#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 5.59 -0.21 7.83 -0.87 -1.26 -5.05 114.94 120.97 1r2u s ASN 2 Ca 0.00 -0.34 0.10 0.00 -1.57 0.00 0.00 52.86 51.05 1r2u s ASN 2 Cb 0.00 -1.14 -0.20 0.00 -0.02 0.00 0.00 41.25 39.89 1r2u s ASN 2 CO 0.00 -0.35 -0.05 0.47 -2.57 0.00 0.00 177.10 174.60 1r2u n ASP 3 N -1.46 1.12 0.18 -1.22 9.92 -1.26 -4.28 116.55 119.56 1r2u n ASP 3 Ca -0.02 -0.06 0.11 0.00 -0.53 0.00 0.00 54.79 54.30 1r2u n ASP 3 Cb 0.59 0.38 0.11 0.00 -0.64 0.00 0.00 41.12 41.57 1r2u n ASP 3 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 1r2u h ILE 4 N 0.00 0.04 -0.05 0.53 -0.00 -1.96 -3.08 117.51 112.99 1r2u h ILE 4 Ca -0.52 -1.06 -0.10 0.00 -0.00 0.00 0.00 64.86 63.18 1r2u h ILE 4 Cb 2.02 1.88 -0.01 0.00 -0.00 0.00 0.00 36.82 40.71 1r2u h ILE 4 CO -0.02 0.02 -0.41 1.88 -0.00 0.00 0.00 178.15 179.63 1r2u h TYR 5 N 0.00 0.13 0.10 0.16 -1.99 -1.89 0.63 116.97 114.10 1r2u h TYR 5 Ca -0.00 -0.03 -0.25 0.00 2.00 0.00 0.00 58.73 60.45 1r2u h TYR 5 Cb 1.02 -0.03 0.02 0.00 2.00 0.00 0.00 36.73 39.75 1r2u h TYR 5 CO 0.00 0.50 -1.03 0.87 -0.00 0.00 0.00 178.16 178.51 1r2u h LYS 6 N 0.09 0.51 0.00 4.88 1.79 -1.74 -0.61 116.57 121.50 1r2u h LYS 6 Ca 0.01 -0.69 -0.09 0.00 -2.18 0.00 0.00 60.65 57.70 1r2u h LYS 6 Cb 0.76 0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 31.63 1r2u h LYS 6 CO 0.06 1.30 -0.41 0.00 -1.08 0.00 0.00 179.45 179.32 1r2u h ALA 7 N 0.25 1.02 0.05 3.86 0.00 -1.42 -3.11 119.26 119.92 1r2u h ALA 7 Ca -0.16 -0.37 -0.26 0.00 0.00 0.00 0.00 54.91 54.12 1r2u h ALA 7 Cb 1.74 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.44 1r2u h ALA 7 CO 0.20 0.51 -1.32 0.00 0.00 0.00 0.00 179.25 178.64 1r2u h ALA 8 N 1.59 0.38 -0.32 0.00 0.00 0.26 -3.31 119.26 117.85 1r2u h ALA 8 Ca -0.00 -1.07 0.05 0.00 0.00 0.00 0.00 54.91 53.89 1r2u h ALA 8 Cb 0.90 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1r2u h ALA 8 CO 0.05 1.25 0.22 -0.24 0.00 0.00 0.00 179.25 180.53 1r2u h VAL 9 N 0.03 0.95 0.00 0.00 3.04 -1.03 0.60 116.25 119.84 1r2u h VAL 9 Ca -0.14 -0.07 -0.06 0.00 -1.01 0.00 0.00 66.70 65.41 1r2u h VAL 9 Cb 1.91 0.72 -0.01 0.00 -2.01 0.00 0.00 31.29 31.90 1r2u h VAL 9 CO 0.14 0.04 -0.29 -0.33 -1.01 0.00 0.00 177.57 176.12 1r2u h GLU 10 N 0.21 0.00 0.08 4.17 5.08 -1.65 -2.63 114.58 119.84 1r2u h GLU 10 Ca 0.14 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.25 1r2u h GLU 10 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1r2u h GLU 10 CO -0.02 0.29 -1.15 1.96 -1.00 0.00 0.00 179.01 179.08 1r2u h GLN 11 N 0.00 0.17 -6.73 2.33 4.20 -1.06 -3.45 115.11 110.57 1r2u h GLN 11 Ca -0.00 -0.29 -0.52 0.00 0.06 0.00 0.00 58.65 57.89 1r2u h GLN 11 Cb 0.56 0.11 0.05 0.00 0.30 0.00 0.00 27.48 28.50 1r2u h GLN 11 CO 0.04 1.14 0.71 -0.51 -0.67 0.00 0.00 178.83 179.54 1r2u s LEU 12 N -6.98 4.40 0.37 1.46 1.43 -0.78 -5.02 118.68 113.55 1r2u s LEU 12 Ca -0.02 2.57 0.08 0.00 -1.03 0.00 0.00 54.13 55.73 1r2u s LEU 12 Cb 0.08 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 1r2u s LEU 12 CO 0.86 -0.63 0.21 0.42 0.23 0.00 0.00 176.35 177.44 1r2u s THR 13 N -0.02 2.89 0.42 5.49 -4.23 -1.26 -4.96 115.64 113.97 1r2u s THR 13 Ca 0.58 -1.59 0.10 0.00 -1.18 0.00 0.00 61.69 59.60 1r2u s THR 13 Cb -0.40 -3.01 0.22 0.00 1.34 0.00 0.00 72.50 70.65 1r2u s THR 13 CO 0.42 -0.11 2.01 0.44 -0.54 0.00 0.00 174.62 176.83 1r2u h ASP 14 N 1.39 0.27 -0.46 3.99 5.19 -1.98 -2.31 116.42 122.50 1r2u h ASP 14 Ca -0.43 -0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 55.94 1r2u h ASP 14 Cb 1.25 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 40.67 1r2u h ASP 14 CO 0.63 0.30 0.26 -0.33 -3.12 0.00 0.00 179.24 176.98 1r2u h GLU 15 N 0.30 0.64 -0.32 3.56 5.08 -1.98 0.25 114.58 122.11 1r2u h GLU 15 Ca 0.07 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1r2u h GLU 15 Cb 0.15 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1r2u h GLU 15 CO -0.00 0.49 0.18 1.96 -1.00 0.00 0.00 179.01 180.64 1r2u h GLN 16 N 0.61 0.44 -0.06 2.33 4.20 -1.83 -1.43 115.11 119.37 1r2u h GLN 16 Ca 0.16 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.76 1r2u h GLN 16 Cb 0.03 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1r2u h GLN 16 CO -0.03 0.36 -0.29 0.87 -0.67 0.00 0.00 178.83 179.08 1r2u h LYS 17 N 0.40 0.10 -0.21 1.46 6.56 -1.23 -0.66 116.57 122.99 1r2u h LYS 17 Ca 0.11 -0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.65 1r2u h LYS 17 Cb 0.04 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.68 1r2u h LYS 17 CO -0.02 0.38 0.07 -0.91 -2.06 0.00 0.00 179.45 176.91 1r2u h ASN 18 N 0.09 0.31 -0.48 0.86 2.35 0.11 0.35 115.58 119.18 1r2u h ASN 18 Ca 0.01 -0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 55.50 1r2u h ASN 18 Cb 0.56 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 1r2u h ASN 18 CO 0.04 0.43 0.05 -0.33 -1.65 0.00 0.00 177.43 175.98 1r2u h GLU 19 N 0.18 0.81 -0.79 0.81 5.08 -1.03 -1.37 114.58 118.27 1r2u h GLU 19 Ca 0.07 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 1r2u h GLU 19 Cb 0.23 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1r2u h GLU 19 CO -0.00 0.83 0.42 0.74 -1.00 0.00 0.00 179.01 180.00 1r2u h PHE 20 N 0.68 1.10 -0.55 4.33 -1.00 -0.93 0.20 116.94 120.77 1r2u h PHE 20 Ca 0.14 -0.03 -0.06 0.00 2.81 0.00 0.00 57.97 60.83 1r2u h PHE 20 Cb 0.43 -0.35 -0.02 0.00 3.61 0.00 0.00 35.95 39.62 1r2u h PHE 20 CO 0.03 0.78 0.10 -0.22 -1.61 0.00 0.00 178.31 177.39 1r2u h LYS 21 N 1.11 0.90 -0.28 1.51 1.63 -0.07 0.10 116.57 121.47 1r2u h LYS 21 Ca 0.28 -0.24 -0.06 0.00 -0.85 0.00 0.00 60.65 59.78 1r2u h LYS 21 Cb 0.05 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.57 1r2u h LYS 21 CO -0.04 0.87 -0.05 0.00 -3.45 0.00 0.00 179.45 176.78 1r2u h ALA 22 N 1.00 0.38 0.00 5.00 0.00 -0.89 0.40 119.26 125.15 1r2u h ALA 22 Ca 0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1r2u h ALA 22 Cb 0.40 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1r2u h ALA 22 CO 0.01 0.18 -0.09 0.00 0.00 0.00 0.00 179.25 179.35 1r2u h ALA 23 N 0.79 1.51 0.00 0.00 0.00 -0.46 -1.59 119.26 119.52 1r2u h ALA 23 Ca 0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1r2u h ALA 23 Cb 0.51 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1r2u h ALA 23 CO 0.02 0.11 -0.30 0.35 0.00 0.00 0.00 179.25 179.43 1r2u h PHE 24 N 0.00 0.00 -1.00 0.00 3.57 -0.58 -3.37 116.94 115.56 1r2u h PHE 24 Ca -0.00 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.66 1r2u h PHE 24 Cb 0.20 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 38.84 1r2u h PHE 24 CO 0.00 0.43 0.62 0.22 -2.23 0.00 0.00 178.31 177.35 1r2u h ASP 25 N -1.00 0.83 -0.81 0.41 3.58 -0.13 -0.34 116.42 118.96 1r2u h ASP 25 Ca -0.05 0.08 0.09 0.00 0.42 0.00 0.00 57.03 57.57 1r2u h ASP 25 Cb 0.53 -0.08 -0.06 0.00 1.72 0.00 0.00 39.33 41.44 1r2u h ASP 25 CO -0.03 0.36 0.53 0.16 -2.88 0.00 0.00 179.24 177.37 1r2u h ILE 26 N 0.84 0.96 0.00 2.25 3.07 -1.47 -1.17 117.51 122.00 1r2u h ILE 26 Ca 0.55 -0.26 -0.23 0.00 1.55 0.00 0.00 64.86 66.46 1r2u h ILE 26 Cb 0.75 0.13 -0.04 0.00 -0.27 0.00 0.00 36.82 37.39 1r2u h ILE 26 CO -0.33 0.14 -1.24 -0.26 -1.05 0.00 0.00 178.15 175.41 1r2u h PHE 27 N 0.77 0.00 -0.80 0.16 -1.00 -1.33 -3.32 116.94 111.41 1r2u h PHE 27 Ca 0.37 0.00 -0.47 0.00 2.81 0.00 0.00 57.97 60.68 1r2u h PHE 27 Cb 0.42 0.00 -0.19 0.00 3.61 0.00 0.00 35.95 39.79 1r2u h PHE 27 CO -0.00 0.97 0.56 -0.89 -1.61 0.00 0.00 178.31 177.35 1r2u n ILE 28 N -3.23 3.14 0.09 -0.55 2.08 -0.28 -4.41 119.36 116.19 1r2u n ILE 28 Ca -0.06 -2.37 -0.05 0.00 0.56 0.00 0.00 62.75 60.83 1r2u n ILE 28 Cb 0.97 -1.34 -0.02 0.00 -0.75 0.00 0.00 39.64 38.50 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 1.97 0.01 -0.04 0.38 3.07 -1.58 -3.38 115.11 115.55 1r2u h GLN 29 Ca 0.40 -0.01 -0.17 0.00 0.09 0.00 0.00 58.65 58.96 1r2u h GLN 29 Cb 0.80 0.00 -0.29 0.00 0.08 0.00 0.00 27.48 28.07 1r2u h GLN 29 CO 1.03 0.87 -0.77 -0.40 0.09 0.00 0.00 178.83 179.66 1r2u n ASP 30 N -3.51 0.28 -4.76 0.06 5.68 -1.26 -5.12 116.55 107.91 1r2u n ASP 30 Ca -0.01 -2.01 -0.35 0.00 -0.50 0.00 0.00 54.79 51.92 1r2u n ASP 30 Cb 0.83 -0.07 0.03 0.00 -1.14 0.00 0.00 41.12 40.77 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 -0.33 2.56 -0.08 2.12 0.00 -1.26 -4.98 121.76 119.80 1r2u s ALA 31 Ca 0.21 0.80 -0.21 0.00 0.00 0.00 0.00 51.96 52.76 1r2u s ALA 31 Cb 0.26 -3.38 -0.29 0.00 0.00 0.00 0.00 23.12 19.71 1r2u s ALA 31 CO -0.10 -1.07 0.78 0.93 0.00 0.00 0.00 175.76 176.30 1r2u h GLU 32 N 0.73 0.24 0.07 0.00 5.08 -1.98 -3.39 114.58 115.34 1r2u h GLU 32 Ca -0.49 -0.41 -0.37 0.00 -1.00 0.00 0.00 59.36 57.09 1r2u h GLU 32 Cb 1.27 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.64 1r2u h GLU 32 CO 0.55 1.20 -2.12 -0.25 -1.00 0.00 0.00 179.01 177.39 1r2u n ASP 33 N -4.15 1.87 0.00 1.42 9.92 -1.26 -5.03 116.55 119.32 1r2u n ASP 33 Ca -0.16 0.13 0.00 0.00 -0.53 0.00 0.00 54.79 54.22 1r2u n ASP 33 Cb 0.80 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 40.69 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 2.01 0.71 3.67 0.44 0.00 -1.26 -5.15 105.19 105.62 1r2u n GLY 34 Ca -0.34 -0.16 -0.08 0.00 0.00 0.00 0.00 46.02 45.43 1r2u n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r2u n ILE 36 N -0.40 0.00 -3.50 0.00 -6.64 -0.39 -4.81 119.36 103.62 1r2u n ILE 36 Ca -0.05 -1.74 -0.38 0.00 -1.77 0.00 0.00 62.75 58.81 1r2u n ILE 36 Cb 0.61 -0.46 -0.06 0.00 -1.44 0.00 0.00 39.64 38.29 1r2u n ILE 36 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 1r2u s SER 37 N -4.06 6.79 0.23 7.28 0.15 -1.26 0.29 113.70 123.11 1r2u s SER 37 Ca 0.47 0.94 -0.07 0.00 0.70 0.00 0.00 55.95 57.98 1r2u s SER 37 Cb -0.04 -2.25 0.28 0.00 -1.71 0.00 0.00 66.02 62.30 1r2u s SER 37 CO 0.30 0.31 1.84 0.71 1.20 0.00 0.00 173.24 177.60 1r2u h THR 38 N 3.78 1.04 0.00 6.45 1.35 -1.76 -0.19 112.91 123.59 1r2u h THR 38 Ca -0.51 -0.31 -0.03 0.00 -0.55 0.00 0.00 66.41 65.02 1r2u h THR 38 Cb 1.22 0.07 -0.00 0.00 -1.73 0.00 0.00 68.15 67.70 1r2u h THR 38 CO 0.62 0.16 -0.12 0.07 -0.25 0.00 0.00 175.52 176.01 1r2u h LYS 39 N 0.90 0.00 -0.04 4.72 2.10 -1.94 -2.76 116.57 119.54 1r2u h LYS 39 Ca 0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.99 1r2u h LYS 39 Cb 0.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 1r2u h LYS 39 CO -0.16 0.12 0.00 -1.91 -2.00 0.00 0.00 179.45 175.50 1r2u n GLU 40 N -3.24 1.33 -0.29 0.07 2.13 -0.11 -3.95 120.64 116.57 1r2u n GLU 40 Ca 0.01 -0.49 -0.00 0.00 0.66 0.00 0.00 57.16 57.34 1r2u n GLU 40 Cb 0.40 -1.41 0.19 0.00 0.27 0.00 0.00 31.44 30.88 1r2u n GLU 40 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1r2u h LEU 41 N 1.07 0.99 -2.74 4.31 6.46 -1.17 -0.07 115.31 124.16 1r2u h LEU 41 Ca 0.00 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.74 1r2u h LEU 41 Cb 0.23 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 39.92 1r2u h LEU 41 CO 0.00 0.72 -0.00 1.23 -0.62 0.00 0.00 178.44 179.76 1r2u h GLY 42 N 1.17 0.00 0.94 3.75 0.00 -1.82 -1.89 103.07 105.22 1r2u h GLY 42 Ca 0.32 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.32 1r2u h GLY 42 CO -0.07 0.00 -1.63 1.70 0.00 0.00 0.00 176.54 176.53 1r2u h LYS 43 N 0.00 0.41 -0.35 4.80 1.63 -1.29 -2.91 116.57 118.86 1r2u h LYS 43 Ca -0.00 -0.70 -0.12 0.00 -0.85 0.00 0.00 60.65 58.98 1r2u h LYS 43 Cb 0.08 0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 1r2u h LYS 43 CO 0.00 1.33 -0.28 -0.39 -3.45 0.00 0.00 179.45 176.67 1r2u h VAL 44 N 0.05 1.28 -0.14 2.00 -1.51 -1.09 -2.59 116.25 114.24 1r2u h VAL 44 Ca -0.32 -1.40 -0.15 0.00 -1.23 0.00 0.00 66.70 63.59 1r2u h VAL 44 Cb 2.06 1.30 -0.01 0.00 -2.13 0.00 0.00 31.29 32.52 1r2u h VAL 44 CO 0.19 0.46 -0.57 0.24 -1.23 0.00 0.00 177.57 176.66 1r2u h MET 45 N 0.63 0.45 -0.87 5.19 2.86 -1.50 -0.97 114.93 120.71 1r2u h MET 45 Ca 0.08 -0.29 -0.02 0.00 -2.06 0.00 0.00 59.70 57.41 1r2u h MET 45 Cb 0.79 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.45 1r2u h MET 45 CO 0.07 0.89 0.47 0.00 1.06 0.00 0.00 176.91 179.39 1r2u h ARG 46 N 0.34 1.21 0.07 1.72 3.08 -1.33 0.26 114.38 119.73 1r2u h ARG 46 Ca 0.00 -0.15 -0.25 0.00 0.07 0.00 0.00 59.98 59.65 1r2u h ARG 46 Cb 1.09 -0.24 0.01 0.00 0.08 0.00 0.00 29.97 30.91 1r2u h ARG 46 CO 0.10 0.89 -1.09 0.52 -1.07 0.00 0.00 179.97 179.32 1r2u h MET 47 N 1.22 0.37 -0.49 0.04 2.86 -1.37 -3.30 114.93 114.26 1r2u h MET 47 Ca 0.30 -0.49 -0.01 0.00 -2.06 0.00 0.00 59.70 57.44 1r2u h MET 47 Cb 0.04 0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1r2u h MET 47 CO -0.05 1.18 0.26 1.25 1.06 0.00 0.00 176.91 180.61 1r2u h LEU 48 N 0.17 0.62 0.00 1.22 5.85 -0.83 -3.46 115.31 118.87 1r2u h LEU 48 Ca -0.11 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1r2u h LEU 48 Cb 1.77 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.64 1r2u h LEU 48 CO 0.19 0.54 0.00 0.61 -0.34 0.00 0.00 178.44 179.44 1r2u n GLY 49 N -0.98 0.09 3.39 3.75 0.00 -0.29 -5.09 105.19 106.06 1r2u n GLY 49 Ca 0.02 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 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 1.00 -0.41 1.61 -0.21 -0.08 -5.01 119.66 116.56 1r2u s GLN 50 Ca 0.00 -0.18 0.04 0.00 0.02 0.00 0.00 55.36 55.24 1r2u s GLN 50 Cb 0.00 0.46 0.17 0.00 1.00 0.00 0.00 33.01 34.64 1r2u s GLN 50 CO 0.00 -0.35 0.36 -1.71 -2.12 0.00 0.00 175.29 171.47 1r2u n ASN 51 N 0.54 -0.56 -2.14 5.90 5.15 -1.26 -3.26 115.26 119.63 1r2u n ASN 51 Ca -0.19 -2.40 0.00 0.00 -0.60 0.00 0.00 54.58 51.39 1r2u n ASN 51 Cb 0.59 -0.48 0.00 0.00 -0.53 0.00 0.00 39.78 39.36 1r2u n ASN 51 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1r2u n PRO 52 N 2.77 0.35 -4.12 1.20 -0.04 -1.26 -5.12 135.00 128.78 1r2u n PRO 52 Ca 0.29 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.48 1r2u n PRO 52 Cb 0.49 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.91 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 -0.56 1.72 0.11 0.52 -4.23 -1.26 -4.98 115.64 106.96 1r2u s THR 53 Ca 0.00 -1.64 0.14 0.00 -1.18 0.00 0.00 61.69 59.01 1r2u s THR 53 Cb 0.00 -2.36 0.03 0.00 1.34 0.00 0.00 72.50 71.51 1r2u s THR 53 CO 0.00 0.00 1.57 1.55 -0.54 0.00 0.00 174.62 177.20 1r2u h PRO 54 N 1.03 0.00 0.06 3.99 0.13 -2.00 -1.96 132.00 133.26 1r2u h PRO 54 Ca -0.40 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.47 1r2u h PRO 54 Cb 1.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 1r2u h PRO 54 CO 0.64 0.55 -1.32 1.05 -0.23 0.00 0.00 178.00 178.68 1r2u h GLU 55 N 0.00 0.13 0.13 0.86 4.11 -1.99 -2.98 114.58 114.84 1r2u h GLU 55 Ca -0.01 -0.23 -0.01 0.00 0.07 0.00 0.00 59.36 59.19 1r2u h GLU 55 Cb 1.18 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1r2u h GLU 55 CO 0.07 1.00 -0.06 1.49 0.07 0.00 0.00 179.01 181.58 1r2u h GLU 56 N 0.04 -0.17 -0.59 1.06 4.81 -1.96 -3.04 114.58 114.73 1r2u h GLU 56 Ca -0.15 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1r2u h GLU 56 Cb 1.92 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 31.31 1r2u h GLU 56 CO 0.15 0.30 0.39 1.25 -0.73 0.00 0.00 179.01 180.37 1r2u h LEU 57 N -0.85 0.49 -0.66 1.64 6.46 -1.51 -1.70 115.31 119.18 1r2u h LEU 57 Ca -0.02 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.74 1r2u h LEU 57 Cb 0.54 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.34 1r2u h LEU 57 CO 0.03 0.32 0.39 -0.61 -0.62 0.00 0.00 178.44 177.95 1r2u h GLN 58 N 0.56 0.90 -0.71 1.25 5.75 -1.56 -1.40 115.11 119.88 1r2u h GLN 58 Ca 0.26 -0.08 0.04 0.00 -0.15 0.00 0.00 58.65 58.71 1r2u h GLN 58 Cb 0.30 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 28.62 1r2u h GLN 58 CO -0.07 0.64 0.47 0.93 -2.65 0.00 0.00 178.83 178.15 1r2u h GLU 59 N 0.89 0.81 -0.03 1.69 4.39 -1.18 -2.10 114.58 119.06 1r2u h GLU 59 Ca 0.24 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 1r2u h GLU 59 Cb -0.02 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.45 1r2u h GLU 59 CO -0.04 0.54 -0.03 0.52 -1.16 0.00 0.00 179.01 178.83 1r2u h MET 60 N 0.83 0.07 0.02 2.33 2.86 -1.25 -2.55 114.93 117.24 1r2u h MET 60 Ca 0.29 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1r2u h MET 60 Cb 0.10 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1r2u h MET 60 CO -0.09 0.54 -0.08 0.82 1.06 0.00 0.00 176.91 179.17 1r2u h ILE 61 N -0.39 0.00 -1.00 -1.22 2.04 -0.85 0.15 117.51 116.24 1r2u h ILE 61 Ca 0.00 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.07 1r2u h ILE 61 Cb 0.53 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.50 1r2u h ILE 61 CO 0.01 0.00 0.61 -0.78 0.00 0.00 0.00 178.15 177.99 1r2u h ASP 62 N -0.11 0.72 -0.15 1.72 3.58 -1.53 0.42 116.42 121.07 1r2u h ASP 62 Ca -0.00 0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.52 1r2u h ASP 62 Cb 0.11 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 1r2u h ASP 62 CO -0.04 0.22 -0.01 -0.33 -2.88 0.00 0.00 179.24 176.20 1r2u h GLU 63 N 0.68 0.28 0.00 0.28 4.39 -1.06 -3.12 114.58 116.02 1r2u h GLU 63 Ca 0.59 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 60.20 1r2u h GLU 63 Cb 1.03 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1r2u h GLU 63 CO -0.38 0.52 0.00 -0.39 -1.16 0.00 0.00 179.01 177.59 1r2u h VAL 64 N 0.01 0.00 -0.69 3.13 -1.51 0.11 -3.41 116.25 113.89 1r2u h VAL 64 Ca 0.04 -0.72 -0.39 0.00 -1.23 0.00 0.00 66.70 64.40 1r2u h VAL 64 Cb 0.40 1.72 -0.05 0.00 -2.13 0.00 0.00 31.29 31.22 1r2u h VAL 64 CO 0.01 0.00 1.11 -0.62 -1.23 0.00 0.00 177.57 176.84 1r2u s ASP 65 N -5.38 5.45 0.20 4.19 -1.08 0.14 -4.63 116.67 115.57 1r2u s ASP 65 Ca 0.08 -1.32 0.03 0.00 -0.52 0.00 0.00 52.55 50.82 1r2u s ASP 65 Cb 0.09 -2.57 0.13 0.00 -1.46 0.00 0.00 42.92 39.11 1r2u s ASP 65 CO 0.62 -2.55 1.48 -0.33 0.52 0.00 0.00 175.17 174.91 1r2u h GLU 66 N 10.14 0.25 0.14 4.34 4.39 -1.85 -3.31 114.58 128.69 1r2u h GLU 66 Ca 0.19 -0.21 -0.35 0.00 0.34 0.00 0.00 59.36 59.33 1r2u h GLU 66 Cb 0.97 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 1r2u h GLU 66 CO 1.27 0.86 -1.82 0.38 -1.16 0.00 0.00 179.01 178.54 1r2u h ASP 67 N 0.17 0.46 -2.74 1.42 3.04 -1.96 -3.49 116.42 113.32 1r2u h ASP 67 Ca -0.02 -0.83 -0.12 0.00 -3.24 0.00 0.00 57.03 52.82 1r2u h ASP 67 Cb 1.27 -0.15 0.05 0.00 -1.04 0.00 0.00 39.33 39.45 1r2u h ASP 67 CO 0.11 1.72 -0.23 0.61 -2.04 0.00 0.00 179.24 179.41 1r2u n GLY 68 N 1.87 0.39 0.11 7.15 0.00 -1.25 -4.99 105.19 108.47 1r2u n GLY 68 Ca -0.26 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.49 1.88 0.00 1.61 3.41 -1.26 -5.03 113.62 113.74 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 0.53 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 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 0.83 3.76 5.00 0.00 -1.26 -5.14 105.19 109.79 1r2u n GLY 70 Ca -0.34 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 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 4.41 -0.31 2.61 -4.23 -1.26 -2.18 115.64 114.69 1r2u s THR 71 Ca 0.00 -0.82 -0.11 0.00 -1.18 0.00 0.00 61.69 59.58 1r2u s THR 71 Cb 0.00 -3.12 -0.02 0.00 1.34 0.00 0.00 72.50 70.70 1r2u s THR 71 CO 0.00 0.12 0.18 -0.69 -0.54 0.00 0.00 174.62 173.69 1r2u s VAL 72 N -1.38 4.88 0.87 2.29 1.01 0.15 -4.83 120.40 123.39 1r2u s VAL 72 Ca 0.28 -0.26 -0.09 0.00 0.00 0.00 0.00 61.98 61.91 1r2u s VAL 72 Cb -0.12 -3.46 0.18 0.00 0.00 0.00 0.00 36.38 32.98 1r2u s VAL 72 CO 0.21 0.09 1.19 -1.81 0.00 0.00 0.00 175.10 174.78 1r2u s ASP 73 N 1.67 3.55 0.34 3.32 1.01 -1.26 -1.27 116.67 124.03 1r2u s ASP 73 Ca 0.05 -0.09 0.10 0.00 0.71 0.00 0.00 52.55 53.33 1r2u s ASP 73 Cb -0.17 -0.05 0.63 0.00 1.01 0.00 0.00 42.92 44.34 1r2u s ASP 73 CO 0.08 -2.42 1.79 0.15 0.21 0.00 0.00 175.17 174.98 1r2u h PHE 74 N -1.19 0.13 -0.55 4.23 3.57 -1.98 0.29 116.94 121.44 1r2u h PHE 74 Ca -0.40 -0.03 -0.09 0.00 3.53 0.00 0.00 57.97 60.98 1r2u h PHE 74 Cb 1.24 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.93 1r2u h PHE 74 CO -0.83 0.46 -0.02 -0.44 -2.23 0.00 0.00 178.31 175.25 1r2u h ASP 75 N 0.10 0.93 1.65 0.41 5.19 -1.99 0.13 116.42 122.84 1r2u h ASP 75 Ca 0.01 -0.26 -0.06 0.00 -0.62 0.00 0.00 57.03 56.10 1r2u h ASP 75 Cb 0.69 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.94 1r2u h ASP 75 CO 0.05 1.00 -0.35 -0.33 -3.12 0.00 0.00 179.24 176.49 1r2u h GLU 76 N 0.87 0.00 0.02 3.56 5.08 -1.72 -2.71 114.58 119.69 1r2u h GLU 76 Ca 0.16 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.28 1r2u h GLU 76 Cb 0.54 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.80 1r2u h GLU 76 CO 0.03 0.26 -1.00 0.35 -1.00 0.00 0.00 179.01 177.65 1r2u h PHE 77 N 0.00 0.66 0.09 4.33 3.57 0.12 -3.24 116.94 122.47 1r2u h PHE 77 Ca -0.01 -0.37 -0.20 0.00 3.53 0.00 0.00 57.97 60.92 1r2u h PHE 77 Cb 1.22 -0.07 0.02 0.00 2.79 0.00 0.00 35.95 39.91 1r2u h PHE 77 CO 0.00 1.21 -0.84 -0.07 -2.23 0.00 0.00 178.31 176.38 1r2u h LEU 78 N 0.23 0.58 -2.05 0.59 3.38 -0.80 -3.28 115.31 113.96 1r2u h LEU 78 Ca -0.10 -0.86 0.11 0.00 0.09 0.00 0.00 57.88 57.13 1r2u h LEU 78 Cb 1.65 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.20 1r2u h LEU 78 CO 0.18 1.38 0.33 -0.37 0.09 0.00 0.00 178.44 180.05 1r2u h VAL 79 N -0.14 0.62 -1.20 1.22 -1.51 -1.60 -2.01 116.25 111.63 1r2u h VAL 79 Ca -0.13 0.00 0.34 0.00 -1.23 0.00 0.00 66.70 65.68 1r2u h VAL 79 Cb 1.59 0.76 -0.06 0.00 -2.13 0.00 0.00 31.29 31.45 1r2u h VAL 79 CO 0.16 0.00 0.84 0.24 -1.23 0.00 0.00 177.57 177.58 1r2u h MET 80 N 0.00 0.08 0.01 5.19 2.86 -1.62 0.40 114.93 121.84 1r2u h MET 80 Ca 0.19 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 1r2u h MET 80 Cb 0.84 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.49 1r2u h MET 80 CO -0.00 0.05 -0.08 0.52 1.06 0.00 0.00 176.91 178.46 1r2u h MET 81 N 0.08 0.05 -0.11 1.72 2.07 -1.60 -3.35 114.93 113.79 1r2u h MET 81 Ca 0.60 -0.06 -0.16 0.00 -2.07 0.00 0.00 59.70 58.01 1r2u h MET 81 Cb 2.20 0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 31.94 1r2u h MET 81 CO -0.08 0.90 -0.62 -0.39 1.07 0.00 0.00 176.91 177.79 1r2u h VAL 82 N -0.78 1.36 -0.20 -2.22 -1.51 -1.34 -3.13 116.25 108.43 1r2u h VAL 82 Ca -0.01 -1.95 0.06 0.00 -1.23 0.00 0.00 66.70 63.56 1r2u h VAL 82 Cb 0.93 1.95 -0.01 0.00 -2.13 0.00 0.00 31.29 32.03 1r2u h VAL 82 CO 0.02 0.59 0.27 0.08 -1.23 0.00 0.00 177.57 177.30 1r2u h ARG 83 N 0.29 0.00 -0.76 5.19 0.11 -0.41 -0.81 114.38 117.99 1r2u h ARG 83 Ca -0.01 0.00 0.02 0.00 0.10 0.00 0.00 59.98 60.10 1r2u h ARG 83 Cb 1.15 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.19 1r2u h ARG 83 CO 0.11 0.00 0.50 0.00 0.10 0.00 0.00 179.97 180.68 1r2u h MET 85 N 0.97 0.64 -6.98 0.00 4.05 -1.35 -3.44 114.93 108.82 1r2u h MET 85 Ca 0.30 -0.23 -0.53 0.00 -0.28 0.00 0.00 59.70 58.95 1r2u h MET 85 Cb -0.01 -0.04 0.10 0.00 -0.80 0.00 0.00 31.60 30.84 1r2u h MET 85 CO -0.08 0.79 0.63 0.15 0.23 0.00 0.00 176.91 178.64 1r2u s LYS 86 N -4.62 3.76 -0.31 0.39 1.02 -0.65 -4.96 119.74 114.38 1r2u s LYS 86 Ca -0.08 2.23 0.11 0.00 0.02 0.00 0.00 55.97 58.25 1r2u s LYS 86 Cb 0.14 -2.64 0.47 0.00 -0.52 0.00 0.00 37.83 35.27 1r2u s LYS 86 CO 0.81 -0.69 1.14 -0.25 -0.92 0.00 0.00 175.35 175.44 1r2u n ASP 87 N -0.16 3.83 -3.61 2.83 8.00 -1.26 -4.96 116.55 121.22 1r2u n ASP 87 Ca 0.05 -3.25 -0.22 0.00 0.71 0.00 0.00 54.79 52.09 1r2u n ASP 87 Cb 0.43 -0.41 0.04 0.00 -0.02 0.00 0.00 41.12 41.17 1r2u n ASP 87 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1r2u n ASP 88 N -0.60 -2.70 -0.36 -2.24 8.00 -1.26 -5.27 116.55 112.11 1r2u n ASP 88 Ca 0.32 -0.82 0.04 0.00 0.71 0.00 0.00 54.79 55.04 1r2u n ASP 88 Cb 0.87 -4.20 0.04 0.00 -0.02 0.00 0.00 41.12 37.80 1r2u n ASP 88 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61