#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 6.63 0.00 7.83 3.84 -1.26 -4.99 114.94 127.00 1r2u s ASN 2 Ca 0.00 0.75 0.23 0.00 0.21 0.00 0.00 52.86 54.05 1r2u s ASN 2 Cb 0.00 -2.19 0.45 0.00 -0.55 0.00 0.00 41.25 38.96 1r2u s ASN 2 CO 0.00 0.31 1.41 -0.67 -2.79 0.00 0.00 177.10 175.37 1r2u n ASP 3 N 2.15 3.36 0.21 -4.21 2.03 -1.26 -4.26 116.55 114.57 1r2u n ASP 3 Ca -0.15 -1.98 0.08 0.00 0.52 0.00 0.00 54.79 53.25 1r2u n ASP 3 Cb 0.53 -0.24 0.46 0.00 -0.72 0.00 0.00 41.12 41.16 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 4.36 0.82 -0.03 5.18 -0.00 -1.94 -2.18 117.51 123.71 1r2u h ILE 4 Ca 0.00 -1.15 -0.15 0.00 -0.00 0.00 0.00 64.86 63.56 1r2u h ILE 4 Cb 0.96 1.70 -0.01 0.00 -0.00 0.00 0.00 36.82 39.47 1r2u h ILE 4 CO 0.00 0.28 -0.67 1.88 -0.00 0.00 0.00 178.15 179.64 1r2u h TYR 5 N 0.00 0.21 -0.02 0.16 0.05 -1.84 0.12 116.97 115.64 1r2u h TYR 5 Ca -0.00 -0.09 -0.24 0.00 0.05 0.00 0.00 58.73 58.45 1r2u h TYR 5 Cb 0.68 -0.03 0.02 0.00 1.01 0.00 0.00 36.73 38.40 1r2u h TYR 5 CO 0.00 0.77 -0.93 0.87 -1.05 0.00 0.00 178.16 177.83 1r2u h LYS 6 N 0.11 0.67 0.00 4.88 1.79 -1.74 0.13 116.57 122.41 1r2u h LYS 6 Ca -0.01 -0.69 -0.09 0.00 -2.18 0.00 0.00 60.65 57.68 1r2u h LYS 6 Cb 1.19 0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 32.02 1r2u h LYS 6 CO 0.10 1.28 -0.43 0.00 -1.08 0.00 0.00 179.45 179.31 1r2u h ALA 7 N 0.41 0.87 0.09 3.86 0.00 -1.38 -3.24 119.26 119.87 1r2u h ALA 7 Ca -0.11 -0.39 -0.30 0.00 0.00 0.00 0.00 54.91 54.11 1r2u h ALA 7 Cb 1.59 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 1r2u h ALA 7 CO 0.18 0.54 -1.57 0.00 0.00 0.00 0.00 179.25 178.41 1r2u h ALA 8 N 1.57 0.39 -0.24 0.00 0.00 -0.74 -3.33 119.26 116.89 1r2u h ALA 8 Ca -0.00 -1.19 -0.00 0.00 0.00 0.00 0.00 54.91 53.72 1r2u h ALA 8 Cb 1.07 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1r2u h ALA 8 CO 0.06 1.25 0.14 -0.24 0.00 0.00 0.00 179.25 180.45 1r2u h VAL 9 N 0.05 1.07 0.00 0.00 3.04 -0.99 -0.37 116.25 119.05 1r2u h VAL 9 Ca -0.25 -0.17 -0.05 0.00 -1.01 0.00 0.00 66.70 65.22 1r2u h VAL 9 Cb 2.00 0.74 -0.01 0.00 -2.01 0.00 0.00 31.29 32.01 1r2u h VAL 9 CO 0.14 0.08 -0.25 -0.33 -1.01 0.00 0.00 177.57 176.20 1r2u h GLU 10 N 0.33 0.00 0.00 4.17 5.08 -1.67 -2.93 114.58 119.56 1r2u h GLU 10 Ca 0.09 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.26 1r2u h GLU 10 Cb -0.01 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1r2u h GLU 10 CO -0.02 0.25 -0.89 1.96 -1.00 0.00 0.00 179.01 179.31 1r2u h GLN 11 N 0.00 0.00 -6.52 2.33 4.20 -1.19 -3.45 115.11 110.48 1r2u h GLN 11 Ca -0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 1r2u h GLN 11 Cb 0.77 0.00 0.04 0.00 0.30 0.00 0.00 27.48 28.59 1r2u h GLN 11 CO 0.03 0.89 1.04 -0.51 -0.67 0.00 0.00 178.83 179.61 1r2u s LEU 12 N -6.68 4.38 0.58 1.46 1.43 -0.94 -4.99 118.68 113.93 1r2u s LEU 12 Ca 0.02 2.68 -0.02 0.00 -1.03 0.00 0.00 54.13 55.77 1r2u s LEU 12 Cb 0.10 -3.57 0.03 0.00 0.03 0.00 0.00 46.19 42.77 1r2u s LEU 12 CO 0.80 -0.95 0.84 0.42 0.23 0.00 0.00 176.35 177.70 1r2u s THR 13 N 2.32 2.97 0.34 5.49 -4.23 -1.26 -4.99 115.64 116.28 1r2u s THR 13 Ca 0.77 -0.42 0.09 0.00 -1.18 0.00 0.00 61.69 60.94 1r2u s THR 13 Cb -0.44 -3.16 0.09 0.00 1.34 0.00 0.00 72.50 70.32 1r2u s THR 13 CO 0.34 -0.14 1.79 0.44 -0.54 0.00 0.00 174.62 176.52 1r2u h ASP 14 N -0.08 0.19 -0.62 3.99 3.32 -1.99 -2.76 116.42 118.47 1r2u h ASP 14 Ca -0.44 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 56.48 1r2u h ASP 14 Cb 1.29 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.76 1r2u h ASP 14 CO 0.57 0.51 0.13 1.05 -1.72 0.00 0.00 179.24 179.78 1r2u h GLU 15 N 0.17 1.01 -0.34 3.56 4.11 -1.98 0.22 114.58 121.32 1r2u h GLU 15 Ca 0.02 -0.25 -0.06 0.00 0.07 0.00 0.00 59.36 59.14 1r2u h GLU 15 Cb 0.64 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1r2u h GLU 15 CO 0.05 0.92 -0.05 -0.56 0.07 0.00 0.00 179.01 179.44 1r2u h GLN 16 N 0.92 0.55 0.02 1.06 -0.00 -1.89 -1.64 115.11 114.14 1r2u h GLN 16 Ca 0.19 -0.14 -0.21 0.00 -0.00 0.00 0.00 58.65 58.50 1r2u h GLN 16 Cb 0.38 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.48 27.77 1r2u h GLN 16 CO 0.01 0.61 -0.97 0.87 -0.00 0.00 0.00 178.83 179.34 1r2u h LYS 17 N 0.52 0.10 -0.42 0.06 6.56 -1.23 -2.08 116.57 120.07 1r2u h LYS 17 Ca 0.10 -0.14 -0.03 0.00 -1.06 0.00 0.00 60.65 59.53 1r2u h LYS 17 Cb 0.41 0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 32.10 1r2u h LYS 17 CO 0.02 0.99 0.16 -0.91 -2.06 0.00 0.00 179.45 177.65 1r2u h ASN 18 N 0.04 0.58 -0.29 0.86 2.35 -0.10 0.22 115.58 119.24 1r2u h ASN 18 Ca -0.04 -0.18 -0.14 0.00 -0.55 0.00 0.00 56.30 55.39 1r2u h ASN 18 Cb 1.67 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 39.89 1r2u h ASN 18 CO 0.14 0.60 -0.37 -0.33 -1.65 0.00 0.00 177.43 175.82 1r2u h GLU 19 N 0.53 0.76 -0.83 0.81 5.08 -1.36 -2.15 114.58 117.42 1r2u h GLU 19 Ca 0.14 -0.43 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 1r2u h GLU 19 Cb 0.21 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1r2u h GLU 19 CO -0.01 1.06 0.38 0.74 -1.00 0.00 0.00 179.01 180.18 1r2u h PHE 20 N 0.52 1.21 -0.41 4.33 -1.00 -1.20 0.34 116.94 120.73 1r2u h PHE 20 Ca 0.04 -0.07 -0.13 0.00 2.81 0.00 0.00 57.97 60.62 1r2u h PHE 20 Cb 0.96 -0.37 -0.01 0.00 3.61 0.00 0.00 35.95 40.14 1r2u h PHE 20 CO 0.07 0.88 -0.25 -0.22 -1.61 0.00 0.00 178.31 177.19 1r2u h LYS 21 N 1.19 0.90 -0.17 1.51 1.63 -0.54 -1.28 116.57 119.80 1r2u h LYS 21 Ca 0.28 -0.41 -0.08 0.00 -0.85 0.00 0.00 60.65 59.59 1r2u h LYS 21 Cb 0.14 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1r2u h LYS 21 CO -0.03 1.07 -0.21 0.00 -3.45 0.00 0.00 179.45 176.83 1r2u h ALA 22 N 0.81 0.25 0.00 5.00 0.00 -1.12 0.79 119.26 125.00 1r2u h ALA 22 Ca 0.09 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1r2u h ALA 22 Cb 0.82 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1r2u h ALA 22 CO 0.07 0.19 -0.10 0.00 0.00 0.00 0.00 179.25 179.41 1r2u h ALA 23 N 0.61 1.29 0.00 0.00 0.00 -0.32 -1.63 119.26 119.21 1r2u h ALA 23 Ca 0.02 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1r2u h ALA 23 Cb 0.76 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1r2u h ALA 23 CO 0.05 0.12 -0.50 0.35 0.00 0.00 0.00 179.25 179.27 1r2u h PHE 24 N 0.00 0.00 -0.98 0.00 3.04 -1.08 -3.38 116.94 114.54 1r2u h PHE 24 Ca -0.00 0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.03 1r2u h PHE 24 Cb 0.29 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 38.73 1r2u h PHE 24 CO 0.00 0.85 0.63 0.22 -2.02 0.00 0.00 178.31 177.99 1r2u h ASP 25 N -1.00 0.97 -0.91 0.41 1.82 -0.75 -1.17 116.42 115.79 1r2u h ASP 25 Ca -0.12 0.02 0.15 0.00 -0.39 0.00 0.00 57.03 56.70 1r2u h ASP 25 Cb 0.86 -0.18 -0.07 0.00 0.68 0.00 0.00 39.33 40.62 1r2u h ASP 25 CO -0.07 0.58 0.58 0.16 -1.61 0.00 0.00 179.24 178.88 1r2u h ILE 26 N 1.08 0.81 0.01 2.25 3.07 -1.47 0.13 117.51 123.39 1r2u h ILE 26 Ca 0.45 -0.24 -0.24 0.00 1.55 0.00 0.00 64.86 66.38 1r2u h ILE 26 Cb 0.30 0.07 -0.03 0.00 -0.27 0.00 0.00 36.82 36.88 1r2u h ILE 26 CO -0.20 0.13 -1.27 -0.26 -1.05 0.00 0.00 178.15 175.50 1r2u h PHE 27 N 0.69 0.03 -0.68 0.16 0.04 -1.52 -3.30 116.94 112.36 1r2u h PHE 27 Ca 0.46 -0.02 -0.38 0.00 2.80 0.00 0.00 57.97 60.83 1r2u h PHE 27 Cb 0.77 -0.00 -0.21 0.00 2.20 0.00 0.00 35.95 38.70 1r2u h PHE 27 CO -0.00 1.03 0.48 -0.89 -0.60 0.00 0.00 178.31 178.33 1r2u n ILE 28 N -3.26 2.64 0.12 -0.55 2.08 -0.12 -4.37 119.36 115.90 1r2u n ILE 28 Ca -0.07 -1.49 -0.01 0.00 0.56 0.00 0.00 62.75 61.74 1r2u n ILE 28 Cb 0.98 -0.77 0.24 0.00 -0.75 0.00 0.00 39.64 39.34 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 0.89 0.16 -0.18 0.38 3.07 -1.22 -3.36 115.11 114.85 1r2u h GLN 29 Ca 0.43 -0.08 -0.21 0.00 0.09 0.00 0.00 58.65 58.89 1r2u h GLN 29 Cb 1.99 0.00 -0.23 0.00 0.08 0.00 0.00 27.48 29.32 1r2u h GLN 29 CO 0.83 0.57 -0.56 -3.47 0.09 0.00 0.00 178.83 176.29 1r2u n ASP 30 N -4.00 -0.58 -4.79 0.06 2.03 -1.26 -5.13 116.55 102.88 1r2u n ASP 30 Ca -0.02 -2.24 -0.34 0.00 0.52 0.00 0.00 54.79 52.71 1r2u n ASP 30 Cb 0.49 0.36 0.00 0.00 -0.72 0.00 0.00 41.12 41.25 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 -1.07 2.73 -0.04 -1.67 0.00 -1.26 -4.99 121.76 115.47 1r2u s ALA 31 Ca 0.17 0.58 -0.25 0.00 0.00 0.00 0.00 51.96 52.46 1r2u s ALA 31 Cb 0.41 -3.28 -0.20 0.00 0.00 0.00 0.00 23.12 20.06 1r2u s ALA 31 CO -0.09 -0.72 1.12 0.93 0.00 0.00 0.00 175.76 177.00 1r2u h GLU 32 N 0.89 -0.08 0.08 0.00 5.08 -1.97 -3.37 114.58 115.22 1r2u h GLU 32 Ca -0.48 0.01 -0.36 0.00 -1.00 0.00 0.00 59.36 57.52 1r2u h GLU 32 Cb 1.23 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 1r2u h GLU 32 CO 0.57 0.43 -2.05 -0.25 -1.00 0.00 0.00 179.01 176.72 1r2u n ASP 33 N -4.87 1.85 0.00 1.42 8.00 -1.26 -5.02 116.55 116.67 1r2u n ASP 33 Ca -0.09 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.59 1r2u n ASP 33 Cb 0.28 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 1r2u n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r2u n GLY 34 N 1.97 0.92 3.73 0.44 0.00 -1.26 -5.14 105.19 105.83 1r2u n GLY 34 Ca -0.32 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.42 0.00 -3.57 0.00 -6.64 -0.67 -4.84 119.36 103.22 1r2u n ILE 36 Ca -0.03 -1.91 -0.35 0.00 -1.77 0.00 0.00 62.75 58.68 1r2u n ILE 36 Cb 0.60 -0.44 -0.06 0.00 -1.44 0.00 0.00 39.64 38.31 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 -4.40 6.67 0.16 7.28 0.15 -1.26 0.50 113.70 122.79 1r2u s SER 37 Ca 0.53 0.81 -0.16 0.00 0.70 0.00 0.00 55.95 57.84 1r2u s SER 37 Cb -0.04 -2.19 0.08 0.00 -1.71 0.00 0.00 66.02 62.16 1r2u s SER 37 CO 0.34 0.21 1.74 0.71 1.20 0.00 0.00 173.24 177.44 1r2u h THR 38 N 3.06 0.85 0.00 6.45 1.35 -1.80 0.18 112.91 123.00 1r2u h THR 38 Ca -0.50 -0.09 -0.02 0.00 -0.55 0.00 0.00 66.41 65.25 1r2u h THR 38 Cb 1.20 0.58 -0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1r2u h THR 38 CO 0.65 0.05 -0.11 0.07 -0.25 0.00 0.00 175.52 175.92 1r2u h LYS 39 N 0.25 0.00 -0.00 4.72 2.10 -1.94 -1.98 116.57 119.71 1r2u h LYS 39 Ca 0.18 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.83 1r2u h LYS 39 Cb 0.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.51 1r2u h LYS 39 CO -0.21 0.11 -0.00 -1.91 -2.00 0.00 0.00 179.45 175.45 1r2u n GLU 40 N -3.43 0.80 -0.20 0.07 2.13 0.02 -3.69 120.64 116.34 1r2u n GLU 40 Ca -0.01 -0.02 0.01 0.00 0.66 0.00 0.00 57.16 57.80 1r2u n GLU 40 Cb 0.28 -1.50 0.26 0.00 0.27 0.00 0.00 31.44 30.75 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 0.04 0.83 -2.35 4.31 5.85 -0.98 0.17 115.31 123.20 1r2u h LEU 41 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1r2u h LEU 41 Cb 0.12 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1r2u h LEU 41 CO 0.00 0.61 0.00 1.23 -0.34 0.00 0.00 178.44 179.94 1r2u h GLY 42 N 0.99 0.00 0.85 3.75 0.00 -1.80 -1.63 103.07 105.23 1r2u h GLY 42 Ca 0.26 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.26 1r2u h GLY 42 CO -0.06 0.00 -1.70 0.50 0.00 0.00 0.00 176.54 175.28 1r2u h LYS 43 N 0.00 0.37 -0.28 4.80 1.79 -1.22 -3.04 116.57 118.99 1r2u h LYS 43 Ca 0.00 -0.63 -0.15 0.00 -2.18 0.00 0.00 60.65 57.68 1r2u h LYS 43 Cb 0.19 0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 31.06 1r2u h LYS 43 CO 0.00 1.30 -0.44 -0.39 -1.08 0.00 0.00 179.45 178.85 1r2u h VAL 44 N 0.04 1.29 -0.11 0.50 -1.51 -1.08 -2.94 116.25 112.44 1r2u h VAL 44 Ca -0.34 -1.62 -0.12 0.00 -1.23 0.00 0.00 66.70 63.39 1r2u h VAL 44 Cb 2.04 1.54 -0.01 0.00 -2.13 0.00 0.00 31.29 32.73 1r2u h VAL 44 CO 0.16 0.52 -0.46 0.24 -1.23 0.00 0.00 177.57 176.80 1r2u h MET 45 N 0.58 0.27 -0.80 5.19 2.86 -1.46 -2.50 114.93 119.06 1r2u h MET 45 Ca 0.04 -0.14 0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1r2u h MET 45 Cb 0.99 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.61 1r2u h MET 45 CO 0.09 0.67 0.52 0.00 1.06 0.00 0.00 176.91 179.26 1r2u h ARG 46 N 0.22 1.01 -0.19 1.72 3.08 -1.39 -0.30 114.38 118.53 1r2u h ARG 46 Ca 0.01 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 59.86 1r2u h ARG 46 Cb 0.89 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1r2u h ARG 46 CO 0.07 0.67 -0.48 0.52 -1.07 0.00 0.00 179.97 179.68 1r2u h MET 47 N 1.04 0.49 0.59 0.04 2.86 -1.35 -3.28 114.93 115.32 1r2u h MET 47 Ca 0.31 -0.28 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1r2u h MET 47 Cb -0.06 0.02 0.01 0.00 0.06 0.00 0.00 31.60 31.62 1r2u h MET 47 CO -0.09 0.86 -0.28 -0.07 1.06 0.00 0.00 176.91 178.39 1r2u h LEU 48 N 0.39 -0.67 0.00 1.22 3.38 -0.93 -3.47 115.31 115.23 1r2u h LEU 48 Ca 0.02 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1r2u h LEU 48 Cb 0.99 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1r2u h LEU 48 CO 0.09 -0.35 0.00 0.61 0.09 0.00 0.00 178.44 178.88 1r2u n GLY 49 N -0.83 -0.44 3.43 0.83 0.00 -0.19 -5.11 105.19 102.88 1r2u n GLY 49 Ca -0.12 0.09 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.83 -5.02 119.66 115.67 1r2u s GLN 50 Ca 0.00 0.14 0.05 0.00 0.02 0.00 0.00 55.36 55.57 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 0.40 -1.71 -2.12 0.00 0.00 175.29 171.59 1r2u n ASN 51 N 1.10 0.27 -2.10 5.90 2.85 -1.26 -3.35 115.26 118.68 1r2u n ASN 51 Ca -0.20 -2.58 0.00 0.00 -0.11 0.00 0.00 54.58 51.69 1r2u n ASN 51 Cb 0.57 -0.60 0.00 0.00 1.24 0.00 0.00 39.78 40.99 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 2.43 0.60 -4.27 1.20 -0.04 -1.26 -5.13 135.00 128.53 1r2u n PRO 52 Ca 0.27 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.46 1r2u n PRO 52 Cb 0.47 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.86 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 1.96 0.13 0.52 -4.23 -1.26 -4.98 115.64 107.53 1r2u s THR 53 Ca 0.00 -1.76 0.17 0.00 -1.18 0.00 0.00 61.69 58.93 1r2u s THR 53 Cb 0.00 -2.72 0.11 0.00 1.34 0.00 0.00 72.50 71.23 1r2u s THR 53 CO 0.00 0.00 1.67 1.55 -0.54 0.00 0.00 174.62 177.30 1r2u h PRO 54 N 1.35 0.00 0.19 3.99 0.13 -2.00 -1.35 132.00 134.31 1r2u h PRO 54 Ca -0.42 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.38 1r2u h PRO 54 Cb 1.27 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.41 1r2u h PRO 54 CO 0.70 0.42 -1.56 0.93 -0.23 0.00 0.00 178.00 178.27 1r2u h GLU 55 N 0.00 0.39 0.12 0.86 4.39 -1.99 -2.94 114.58 115.41 1r2u h GLU 55 Ca -0.00 -0.67 -0.01 0.00 0.34 0.00 0.00 59.36 59.02 1r2u h GLU 55 Cb 1.00 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1r2u h GLU 55 CO 0.06 1.30 -0.06 0.93 -1.16 0.00 0.00 179.01 180.08 1r2u h GLU 56 N 0.11 -0.16 -0.05 2.33 4.39 -1.96 -3.16 114.58 116.08 1r2u h GLU 56 Ca -0.27 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.46 1r2u h GLU 56 Cb 2.09 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 30.77 1r2u h GLU 56 CO 0.21 0.29 0.04 1.25 -1.16 0.00 0.00 179.01 179.64 1r2u h LEU 57 N -0.71 0.00 -1.10 1.33 6.46 -1.41 -2.30 115.31 117.59 1r2u h LEU 57 Ca -0.02 0.00 0.19 0.00 -0.12 0.00 0.00 57.88 57.93 1r2u h LEU 57 Cb 0.53 0.00 -0.10 0.00 -0.73 0.00 0.00 40.66 40.36 1r2u h LEU 57 CO 0.03 0.00 0.61 -0.61 -0.62 0.00 0.00 178.44 177.85 1r2u h GLN 58 N 0.00 0.70 -0.40 1.25 5.75 -1.47 -0.26 115.11 120.67 1r2u h GLN 58 Ca 0.02 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1r2u h GLN 58 Cb 0.10 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 1r2u h GLN 58 CO -0.00 0.46 0.26 0.93 -2.65 0.00 0.00 178.83 177.84 1r2u h GLU 59 N 0.72 0.52 -0.72 1.69 5.08 -1.50 -2.52 114.58 117.85 1r2u h GLU 59 Ca 0.56 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.88 1r2u h GLU 59 Cb 0.92 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 1r2u h GLU 59 CO -0.34 0.35 0.45 0.52 -1.00 0.00 0.00 179.01 178.99 1r2u h MET 60 N 0.54 0.97 0.00 2.33 2.86 -1.20 -0.87 114.93 119.56 1r2u h MET 60 Ca 0.15 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1r2u h MET 60 Cb -0.06 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.39 1r2u h MET 60 CO -0.03 0.67 0.00 -0.89 1.06 0.00 0.00 176.91 177.72 1r2u n ILE 61 N -4.54 0.00 -0.08 -1.22 2.08 -0.69 0.03 119.36 114.93 1r2u n ILE 61 Ca 0.06 1.49 0.10 0.00 0.56 0.00 0.00 62.75 64.97 1r2u n ILE 61 Cb 0.04 -2.28 0.47 0.00 -0.75 0.00 0.00 39.64 37.13 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 0.41 -0.50 4.38 3.58 -1.52 0.27 116.42 123.04 1r2u h ASP 62 Ca 0.00 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.37 1r2u h ASP 62 Cb 0.00 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 1r2u h ASP 62 CO 0.00 0.26 -0.04 -0.33 -2.88 0.00 0.00 179.24 176.25 1r2u h GLU 63 N 0.46 0.91 0.00 0.28 5.08 -0.78 -3.20 114.58 117.33 1r2u h GLU 63 Ca 0.26 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1r2u h GLU 63 Cb 0.41 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1r2u h GLU 63 CO -0.07 0.96 -0.96 1.33 -1.00 0.00 0.00 179.01 179.27 1r2u n VAL 64 N -4.28 0.56 -2.18 3.13 0.24 0.10 -4.71 118.33 111.20 1r2u n VAL 64 Ca 0.01 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.34 61.50 1r2u n VAL 64 Cb 0.34 -0.28 -0.05 0.00 -1.47 0.00 0.00 33.84 32.39 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 -5.13 5.45 0.25 -1.34 -1.08 0.89 -4.59 116.67 111.12 1r2u s ASP 65 Ca 0.01 -1.35 0.05 0.00 -0.52 0.00 0.00 52.55 50.74 1r2u s ASP 65 Cb 0.10 -2.57 0.31 0.00 -1.46 0.00 0.00 42.92 39.30 1r2u s ASP 65 CO 0.78 -2.55 1.60 -0.33 0.52 0.00 0.00 175.17 175.19 1r2u h GLU 66 N 10.09 0.23 0.17 4.34 5.08 -1.85 -3.25 114.58 129.39 1r2u h GLU 66 Ca 0.20 -0.14 -0.26 0.00 -1.00 0.00 0.00 59.36 58.16 1r2u h GLU 66 Cb 0.96 0.02 0.02 0.00 0.50 0.00 0.00 28.75 30.25 1r2u h GLU 66 CO 1.27 0.72 -1.17 -0.44 -1.00 0.00 0.00 179.01 178.39 1r2u h ASP 67 N 0.18 0.57 -1.26 1.42 3.32 -1.95 -3.48 116.42 115.22 1r2u h ASP 67 Ca 0.00 -0.93 -0.05 0.00 0.02 0.00 0.00 57.03 56.07 1r2u h ASP 67 Cb 1.02 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 40.40 1r2u h ASP 67 CO 0.08 1.55 -0.08 0.61 -1.72 0.00 0.00 179.24 179.68 1r2u n GLY 68 N 1.71 0.61 0.12 2.75 0.00 -1.23 -4.99 105.19 104.16 1r2u n GLY 68 Ca -0.17 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 44.98 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 1.08 1.91 0.00 1.61 3.41 -1.26 -5.03 113.62 115.33 1r2u n SER 69 Ca -0.01 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 1r2u n SER 69 Cb 0.51 -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 1.41 1.07 3.91 5.00 0.00 -1.26 -5.14 105.19 110.18 1r2u n GLY 70 Ca -0.41 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 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 5.27 -0.33 2.61 -4.23 -1.26 -2.42 115.64 115.29 1r2u s THR 71 Ca 0.00 -0.48 -0.11 0.00 -1.18 0.00 0.00 61.69 59.92 1r2u s THR 71 Cb 0.00 -3.59 -0.01 0.00 1.34 0.00 0.00 72.50 70.24 1r2u s THR 71 CO 0.00 0.10 0.19 -0.69 -0.54 0.00 0.00 174.62 173.68 1r2u s VAL 72 N -1.53 4.83 0.85 2.29 1.01 0.18 -4.84 120.40 123.18 1r2u s VAL 72 Ca 0.34 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 61.83 1r2u s VAL 72 Cb -0.13 -3.49 0.17 0.00 0.00 0.00 0.00 36.38 32.93 1r2u s VAL 72 CO 0.27 0.00 1.17 -1.81 0.00 0.00 0.00 175.10 174.73 1r2u s ASP 73 N 1.64 3.69 0.31 3.32 1.01 -1.26 -1.67 116.67 123.72 1r2u s ASP 73 Ca 0.05 -0.05 0.05 0.00 0.71 0.00 0.00 52.55 53.30 1r2u s ASP 73 Cb -0.17 -0.14 0.52 0.00 1.01 0.00 0.00 42.92 44.14 1r2u s ASP 73 CO 0.08 -2.33 1.78 0.15 0.21 0.00 0.00 175.17 175.06 1r2u h PHE 74 N -1.11 0.45 -0.38 4.23 3.57 -1.98 0.32 116.94 122.03 1r2u h PHE 74 Ca -0.40 -0.08 -0.06 0.00 3.53 0.00 0.00 57.97 60.96 1r2u h PHE 74 Cb 1.25 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.85 1r2u h PHE 74 CO -0.70 0.59 -0.01 -0.44 -2.23 0.00 0.00 178.31 175.51 1r2u h ASP 75 N 0.37 0.58 1.39 0.41 3.32 -1.99 0.12 116.42 120.63 1r2u h ASP 75 Ca 0.06 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 1r2u h ASP 75 Cb 0.57 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1r2u h ASP 75 CO 0.04 0.67 -0.63 -0.33 -1.72 0.00 0.00 179.24 177.26 1r2u h GLU 76 N 0.58 0.00 0.05 3.56 5.08 -1.68 -2.96 114.58 119.22 1r2u h GLU 76 Ca 0.12 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.24 1r2u h GLU 76 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1r2u h GLU 76 CO 0.02 0.19 -1.05 0.35 -1.00 0.00 0.00 179.01 177.51 1r2u h PHE 77 N 0.00 0.56 0.11 4.33 3.57 0.31 -3.25 116.94 122.57 1r2u h PHE 77 Ca -0.03 -0.34 -0.27 0.00 3.53 0.00 0.00 57.97 60.86 1r2u h PHE 77 Cb 1.21 -0.05 0.01 0.00 2.79 0.00 0.00 35.95 39.91 1r2u h PHE 77 CO 0.00 1.19 -1.18 -0.07 -2.23 0.00 0.00 178.31 176.02 1r2u h LEU 78 N 0.17 0.53 -2.17 0.59 3.38 -0.86 -3.25 115.31 113.69 1r2u h LEU 78 Ca -0.10 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.34 1r2u h LEU 78 Cb 1.72 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.30 1r2u h LEU 78 CO 0.18 1.37 -0.06 -0.37 0.09 0.00 0.00 178.44 179.65 1r2u h VAL 79 N 0.14 0.61 -1.13 1.22 -1.51 -1.61 -2.75 116.25 111.22 1r2u h VAL 79 Ca -0.14 -0.25 0.32 0.00 -1.23 0.00 0.00 66.70 65.40 1r2u h VAL 79 Cb 1.88 1.16 -0.09 0.00 -2.13 0.00 0.00 31.29 32.11 1r2u h VAL 79 CO 0.20 0.06 0.75 0.24 -1.23 0.00 0.00 177.57 177.59 1r2u h MET 80 N 0.00 0.24 0.02 5.19 2.86 -1.59 1.03 114.93 122.68 1r2u h MET 80 Ca -0.00 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1r2u h MET 80 Cb 0.15 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1r2u h MET 80 CO 0.01 0.16 -0.19 0.52 1.06 0.00 0.00 176.91 178.46 1r2u h MET 81 N 0.25 0.04 0.00 1.72 2.07 -1.72 -3.36 114.93 113.93 1r2u h MET 81 Ca 0.63 -0.07 -0.11 0.00 -2.07 0.00 0.00 59.70 58.09 1r2u h MET 81 Cb 1.89 0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 31.63 1r2u h MET 81 CO -0.25 1.03 -0.51 -0.39 1.07 0.00 0.00 176.91 177.86 1r2u h VAL 82 N -0.92 1.31 0.00 -2.22 -1.51 -1.41 -2.95 116.25 108.56 1r2u h VAL 82 Ca -0.04 -1.78 -0.00 0.00 -1.23 0.00 0.00 66.70 63.64 1r2u h VAL 82 Cb 1.10 1.98 -0.00 0.00 -2.13 0.00 0.00 31.29 32.24 1r2u h VAL 82 CO 0.01 0.50 -0.01 0.08 -1.23 0.00 0.00 177.57 176.91 1r2u h ARG 83 N 0.00 0.00 -0.03 5.19 -0.00 0.92 -1.71 114.38 118.76 1r2u h ARG 83 Ca -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 59.98 59.98 1r2u h ARG 83 Cb 0.93 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.90 1r2u h ARG 83 CO 0.07 0.01 0.02 0.00 -0.00 0.00 0.00 179.97 180.07 1r2u h MET 85 N 0.00 0.73 -6.75 0.00 2.86 -1.52 -3.44 114.93 106.82 1r2u h MET 85 Ca 0.01 -0.32 -0.55 0.00 -2.06 0.00 0.00 59.70 56.78 1r2u h MET 85 Cb 0.05 -0.02 0.09 0.00 0.06 0.00 0.00 31.60 31.78 1r2u h MET 85 CO -0.00 0.93 0.81 1.17 1.06 0.00 0.00 176.91 180.88 1r2u n LYS 86 N -4.09 2.53 -2.38 1.72 0.00 -0.55 -4.89 118.16 110.51 1r2u n LYS 86 Ca -0.01 0.90 -0.41 0.00 0.00 0.00 0.00 58.31 58.79 1r2u n LYS 86 Cb 0.46 -2.65 -0.03 0.00 0.00 0.00 0.00 35.03 32.82 1r2u n LYS 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1r2u s ASP 87 N 0.42 6.01 -0.82 3.14 1.01 -1.26 -4.95 116.67 120.22 1r2u s ASP 87 Ca 0.65 0.12 -0.13 0.00 0.71 0.00 0.00 52.55 53.89 1r2u s ASP 87 Cb -0.53 -2.55 0.22 0.00 1.01 0.00 0.00 42.92 41.07 1r2u s ASP 87 CO 0.49 -1.84 0.76 1.51 0.21 0.00 0.00 175.17 176.30 1r2u s ASP 88 N 4.80 6.70 0.00 0.27 -4.77 -1.26 -5.22 116.67 117.18 1r2u s ASP 88 Ca 0.50 -2.72 0.00 0.00 -3.30 0.00 0.00 52.55 47.03 1r2u s ASP 88 Cb -0.10 -2.19 0.00 0.00 -1.09 0.00 0.00 42.92 39.53 1r2u s ASP 88 CO 0.22 -0.56 0.32 -1.20 0.70 0.00 0.00 175.17 174.66