h GLU 15 CO 0.05 0.60 0.19 1.96 -0.00 0.00 0.00 179.01 181.81 1r2u h GLN 16 N 0.83 0.59 -0.24 1.06 1.08 -1.86 0.03 115.11 116.60 1r2u h GLN 16 Ca 0.21 -0.09 -0.10 0.00 -1.45 0.00 0.00 58.65 57.22 1r2u h GLN 16 Cb 0.02 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 1r2u h GLN 16 CO -0.04 0.52 -0.29 0.87 -0.95 0.00 0.00 178.83 178.94 1r2u h LYS 17 N 0.52 0.48 -0.29 1.46 6.56 -1.40 -1.30 116.57 122.60 1r2u h LYS 17 Ca 0.14 -0.20 -0.02 0.00 -1.06 0.00 0.00 60.65 59.51 1r2u h LYS 17 Cb 0.13 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.75 1r2u h LYS 17 CO -0.02 0.73 0.09 -0.97 -2.06 0.00 0.00 179.45 177.22 1r2u h ASN 18 N 0.42 0.43 -0.51 0.86 -1.24 -0.59 0.61 115.58 115.55 1r2u h ASN 18 Ca 0.06 -0.21 -0.02 0.00 0.71 0.00 0.00 56.30 56.84 1r2u h ASN 18 Cb 0.73 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.64 1r2u h ASN 18 CO 0.06 0.53 0.26 -0.33 -1.29 0.00 0.00 177.43 176.65 1r2u h GLU 19 N 0.31 0.73 -0.82 6.67 4.39 -0.84 -0.98 114.58 124.05 1r2u h GLU 19 Ca 0.09 -0.10 0.02 0.00 0.34 0.00 0.00 59.36 59.71 1r2u h GLU 19 Cb 0.25 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 1r2u h GLU 19 CO -0.00 0.60 0.54 0.74 -1.16 0.00 0.00 179.01 179.72 1r2u h PHE 20 N 0.69 1.01 0.05 4.33 -1.00 -1.01 0.22 116.94 121.23 1r2u h PHE 20 Ca 0.18 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.98 1r2u h PHE 20 Cb 0.10 -0.34 0.00 0.00 3.61 0.00 0.00 35.95 39.32 1r2u h PHE 20 CO -0.01 0.62 -0.02 -0.22 -1.61 0.00 0.00 178.31 177.06 1r2u h LYS 21 N 1.08 -0.06 -0.56 1.51 3.11 -0.46 0.42 116.57 121.60 1r2u h LYS 21 Ca 0.31 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 58.14 1r2u h LYS 21 Cb -0.08 0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.14 1r2u h LYS 21 CO -0.08 0.19 0.31 0.00 -2.81 0.00 0.00 179.45 177.06 1r2u h ALA 22 N 0.62 0.72 0.00 5.00 0.00 -1.00 0.55 119.26 125.15 1r2u h ALA 22 Ca -0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1r2u h ALA 22 Cb 0.28 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1r2u h ALA 22 CO 0.01 0.24 -0.10 0.00 0.00 0.00 0.00 179.25 179.40 1r2u h ALA 23 N 1.14 1.33 0.00 0.00 0.00 -0.49 -1.91 119.26 119.32 1r2u h ALA 23 Ca 0.20 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1r2u h ALA 23 Cb 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1r2u h ALA 23 CO -0.03 0.13 -0.53 0.35 0.00 0.00 0.00 179.25 179.16 1r2u h PHE 24 N 0.00 0.00 -0.97 0.00 3.57 0.22 -3.37 116.94 116.39 1r2u h PHE 24 Ca -0.00 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.67 1r2u h PHE 24 Cb 0.28 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.93 1r2u h PHE 24 CO 0.00 0.67 0.61 0.22 -2.23 0.00 0.00 178.31 177.58 1r2u h ASP 25 N -1.00 0.74 -0.85 0.41 1.82 0.12 -0.64 116.42 117.01 1r2u h ASP 25 Ca -0.11 0.07 0.08 0.00 -0.39 0.00 0.00 57.03 56.68 1r2u h ASP 25 Cb 0.75 -0.07 -0.06 0.00 0.68 0.00 0.00 39.33 40.63 1r2u h ASP 25 CO -0.07 0.32 0.56 0.16 -1.61 0.00 0.00 179.24 178.60 1r2u h ILE 26 N 0.75 1.02 0.00 2.25 3.07 -1.52 -1.58 117.51 121.49 1r2u h ILE 26 Ca 0.52 -0.31 -0.21 0.00 1.55 0.00 0.00 64.86 66.41 1r2u h ILE 26 Cb 0.81 0.04 -0.03 0.00 -0.27 0.00 0.00 36.82 37.37 1r2u h ILE 26 CO -0.29 0.16 -1.13 -0.26 -1.05 0.00 0.00 178.15 175.58 1r2u h PHE 27 N 0.90 0.00 -0.63 0.16 0.04 -1.35 -3.30 116.94 112.77 1r2u h PHE 27 Ca 0.38 0.00 -0.38 0.00 2.80 0.00 0.00 57.97 60.77 1r2u h PHE 27 Cb 0.30 0.00 -0.19 0.00 2.20 0.00 0.00 35.95 38.26 1r2u h PHE 27 CO -0.00 0.87 0.49 -0.89 -0.60 0.00 0.00 178.31 178.17 1r2u n ILE 28 N -3.20 2.72 0.11 -0.55 2.08 -0.39 -4.33 119.36 115.80 1r2u n ILE 28 Ca -0.05 -1.64 -0.04 0.00 0.56 0.00 0.00 62.75 61.59 1r2u n ILE 28 Cb 0.92 -0.99 0.09 0.00 -0.75 0.00 0.00 39.64 38.91 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 1.15 0.05 -0.17 0.38 3.07 -1.51 -3.36 115.11 114.72 1r2u h GLN 29 Ca 0.39 -0.04 -0.19 0.00 0.09 0.00 0.00 58.65 58.89 1r2u h GLN 29 Cb 1.50 0.01 -0.30 0.00 0.08 0.00 0.00 27.48 28.77 1r2u h GLN 29 CO 0.86 0.74 -0.78 -3.47 0.09 0.00 0.00 178.83 176.27 1r2u n ASP 30 N -3.72 0.33 -4.77 0.06 2.03 -1.26 -5.13 116.55 104.10 1r2u n ASP 30 Ca -0.01 -2.06 -0.34 0.00 0.52 0.00 0.00 54.79 52.89 1r2u n ASP 30 Cb 0.70 -0.04 0.02 0.00 -0.72 0.00 0.00 41.12 41.08 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 -1.47 2.60 -0.02 -1.67 0.00 -1.26 -4.98 121.76 114.96 1r2u s ALA 31 Ca 0.20 0.72 -0.26 0.00 0.00 0.00 0.00 51.96 52.63 1r2u s ALA 31 Cb 0.32 -3.35 -0.20 0.00 0.00 0.00 0.00 23.12 19.90 1r2u s ALA 31 CO -0.09 -0.99 1.24 0.93 0.00 0.00 0.00 175.76 176.85 1r2u h GLU 32 N 0.71 -0.04 0.02 0.00 5.08 -1.98 -3.38 114.58 115.00 1r2u h GLU 32 Ca -0.49 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.49 1r2u h GLU 32 Cb 1.26 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.46 1r2u h GLU 32 CO 0.56 0.43 -2.37 -3.47 -1.00 0.00 0.00 179.01 173.15 1r2u n ASP 33 N -4.88 1.69 0.00 1.42 2.03 -1.26 -5.03 116.55 110.52 1r2u n ASP 33 Ca -0.08 -0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.17 1r2u n ASP 33 Cb 0.25 -0.26 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 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 2.13 0.99 3.74 0.27 0.00 -1.26 -5.16 105.19 105.89 1r2u n GLY 34 Ca -0.41 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.44 2.02 -0.06 0.00 -5.25 -0.44 -4.87 121.20 109.16 1r2u s ILE 36 Ca 0.17 -1.22 -0.15 0.00 -0.99 0.00 0.00 60.65 58.46 1r2u s ILE 36 Cb -0.04 -2.24 -0.05 0.00 2.95 0.00 0.00 42.46 43.08 1r2u s ILE 36 CO 0.10 0.00 0.38 -0.55 -1.79 0.00 0.00 174.94 173.08 1r2u s SER 37 N -4.46 6.69 0.26 4.36 0.15 -1.26 0.48 113.70 119.92 1r2u s SER 37 Ca 0.49 0.82 -0.04 0.00 0.70 0.00 0.00 55.95 57.92 1r2u s SER 37 Cb -0.04 -2.23 0.35 0.00 -1.71 0.00 0.00 66.02 62.39 1r2u s SER 37 CO 0.31 0.22 1.89 0.71 1.20 0.00 0.00 173.24 177.57 1r2u h THR 38 N 4.11 1.14 0.00 6.45 1.35 -1.80 0.15 112.91 124.31 1r2u h THR 38 Ca -0.48 -0.42 -0.01 0.00 -0.55 0.00 0.00 66.41 64.95 1r2u h THR 38 Cb 1.20 -0.18 -0.00 0.00 -1.73 0.00 0.00 68.15 67.44 1r2u h THR 38 CO 0.67 0.22 -0.06 0.07 -0.25 0.00 0.00 175.52 176.16 1r2u h LYS 39 N 1.21 0.00 -0.70 4.72 2.10 -1.94 -2.57 116.57 119.39 1r2u h LYS 39 Ca 0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.06 1r2u h LYS 39 Cb 0.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.40 1r2u h LYS 39 CO -0.14 0.06 0.00 0.39 -2.00 0.00 0.00 179.45 177.76 1r2u n GLU 40 N -3.22 2.84 -0.09 0.07 1.02 -0.04 -4.44 120.64 116.79 1r2u n GLU 40 Ca -0.00 -2.65 -0.11 0.00 -0.02 0.00 0.00 57.16 54.38 1r2u n GLU 40 Cb 0.31 -1.58 -0.04 0.00 -0.02 0.00 0.00 31.44 30.11 1r2u n GLU 40 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1r2u h LEU 41 N 4.13 0.43 -2.92 -4.62 6.46 -0.91 -1.86 115.31 116.03 1r2u h LEU 41 Ca 0.00 -0.28 0.00 0.00 -0.12 0.00 0.00 57.88 57.48 1r2u h LEU 41 Cb 1.02 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.84 1r2u h LEU 41 CO 0.02 0.60 0.01 1.23 -0.62 0.00 0.00 178.44 179.68 1r2u h GLY 42 N 0.25 0.00 0.99 3.75 0.00 -1.79 -0.80 103.07 105.47 1r2u h GLY 42 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.06 1r2u h GLY 42 CO 0.01 0.00 -1.71 1.70 0.00 0.00 0.00 176.54 176.54 1r2u h LYS 43 N 0.00 0.39 -0.11 4.80 3.11 -1.70 -3.32 116.57 119.75 1r2u h LYS 43 Ca 0.00 -0.68 -0.17 0.00 -2.81 0.00 0.00 60.65 57.00 1r2u h LYS 43 Cb 0.01 0.25 -0.01 0.00 -1.00 0.00 0.00 32.23 31.49 1r2u h LYS 43 CO -0.00 1.31 -0.64 -0.39 -2.81 0.00 0.00 179.45 176.92 1r2u h VAL 44 N 0.11 1.36 0.00 2.00 -1.51 -0.56 -3.03 116.25 114.63 1r2u h VAL 44 Ca -0.33 -1.99 -0.01 0.00 -1.23 0.00 0.00 66.70 63.15 1r2u h VAL 44 Cb 2.10 1.98 -0.00 0.00 -2.13 0.00 0.00 31.29 33.24 1r2u h VAL 44 CO 0.19 0.60 -0.03 0.24 -1.23 0.00 0.00 177.57 177.34 1r2u h MET 45 N 0.30 0.00 -0.68 5.19 2.86 -1.32 -2.26 114.93 119.02 1r2u h MET 45 Ca -0.01 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.69 1r2u h MET 45 Cb 1.19 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.80 1r2u h MET 45 CO 0.11 0.03 0.38 0.00 1.06 0.00 0.00 176.91 178.49 1r2u h ARG 46 N 0.00 0.68 -0.27 1.72 3.08 -1.14 0.50 114.38 118.96 1r2u h ARG 46 Ca -0.00 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 1r2u h ARG 46 Cb 0.05 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1r2u h ARG 46 CO 0.00 0.45 -0.18 0.52 -1.07 0.00 0.00 179.97 179.69 1r2u h MET 47 N 0.70 0.48 0.19 0.04 2.86 -1.55 -3.29 114.93 114.36 1r2u h MET 47 Ca 0.30 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 1r2u h MET 47 Cb 0.18 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1r2u h MET 47 CO -0.18 0.65 -0.09 1.25 1.06 0.00 0.00 176.91 179.59 1r2u h LEU 48 N 0.44 -0.22 0.00 1.22 5.85 -1.18 -3.48 115.31 117.94 1r2u h LEU 48 Ca 0.07 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1r2u h LEU 48 Cb 0.57 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1r2u h LEU 48 CO 0.04 0.11 0.00 0.61 -0.34 0.00 0.00 178.44 178.86 1r2u n GLY 49 N 0.98 0.00 3.43 3.75 0.00 0.15 -5.12 105.19 108.39 1r2u n GLY 49 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 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 0.92 -0.46 1.61 -0.21 0.14 -4.99 119.66 116.67 1r2u s GLN 50 Ca 0.00 0.15 0.07 0.00 0.02 0.00 0.00 55.36 55.60 1r2u s GLN 50 Cb 0.00 0.43 0.18 0.00 1.00 0.00 0.00 33.01 34.62 1r2u s GLN 50 CO 0.00 -0.27 0.63 1.21 -2.12 0.00 0.00 175.29 174.74 1r2u s ASN 51 N -1.15 -1.01 0.53 5.90 2.47 -1.26 -1.51 114.94 118.91 1r2u s ASN 51 Ca -0.11 -1.50 0.00 0.00 0.42 0.00 0.00 52.86 51.67 1r2u s ASN 51 Cb -0.02 1.61 0.00 0.00 -1.45 0.00 0.00 41.25 41.40 1r2u s ASN 51 CO 0.08 -0.12 0.00 -0.81 -3.72 0.00 0.00 177.10 172.53 1r2u n PRO 52 N 3.56 0.61 -3.24 0.43 -0.04 -1.26 -5.11 135.00 129.95 1r2u n PRO 52 Ca 0.16 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.43 1r2u n PRO 52 Cb 0.55 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.00 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 -0.25 2.83 0.21 0.52 -4.23 -1.26 -4.93 115.64 108.53 1r2u s THR 53 Ca 0.00 -1.14 0.14 0.00 -1.18 0.00 0.00 61.69 59.50 1r2u s THR 53 Cb 0.00 -2.98 0.04 0.00 1.34 0.00 0.00 72.50 70.90 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 0.79 0.00 0.05 3.99 0.13 -1.99 -0.46 132.00 134.52 1r2u h PRO 54 Ca -0.40 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.46 1r2u h PRO 54 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 1r2u h PRO 54 CO 0.50 0.52 -1.35 1.05 -0.23 0.00 0.00 178.00 178.49 1r2u h GLU 55 N 0.00 0.12 0.04 0.86 4.11 -1.99 -2.97 114.58 114.75 1r2u h GLU 55 Ca -0.01 -0.20 -0.00 0.00 0.07 0.00 0.00 59.36 59.23 1r2u h GLU 55 Cb 1.04 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1r2u h GLU 55 CO 0.07 0.96 -0.02 1.49 0.07 0.00 0.00 179.01 181.58 1r2u h GLU 56 N 0.03 -0.06 0.00 1.06 4.81 -1.94 -3.30 114.58 115.18 1r2u h GLU 56 Ca -0.16 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.05 1r2u h GLU 56 Cb 1.92 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 31.31 1r2u h GLU 56 CO 0.14 0.57 -0.10 1.37 -0.73 0.00 0.00 179.01 180.26 1r2u h LEU 57 N -0.90 0.00 -0.83 1.64 -0.00 -1.25 -2.73 115.31 111.24 1r2u h LEU 57 Ca -0.01 0.00 0.12 0.00 -0.00 0.00 0.00 57.88 57.99 1r2u h LEU 57 Cb 0.66 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.24 1r2u h LEU 57 CO 0.01 0.10 0.45 -0.61 -0.00 0.00 0.00 178.44 178.39 1r2u h GLN 58 N 0.00 0.68 -0.53 0.17 -0.00 -1.60 -0.29 115.11 113.55 1r2u h GLN 58 Ca -0.00 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.65 58.59 1r2u h GLN 58 Cb 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 27.48 27.52 1r2u h GLN 58 CO 0.01 0.45 0.26 0.93 0.00 0.00 0.00 178.83 180.48 1r2u h GLU 59 N 0.70 0.75 -0.89 1.69 4.39 -1.61 -2.49 114.58 117.12 1r2u h GLU 59 Ca 0.42 -0.11 0.01 0.00 0.34 0.00 0.00 59.36 60.02 1r2u h GLU 59 Cb 0.49 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.96 1r2u h GLU 59 CO -0.30 0.62 0.58 0.52 -1.16 0.00 0.00 179.01 179.26 1r2u h MET 60 N 0.70 1.17 0.00 2.33 2.86 -1.27 -1.07 114.93 119.65 1r2u h MET 60 Ca 0.18 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1r2u h MET 60 Cb 0.11 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 31.51 1r2u h MET 60 CO -0.02 0.79 0.00 -0.89 1.06 0.00 0.00 176.91 177.84 1r2u n ILE 61 N -4.39 0.00 -0.10 -1.22 2.08 -0.25 -0.69 119.36 114.79 1r2u n ILE 61 Ca 0.10 1.44 0.13 0.00 0.56 0.00 0.00 62.75 64.98 1r2u n ILE 61 Cb 0.03 -2.25 0.50 0.00 -0.75 0.00 0.00 39.64 37.17 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 0.37 -0.81 4.38 3.58 -1.53 0.33 116.42 122.74 1r2u h ASP 62 Ca 0.00 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.42 1r2u h ASP 62 Cb 0.00 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 40.95 1r2u h ASP 62 CO 0.00 0.22 0.36 -0.33 -2.88 0.00 0.00 179.24 176.61 1r2u h GLU 63 N 0.41 1.19 0.00 0.28 5.08 -0.82 -3.15 114.58 117.57 1r2u h GLU 63 Ca 0.29 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1r2u h GLU 63 Cb 0.60 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1r2u h GLU 63 CO -0.08 0.94 -1.57 1.33 -1.00 0.00 0.00 179.01 178.63 1r2u n VAL 64 N -4.30 0.22 -2.13 3.13 0.24 0.13 -4.77 118.33 110.85 1r2u n VAL 64 Ca 0.08 -0.49 -0.29 0.00 -2.04 0.00 0.00 64.34 61.60 1r2u n VAL 64 Cb 0.16 -0.08 -0.05 0.00 -1.47 0.00 0.00 33.84 32.41 1r2u n VAL 64 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1r2u s ASP 65 N -4.73 5.31 0.39 -1.34 -1.08 0.11 -4.61 116.67 110.72 1r2u s ASP 65 Ca -0.04 -1.25 0.12 0.00 -0.52 0.00 0.00 52.55 50.86 1r2u s ASP 65 Cb 0.13 -2.57 0.80 0.00 -1.46 0.00 0.00 42.92 39.81 1r2u s ASP 65 CO 0.86 -2.69 1.89 -0.33 0.52 0.00 0.00 175.17 175.43 1r2u h GLU 66 N 10.31 0.10 0.17 4.34 4.39 -1.86 -3.04 114.58 128.99 1r2u h GLU 66 Ca 0.18 -0.03 -0.25 0.00 0.34 0.00 0.00 59.36 59.60 1r2u h GLU 66 Cb 0.97 -0.01 0.02 0.00 -0.10 0.00 0.00 28.75 29.63 1r2u h GLU 66 CO 1.25 0.34 -1.12 -0.44 -1.16 0.00 0.00 179.01 177.87 1r2u h ASP 67 N 0.09 0.56 -1.19 1.42 3.32 -1.95 -3.48 116.42 115.18 1r2u h ASP 67 Ca 0.01 -0.93 -0.06 0.00 0.02 0.00 0.00 57.03 56.08 1r2u h ASP 67 Cb 0.48 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.86 1r2u h ASP 67 CO 0.03 1.53 -0.09 0.61 -1.72 0.00 0.00 179.24 179.60 1r2u n GLY 68 N 1.70 0.56 0.09 2.75 0.00 -1.15 -4.99 105.19 104.15 1r2u n GLY 68 Ca -0.17 -0.63 -0.15 0.00 0.00 0.00 0.00 46.02 45.07 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 1.09 1.85 0.00 1.61 3.41 -1.26 -5.03 113.62 115.28 1r2u n SER 69 Ca -0.01 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 1r2u n SER 69 Cb 0.52 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 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 1.49 0.62 3.86 5.00 0.00 -1.26 -5.14 105.19 109.77 1r2u n GLY 70 Ca -0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 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 4.98 -0.30 2.61 -4.23 -1.26 -2.45 115.64 114.99 1r2u s THR 71 Ca 0.00 -0.67 -0.10 0.00 -1.18 0.00 0.00 61.69 59.73 1r2u s THR 71 Cb 0.00 -3.47 -0.02 0.00 1.34 0.00 0.00 72.50 70.35 1r2u s THR 71 CO 0.00 0.05 0.17 -0.69 -0.54 0.00 0.00 174.62 173.60 1r2u s VAL 72 N -1.56 4.88 0.80 2.29 1.01 0.18 -4.83 120.40 123.17 1r2u s VAL 72 Ca 0.33 -0.19 -0.08 0.00 0.00 0.00 0.00 61.98 62.03 1r2u s VAL 72 Cb -0.12 -3.42 0.13 0.00 0.00 0.00 0.00 36.38 32.97 1r2u s VAL 72 CO 0.26 0.14 1.12 -1.81 0.00 0.00 0.00 175.10 174.81 1r2u s ASP 73 N 1.67 4.09 0.35 3.32 1.01 -1.26 -1.33 116.67 124.53 1r2u s ASP 73 Ca 0.06 0.17 0.05 0.00 0.71 0.00 0.00 52.55 53.54 1r2u s ASP 73 Cb -0.17 -0.53 0.65 0.00 1.01 0.00 0.00 42.92 43.89 1r2u s ASP 73 CO 0.08 -2.07 1.92 0.15 0.21 0.00 0.00 175.17 175.45 1r2u h PHE 74 N -0.95 0.55 -0.41 4.23 3.57 -1.98 0.38 116.94 122.33 1r2u h PHE 74 Ca -0.42 -0.04 -0.13 0.00 3.53 0.00 0.00 57.97 60.91 1r2u h PHE 74 Cb 1.27 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 1r2u h PHE 74 CO -0.33 0.49 -0.26 -0.44 -2.23 0.00 0.00 178.31 175.55 1r2u h ASP 75 N 0.53 0.88 1.65 0.41 5.19 -1.99 -0.84 116.42 122.25 1r2u h ASP 75 Ca 0.12 -0.34 -0.04 0.00 -0.62 0.00 0.00 57.03 56.15 1r2u h ASP 75 Cb 0.23 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1r2u h ASP 75 CO -0.00 1.09 -0.19 -0.33 -3.12 0.00 0.00 179.24 176.69 1r2u h GLU 76 N 0.73 0.00 0.06 3.56 5.08 -1.65 -2.61 114.58 119.75 1r2u h GLU 76 Ca 0.09 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.22 1r2u h GLU 76 Cb 0.80 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.08 1r2u h GLU 76 CO 0.07 0.19 -0.95 0.35 -1.00 0.00 0.00 179.01 177.67 1r2u h PHE 77 N 0.00 0.84 0.01 4.33 3.57 0.07 -3.29 116.94 122.47 1r2u h PHE 77 Ca -0.00 -0.50 -0.24 0.00 3.53 0.00 0.00 57.97 60.76 1r2u h PHE 77 Cb 1.07 -0.08 0.01 0.00 2.79 0.00 0.00 35.95 39.74 1r2u h PHE 77 CO 0.00 1.34 -1.00 -0.07 -2.23 0.00 0.00 178.31 176.36 1r2u h LEU 78 N 0.10 0.63 -2.12 0.59 3.38 -1.21 -3.23 115.31 113.46 1r2u h LEU 78 Ca -0.14 -0.52 0.05 0.00 0.09 0.00 0.00 57.88 57.37 1r2u h LEU 78 Cb 1.65 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 1r2u h LEU 78 CO 0.18 1.32 0.14 -0.37 0.09 0.00 0.00 178.44 179.81 1r2u h VAL 79 N 0.26 0.74 -1.32 1.22 -1.51 -1.58 -2.47 116.25 111.59 1r2u h VAL 79 Ca -0.10 0.00 0.40 0.00 -1.23 0.00 0.00 66.70 65.77 1r2u h VAL 79 Cb 1.64 0.90 -0.10 0.00 -2.13 0.00 0.00 31.29 31.60 1r2u h VAL 79 CO 0.18 0.00 0.88 0.24 -1.23 0.00 0.00 177.57 177.64 1r2u h MET 80 N 0.00 0.13 0.04 5.19 2.86 -1.62 1.05 114.93 122.58 1r2u h MET 80 Ca 0.08 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.65 1r2u h MET 80 Cb 0.36 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1r2u h MET 80 CO -0.00 0.08 -0.31 0.52 1.06 0.00 0.00 176.91 178.27 1r2u h MET 81 N 0.13 0.09 0.00 1.72 2.86 -1.69 -3.34 114.93 114.70 1r2u h MET 81 Ca 0.75 -0.15 -0.13 0.00 -2.06 0.00 0.00 59.70 58.12 1r2u h MET 81 Cb 2.44 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 34.13 1r2u h MET 81 CO -0.28 1.07 -0.60 -0.39 1.06 0.00 0.00 176.91 177.76 1r2u h VAL 82 N -0.82 1.33 0.00 -2.22 -1.51 -1.20 -3.08 116.25 108.74 1r2u h VAL 82 Ca -0.06 -2.14 -0.01 0.00 -1.23 0.00 0.00 66.70 63.26 1r2u h VAL 82 Cb 1.20 2.19 -0.00 0.00 -2.13 0.00 0.00 31.29 32.55 1r2u h VAL 82 CO 0.03 0.59 -0.06 0.08 -1.23 0.00 0.00 177.57 176.98 1r2u h ARG 83 N 0.00 0.00 -0.07 5.19 -0.00 0.92 -1.80 114.38 118.62 1r2u h ARG 83 Ca -0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 59.98 59.87 1r2u h ARG 83 Cb 1.14 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.10 1r2u h ARG 83 CO 0.08 0.06 -0.43 0.00 -0.00 0.00 0.00 179.97 179.68 1r2u n MET 85 N -4.02 4.53 -1.55 0.00 2.81 -0.68 -4.78 117.12 113.44 1r2u n MET 85 Ca -0.02 -4.68 -0.34 0.00 -1.81 0.00 0.00 57.70 50.85 1r2u n MET 85 Cb 0.48 -2.42 0.06 0.00 -0.71 0.00 0.00 33.22 30.63 1r2u n MET 85 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1r2u n LYS 86 N 0.33 2.83 -2.33 0.03 2.85 -1.22 -4.77 118.16 115.88 1r2u n LYS 86 Ca 0.37 -3.47 -0.20 0.00 -1.05 0.00 0.00 58.31 53.97 1r2u n LYS 86 Cb 0.32 -2.28 -0.02 0.00 -0.65 0.00 0.00 35.03 32.40 1r2u n LYS 86 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1r2u n ASP 87 N -0.81 -5.58 0.00 -5.58 -0.08 -1.26 -4.69 116.55 98.54 1r2u n ASP 87 Ca 0.58 0.06 0.00 0.00 -1.51 0.00 0.00 54.79 53.92 1r2u n ASP 87 Cb 0.62 -4.69 0.00 0.00 2.34 0.00 0.00 41.12 39.39 1r2u n ASP 87 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1r2u n ASP 88 N -1.91 -1.98 0.00 1.67 2.03 -1.26 -5.24 116.55 109.86 1r2u n ASP 88 Ca -0.23 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.08 1r2u n ASP 88 Cb 0.67 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.07 1r2u n ASP 88 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04