#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r52 n THR 29 N 0.00 2.29 -1.81 -0.18 5.66 -1.26 -5.03 114.28 113.96 2r52 n THR 29 Ca 0.00 -2.04 -0.29 0.00 -3.05 0.00 0.00 64.05 58.67 2r52 n THR 29 Cb 0.00 -0.27 0.08 0.00 -1.55 0.00 0.00 70.33 68.60 2r52 n THR 29 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2r52 s ALA 30 N -2.90 2.56 -0.30 1.79 0.00 -1.26 -2.17 121.76 119.48 2r52 s ALA 30 Ca 0.42 -0.49 -0.34 0.00 0.00 0.00 0.00 51.96 51.55 2r52 s ALA 30 Cb 0.35 -3.01 -0.10 0.00 0.00 0.00 0.00 23.12 20.36 2r52 s ALA 30 CO 0.07 -1.61 2.16 0.00 0.00 0.00 0.00 175.76 176.39 2r52 s ARG 32 N 6.03 1.69 0.11 0.00 1.70 -0.24 -4.74 118.95 123.50 2r52 s ARG 32 Ca 1.06 -1.46 -0.29 0.00 -0.47 0.00 0.00 55.73 54.57 2r52 s ARG 32 Cb -0.75 0.46 -0.06 0.00 -0.57 0.00 0.00 34.95 34.03 2r52 s ARG 32 CO 0.47 -0.70 0.92 0.21 -1.08 0.00 0.00 175.30 175.12 2r52 s LYS 33 N -3.59 4.67 -0.00 3.89 2.36 -1.26 -2.09 119.74 123.71 2r52 s LYS 33 Ca 0.26 1.38 0.07 0.00 -2.55 0.00 0.00 55.97 55.12 2r52 s LYS 33 Cb -0.00 -3.37 -0.03 0.00 -1.05 0.00 0.00 37.83 33.38 2r52 s LYS 33 CO 0.13 0.25 -0.21 -1.01 1.55 0.00 0.00 175.35 176.06 2r52 s HIS 34 N -0.09 2.49 0.24 4.03 3.76 0.17 -4.98 115.29 120.92 2r52 s HIS 34 Ca 0.45 -0.31 -0.30 0.00 -0.15 0.00 0.00 55.06 54.75 2r52 s HIS 34 Cb -0.23 -1.51 -0.09 0.00 1.11 0.00 0.00 32.58 31.86 2r52 s HIS 34 CO 0.29 0.12 1.06 -1.21 -0.85 0.00 0.00 174.74 174.15 2r52 s GLU 35 N -0.95 4.68 -0.19 1.40 0.41 -1.26 -1.29 118.70 121.50 2r52 s GLU 35 Ca 0.12 1.70 -0.09 0.00 -0.41 0.00 0.00 54.97 56.29 2r52 s GLU 35 Cb -0.10 -3.23 0.07 0.00 -1.78 0.00 0.00 34.13 29.08 2r52 s GLU 35 CO 0.01 0.25 0.44 -1.17 -0.49 0.00 0.00 175.26 174.31 2r52 s LEU 36 N -1.11 -0.30 -0.16 1.80 2.96 -1.26 -4.82 118.68 115.79 2r52 s LEU 36 Ca 0.45 0.98 -0.07 0.00 -0.22 0.00 0.00 54.13 55.27 2r52 s LEU 36 Cb -0.30 1.46 -0.04 0.00 0.50 0.00 0.00 46.19 47.82 2r52 s LEU 36 CO 0.37 -0.21 0.07 -0.47 -1.32 0.00 0.00 176.35 174.80 2r52 s TYR 37 N 1.68 3.30 -0.11 5.38 6.14 -1.26 -0.39 117.35 132.09 2r52 s TYR 37 Ca -0.08 0.17 0.03 0.00 0.64 0.00 0.00 57.07 57.84 2r52 s TYR 37 Cb -0.09 -2.03 0.00 0.00 0.42 0.00 0.00 41.96 40.26 2r52 s TYR 37 CO -0.14 0.29 -0.23 0.08 0.64 0.00 0.00 175.55 176.19 2r52 s VAL 38 N 0.03 2.01 0.06 3.14 1.01 0.21 -4.89 120.40 121.97 2r52 s VAL 38 Ca 0.06 -0.98 -0.21 0.00 0.00 0.00 0.00 61.98 60.86 2r52 s VAL 38 Cb -0.12 -1.75 -0.06 0.00 0.00 0.00 0.00 36.38 34.44 2r52 s VAL 38 CO 0.01 0.55 0.61 -0.55 0.00 0.00 0.00 175.10 175.71 2r52 s SER 39 N 0.49 7.09 0.00 3.32 0.15 -1.26 -0.27 113.70 123.22 2r52 s SER 39 Ca -0.15 1.29 0.10 0.00 0.70 0.00 0.00 55.95 57.89 2r52 s SER 39 Cb -0.17 -2.38 0.61 0.00 -1.71 0.00 0.00 66.02 62.37 2r52 s SER 39 CO 0.06 0.21 1.04 0.49 1.20 0.00 0.00 173.24 176.24 2r52 n PHE 40 N 2.00 0.00 0.12 3.44 0.99 -0.35 -1.35 117.46 122.32 2r52 n PHE 40 Ca -0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.35 2r52 n PHE 40 Cb 0.50 0.00 0.10 0.00 -1.00 0.00 0.00 39.48 39.08 2r52 n PHE 40 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.76 178.72 2r52 h GLN 41 N 0.00 0.00 0.00 -1.08 4.20 -1.92 -1.34 115.11 114.97 2r52 h GLN 41 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2r52 h GLN 41 Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 2r52 h GLN 41 CO 0.00 0.68 -0.11 -0.44 -0.67 0.00 0.00 178.83 178.29 2r52 h ASP 42 N 0.00 0.00 -0.03 1.46 3.32 -1.62 -1.48 116.42 118.07 2r52 h ASP 42 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2r52 h ASP 42 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 2r52 h ASP 42 CO 0.09 0.11 -0.01 0.18 -1.72 0.00 0.00 179.24 177.89 2r52 n LEU 43 N -3.94 2.82 -2.81 1.55 4.32 -1.13 -4.97 117.00 112.84 2r52 n LEU 43 Ca -0.02 -1.00 -0.15 0.00 -0.02 0.00 0.00 56.01 54.82 2r52 n LEU 43 Cb 0.20 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 42.06 2r52 n LEU 43 CO 0.32 0.48 0.14 0.61 -1.22 0.00 0.00 177.39 177.71 2r52 n GLY 44 N 1.24 -0.16 0.05 -0.72 0.00 -0.56 -4.93 105.19 100.11 2r52 n GLY 44 Ca 0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 2r52 n GLY 44 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2r52 n TRP 45 N -3.90 0.00 -0.18 1.61 7.02 -0.53 -4.76 117.44 116.70 2r52 n TRP 45 Ca -0.09 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.37 2r52 n TRP 45 Cb 0.58 -0.57 -0.00 0.00 -2.42 0.00 0.00 31.31 28.90 2r52 n TRP 45 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2r52 n GLN 46 N -2.36 -0.14 0.00 -0.99 -0.00 -1.21 0.07 117.38 112.75 2r52 n GLN 46 Ca -0.17 0.69 0.00 0.00 -0.00 0.00 0.00 57.00 57.52 2r52 n GLN 46 Cb 0.79 -1.02 0.00 0.00 -0.00 0.00 0.00 30.24 30.01 2r52 n GLN 46 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2r52 n ASP 47 N -4.63 0.00 0.00 2.61 9.92 -1.26 -2.28 116.55 120.91 2r52 n ASP 47 Ca 0.03 0.26 0.00 0.00 -0.53 0.00 0.00 54.79 54.56 2r52 n ASP 47 Cb 0.16 -0.26 0.00 0.00 -0.64 0.00 0.00 41.12 40.38 2r52 n ASP 47 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 2r52 n TRP 48 N -1.25 0.00 -3.84 1.24 7.02 0.11 -5.04 117.44 115.67 2r52 n TRP 48 Ca 0.00 -0.01 -0.37 0.00 -1.02 0.00 0.00 57.50 56.09 2r52 n TRP 48 Cb 0.01 -0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 28.84 2r52 n TRP 48 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 2r52 s ILE 49 N -0.03 5.46 -0.25 -0.99 1.01 -0.96 -1.72 121.20 123.72 2r52 s ILE 49 Ca 0.00 0.27 -0.14 0.00 0.00 0.00 0.00 60.65 60.77 2r52 s ILE 49 Cb 0.00 -3.43 -0.15 0.00 0.01 0.00 0.00 42.46 38.89 2r52 s ILE 49 CO 0.00 0.61 -0.16 -0.38 0.00 0.00 0.00 174.94 175.01 2r52 n ILE 50 N 1.95 1.54 -3.61 2.92 5.41 -0.01 -4.94 119.36 122.62 2r52 n ILE 50 Ca -0.19 -0.32 -0.12 0.00 1.00 0.00 0.00 62.75 63.12 2r52 n ILE 50 Cb 0.55 -1.88 -0.07 0.00 -0.71 0.00 0.00 39.64 37.53 2r52 n ILE 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2r52 s ALA 51 N -2.47 -1.89 0.69 -1.39 0.00 -1.15 -4.69 121.76 110.86 2r52 s ALA 51 Ca -0.35 1.80 -0.05 0.00 0.00 0.00 0.00 51.96 53.36 2r52 s ALA 51 Cb 0.12 -1.07 0.07 0.00 0.00 0.00 0.00 23.12 22.23 2r52 s ALA 51 CO 0.54 -0.29 0.99 -2.14 0.00 0.00 0.00 175.76 174.86 2r52 s PRO 52 N -0.12 2.14 0.00 0.00 0.02 -1.26 -1.60 135.00 134.18 2r52 s PRO 52 Ca -0.00 -0.42 0.29 0.00 0.02 0.00 0.00 61.00 60.89 2r52 s PRO 52 Cb -0.04 -2.22 1.21 0.00 0.02 0.00 0.00 34.50 33.47 2r52 s PRO 52 CO -0.01 -1.22 1.84 1.63 -0.33 0.00 0.00 177.00 178.91 2r52 n LYS 53 N -2.86 0.83 -3.98 5.54 4.76 -1.26 -4.89 118.16 116.30 2r52 n LYS 53 Ca 0.09 -0.32 0.05 0.00 -2.87 0.00 0.00 58.31 55.26 2r52 n LYS 53 Cb 0.60 -1.49 0.01 0.00 -1.84 0.00 0.00 35.03 32.31 2r52 n LYS 53 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2r52 s GLY 54 N -2.39 -0.25 0.23 0.72 0.00 -1.26 -1.21 107.32 103.16 2r52 s GLY 54 Ca 0.31 0.26 -0.20 0.00 0.00 0.00 0.00 44.72 45.08 2r52 s GLY 54 CO 0.46 6.13 0.64 -2.52 0.00 0.00 0.00 173.10 177.80 2r52 s TYR 55 N -2.00 -0.24 -0.85 1.90 1.13 0.62 -4.93 117.35 112.98 2r52 s TYR 55 Ca 0.30 -0.13 -0.21 0.00 -1.41 0.00 0.00 57.07 55.63 2r52 s TYR 55 Cb 0.01 0.58 0.10 0.00 -1.10 0.00 0.00 41.96 41.54 2r52 s TYR 55 CO -0.03 -1.06 1.12 0.00 -2.51 0.00 0.00 175.55 173.07 2r52 s ALA 56 N -3.87 3.18 0.15 9.51 0.00 -1.26 0.64 121.76 130.10 2r52 s ALA 56 Ca 0.09 -2.35 -0.01 0.00 0.00 0.00 0.00 51.96 49.69 2r52 s ALA 56 Cb -0.03 -4.06 -0.03 0.00 0.00 0.00 0.00 23.12 18.99 2r52 s ALA 56 CO -0.00 -3.01 1.35 0.00 0.00 0.00 0.00 175.76 174.10 2r52 h ALA 57 N 9.24 0.47 -3.11 0.00 0.00 -0.99 -3.43 119.26 121.45 2r52 h ALA 57 Ca 0.00 -0.71 0.37 0.00 0.00 0.00 0.00 54.91 54.58 2r52 h ALA 57 Cb 1.04 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.67 2r52 h ALA 57 CO 1.18 0.86 -0.58 0.09 0.00 0.00 0.00 179.25 180.80 2r52 n ASN 58 N -3.71 -8.17 -3.51 0.00 5.03 -0.44 -1.86 115.26 102.59 2r52 n ASN 58 Ca -0.05 0.65 -0.13 0.00 0.87 0.00 0.00 54.58 55.92 2r52 n ASN 58 Cb 0.81 -4.27 -0.04 0.00 -1.02 0.00 0.00 39.78 35.26 2r52 n ASN 58 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 2r52 s TYR 59 N -2.42 -0.50 0.18 3.10 1.13 -0.42 -4.68 117.35 113.74 2r52 s TYR 59 Ca 0.00 0.67 -0.17 0.00 -1.41 0.00 0.00 57.07 56.15 2r52 s TYR 59 Cb 0.00 0.47 -0.08 0.00 -1.10 0.00 0.00 41.96 41.26 2r52 s TYR 59 CO 0.00 -0.57 0.64 0.00 -2.51 0.00 0.00 175.55 173.11 2r52 s ASP 61 N -1.65 -0.28 0.00 0.00 2.15 -0.89 -4.90 116.67 111.11 2r52 s ASP 61 Ca 0.40 0.15 0.00 0.00 0.43 0.00 0.00 52.55 53.53 2r52 s ASP 61 Cb -0.16 0.26 0.00 0.00 -0.30 0.00 0.00 42.92 42.72 2r52 s ASP 61 CO 0.20 -0.37 0.00 0.61 -0.17 0.00 0.00 175.17 175.44 2r52 n GLY 62 N 0.21 3.50 3.79 2.66 0.00 -1.26 -1.08 105.19 113.01 2r52 n GLY 62 Ca -0.06 -1.82 -0.36 0.00 0.00 0.00 0.00 46.02 43.77 2r52 n GLY 62 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2r52 s GLU 63 N -2.70 4.32 -0.35 1.61 2.12 -0.92 -4.23 118.70 118.55 2r52 s GLU 63 Ca 0.00 1.41 -0.03 0.00 0.36 0.00 0.00 54.97 56.71 2r52 s GLU 63 Cb 0.00 -2.60 0.08 0.00 0.26 0.00 0.00 34.13 31.87 2r52 s GLU 63 CO 0.00 0.02 0.11 0.00 -0.54 0.00 0.00 175.26 174.85 2r52 s SER 65 N 1.53 0.09 0.55 0.00 1.04 -1.26 -4.52 113.70 111.13 2r52 s SER 65 Ca 0.01 -1.05 -0.21 0.00 0.48 0.00 0.00 55.95 55.19 2r52 s SER 65 Cb -0.21 0.75 -0.05 0.00 0.10 0.00 0.00 66.02 66.61 2r52 s SER 65 CO -0.02 -1.46 1.26 -0.36 0.98 0.00 0.00 173.24 173.64 2r52 s PHE 66 N -3.08 2.44 0.45 5.02 0.08 -1.26 -4.34 117.98 117.29 2r52 s PHE 66 Ca 0.18 1.47 -0.23 0.00 0.12 0.00 0.00 56.93 58.47 2r52 s PHE 66 Cb -0.04 -3.59 -0.08 0.00 -0.57 0.00 0.00 43.02 38.75 2r52 s PHE 66 CO 0.12 -2.35 1.16 -2.14 -0.10 0.00 0.00 175.22 171.90 2r52 s PRO 67 N -3.03 3.82 -0.01 0.24 0.02 -1.26 -5.19 135.00 129.59 2r52 s PRO 67 Ca 0.72 1.76 0.02 0.00 0.02 0.00 0.00 61.00 63.52 2r52 s PRO 67 Cb -0.34 -2.44 -0.00 0.00 0.02 0.00 0.00 34.50 31.73 2r52 s PRO 67 CO 0.39 -0.50 -0.05 -0.51 -0.33 0.00 0.00 177.00 176.00 2r52 s LEU 68 N -2.94 1.95 -0.21 -5.54 1.43 -1.26 -5.12 118.68 106.99 2r52 s LEU 68 Ca 0.62 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.64 2r52 s LEU 68 Cb -0.28 -0.30 0.04 0.00 0.03 0.00 0.00 46.19 45.68 2r52 s LEU 68 CO 0.34 0.06 -0.15 0.21 0.23 0.00 0.00 176.35 177.04 2r52 s ASN 69 N -0.04 3.56 0.34 2.29 3.84 -1.26 -4.99 114.94 118.67 2r52 s ASN 69 Ca 0.01 -0.92 0.24 0.00 0.21 0.00 0.00 52.86 52.40 2r52 s ASN 69 Cb -0.03 -1.43 1.23 0.00 -0.55 0.00 0.00 41.25 40.47 2r52 s ASN 69 CO -0.00 -0.09 1.73 0.00 -2.79 0.00 0.00 177.10 175.95 2r52 h ALA 70 N 7.90 1.00 -0.17 1.71 0.00 -1.87 -1.76 119.26 126.07 2r52 h ALA 70 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2r52 h ALA 70 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2r52 h ALA 70 CO 0.55 0.00 0.00 0.72 0.00 0.00 0.00 179.25 180.52 2r52 n HIS 71 N -2.33 0.21 0.00 0.00 8.25 -1.26 -4.55 115.22 115.53 2r52 n HIS 71 Ca -0.01 -0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 2r52 n HIS 71 Cb 0.08 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.19 2r52 n HIS 71 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2r52 n MET 72 N 0.92 0.00 -1.26 -0.41 2.81 -0.70 -4.97 117.12 113.51 2r52 n MET 72 Ca 0.12 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.75 2r52 n MET 72 Cb 0.43 0.00 0.14 0.00 -0.71 0.00 0.00 33.22 33.08 2r52 n MET 72 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2r52 n ASN 73 N 0.00 5.08 -3.49 7.83 4.13 -1.19 -4.98 115.26 122.64 2r52 n ASN 73 Ca 0.00 -3.71 -0.04 0.00 1.68 0.00 0.00 54.58 52.50 2r52 n ASN 73 Cb 0.00 -0.83 0.00 0.00 -1.54 0.00 0.00 39.78 37.42 2r52 n ASN 73 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2r52 s ALA 74 N -3.51 -1.46 0.25 5.41 0.00 -0.99 -0.06 121.76 121.40 2r52 s ALA 74 Ca 0.58 -0.21 0.07 0.00 0.00 0.00 0.00 51.96 52.40 2r52 s ALA 74 Cb 0.48 0.70 -0.05 0.00 0.00 0.00 0.00 23.12 24.25 2r52 s ALA 74 CO 0.05 -1.04 -0.10 0.95 0.00 0.00 0.00 175.76 175.61 2r52 s THR 75 N -2.76 1.72 0.16 0.00 -4.23 -1.20 -4.31 115.64 105.03 2r52 s THR 75 Ca 0.16 -2.18 -0.16 0.00 -1.18 0.00 0.00 61.69 58.34 2r52 s THR 75 Cb -0.03 -2.28 0.06 0.00 1.34 0.00 0.00 72.50 71.60 2r52 s THR 75 CO 0.05 -0.43 1.71 0.78 -0.54 0.00 0.00 174.62 176.19 2r52 h ASN 76 N 2.39 -0.11 -0.98 3.99 -0.26 -1.94 -1.47 115.58 117.20 2r52 h ASN 76 Ca -0.39 0.08 0.16 0.00 -0.56 0.00 0.00 56.30 55.59 2r52 h ASN 76 Cb 1.23 0.14 -0.10 0.00 -1.06 0.00 0.00 38.32 38.53 2r52 h ASN 76 CO 0.65 -0.02 0.59 -0.74 -1.06 0.00 0.00 177.43 176.84 2r52 h HIS 77 N 0.13 1.05 -0.51 1.19 2.76 -1.97 0.11 115.15 117.90 2r52 h HIS 77 Ca 0.19 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.35 2r52 h HIS 77 Cb 0.26 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 28.88 2r52 h HIS 77 CO -0.25 0.31 0.14 0.00 -1.30 0.00 0.00 177.93 176.83 2r52 h ALA 78 N 1.59 1.30 -0.12 5.26 0.00 -1.58 0.26 119.26 125.97 2r52 h ALA 78 Ca 0.53 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 2r52 h ALA 78 Cb 0.71 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2r52 h ALA 78 CO -0.34 0.50 -0.01 0.82 0.00 0.00 0.00 179.25 180.22 2r52 h ILE 79 N 0.74 1.27 -0.49 0.00 2.04 -0.39 -0.59 117.51 120.09 2r52 h ILE 79 Ca 0.17 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 2r52 h ILE 79 Cb 0.24 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 2r52 h ILE 79 CO -0.01 0.26 0.25 0.58 0.00 0.00 0.00 178.15 179.23 2r52 h VAL 80 N -0.06 1.18 -0.64 1.67 2.07 -0.70 -2.38 116.25 117.40 2r52 h VAL 80 Ca 0.03 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 2r52 h VAL 80 Cb 0.40 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2r52 h VAL 80 CO 0.01 0.20 0.27 -0.61 0.02 0.00 0.00 177.57 177.46 2r52 h GLN 81 N 0.64 0.94 -0.95 1.57 4.15 -0.42 -0.35 115.11 120.69 2r52 h GLN 81 Ca 0.17 -0.16 0.04 0.00 0.77 0.00 0.00 58.65 59.47 2r52 h GLN 81 Cb 0.09 -0.16 -0.06 0.00 0.21 0.00 0.00 27.48 27.57 2r52 h GLN 81 CO -0.02 0.78 0.62 1.15 -1.93 0.00 0.00 178.83 179.43 2r52 h THR 82 N 0.89 1.16 -0.10 2.39 2.02 -0.98 0.70 112.91 118.98 2r52 h THR 82 Ca 0.21 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 2r52 h THR 82 Cb 0.18 -0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.44 2r52 h THR 82 CO -0.02 0.22 -0.03 0.25 0.37 0.00 0.00 175.52 176.31 2r52 h LEU 83 N 1.20 0.20 -2.04 2.58 5.85 -0.88 -1.83 115.31 120.39 2r52 h LEU 83 Ca 0.38 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2r52 h LEU 83 Cb 0.01 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 2r52 h LEU 83 CO -0.13 0.52 -0.09 0.58 -0.34 0.00 0.00 178.44 178.99 2r52 h VAL 84 N -0.12 0.58 0.01 1.05 2.07 -0.74 -2.78 116.25 116.32 2r52 h VAL 84 Ca 0.03 -0.40 -0.19 0.00 0.82 0.00 0.00 66.70 66.96 2r52 h VAL 84 Cb 0.44 1.26 0.02 0.00 -1.52 0.00 0.00 31.29 31.48 2r52 h VAL 84 CO 0.01 0.09 -0.74 -0.74 0.02 0.00 0.00 177.57 176.21 2r52 h HIS 85 N 0.00 0.72 -0.03 1.57 -0.00 -0.56 -3.19 115.15 113.66 2r52 h HIS 85 Ca -0.00 -0.40 0.01 0.00 -0.00 0.00 0.00 60.37 59.98 2r52 h HIS 85 Cb 0.25 -0.08 -0.00 0.00 -0.00 0.00 0.00 27.41 27.58 2r52 h HIS 85 CO 0.00 1.23 0.02 -0.07 -0.00 0.00 0.00 177.93 179.12 2r52 h LEU 86 N 0.01 0.00 -3.61 0.26 3.38 -1.05 -0.88 115.31 113.42 2r52 h LEU 86 Ca -0.10 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 2r52 h LEU 86 Cb 1.44 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.14 2r52 h LEU 86 CO 0.15 0.00 0.11 1.15 0.09 0.00 0.00 178.44 179.93 2r52 n MET 87 N -4.51 4.20 -2.65 1.13 0.00 -1.19 -4.53 117.12 109.56 2r52 n MET 87 Ca -0.02 -3.11 -0.02 0.00 0.00 0.00 0.00 57.70 54.54 2r52 n MET 87 Cb 0.12 -2.20 0.10 0.00 0.00 0.00 0.00 33.22 31.24 2r52 n MET 87 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 2r52 n ASN 88 N 0.17 -1.01 0.27 3.17 3.02 -0.70 -5.02 115.26 115.16 2r52 n ASN 88 Ca 0.33 -1.51 0.17 0.00 -0.03 0.00 0.00 54.58 53.54 2r52 n ASN 88 Cb 1.25 1.01 0.93 0.00 -0.61 0.00 0.00 39.78 42.36 2r52 n ASN 88 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2r52 h PRO 89 N 1.90 0.00 0.00 3.52 0.11 -1.43 -1.52 132.00 134.58 2r52 h PRO 89 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2r52 h PRO 89 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2r52 h PRO 89 CO -0.05 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.13 2r52 n GLU 90 N -3.61 0.10 0.00 1.05 4.71 -1.26 -4.44 120.64 117.19 2r52 n GLU 90 Ca -0.01 0.17 -0.01 0.00 -0.01 0.00 0.00 57.16 57.29 2r52 n GLU 90 Cb 0.20 -1.64 -0.00 0.00 -1.01 0.00 0.00 31.44 28.98 2r52 n GLU 90 CO 0.00 0.00 0.00 2.48 0.09 0.00 0.00 177.13 179.70 2r52 n TYR 91 N -1.83 0.00 -3.44 -0.32 -0.00 -0.59 -5.03 117.16 105.95 2r52 n TYR 91 Ca 0.05 0.00 -0.37 0.00 -0.00 0.00 0.00 57.90 57.58 2r52 n TYR 91 Cb 0.32 -0.07 -0.07 0.00 -0.00 0.00 0.00 39.34 39.53 2r52 n TYR 91 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2r52 s VAL 92 N -1.53 5.25 0.66 -3.48 1.01 -1.09 -5.08 120.40 116.15 2r52 s VAL 92 Ca -0.04 0.72 -0.08 0.00 0.00 0.00 0.00 61.98 62.58 2r52 s VAL 92 Cb 0.01 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.70 2r52 s VAL 92 CO 0.06 0.36 1.00 -2.16 0.00 0.00 0.00 175.10 174.35 2r52 s PRO 93 N 0.58 2.64 0.63 2.72 0.04 -1.26 -4.54 135.00 135.80 2r52 s PRO 93 Ca 0.20 0.05 -0.15 0.00 0.04 0.00 0.00 61.00 61.14 2r52 s PRO 93 Cb -0.14 -2.16 -0.02 0.00 0.04 0.00 0.00 34.50 32.22 2r52 s PRO 93 CO 0.07 -0.99 1.07 0.15 0.04 0.00 0.00 177.00 177.34 2r52 s LYS 94 N -5.19 3.10 0.94 4.56 1.02 -1.26 -4.79 119.74 118.11 2r52 s LYS 94 Ca 0.57 1.22 -0.11 0.00 0.02 0.00 0.00 55.97 57.68 2r52 s LYS 94 Cb -0.11 -2.00 0.16 0.00 -0.52 0.00 0.00 37.83 35.36 2r52 s LYS 94 CO 0.47 -0.99 1.11 -2.14 -0.92 0.00 0.00 175.35 172.88 2r52 s PRO 95 N -4.22 0.84 0.15 -1.68 0.02 -1.26 -5.00 135.00 123.84 2r52 s PRO 95 Ca 0.64 1.29 0.08 0.00 0.02 0.00 0.00 61.00 63.03 2r52 s PRO 95 Cb -0.17 -1.73 -0.04 0.00 0.02 0.00 0.00 34.50 32.58 2r52 s PRO 95 CO 0.41 -2.67 -0.11 0.00 -0.33 0.00 0.00 177.00 174.30 2r52 s ALA 98 N 5.47 1.91 0.38 0.00 0.00 -0.41 -4.49 121.76 124.61 2r52 s ALA 98 Ca 0.68 -1.78 -0.27 0.00 0.00 0.00 0.00 51.96 50.59 2r52 s ALA 98 Cb -0.20 0.40 -0.09 0.00 0.00 0.00 0.00 23.12 23.24 2r52 s ALA 98 CO 0.30 -0.20 1.26 -2.14 0.00 0.00 0.00 175.76 174.97 2r52 s PRO 99 N -3.83 4.14 -0.00 0.00 0.02 -1.26 -0.30 135.00 133.76 2r52 s PRO 99 Ca 0.28 2.07 0.04 0.00 0.02 0.00 0.00 61.00 63.41 2r52 s PRO 99 Cb 0.05 -2.85 -0.06 0.00 0.02 0.00 0.00 34.50 31.67 2r52 s PRO 99 CO 0.09 -0.32 0.14 0.25 -0.33 0.00 0.00 177.00 176.83 2r52 n THR 100 N 0.36 0.00 -3.68 0.99 -2.24 0.13 -4.75 114.28 105.08 2r52 n THR 100 Ca 0.03 -0.27 -0.11 0.00 -2.27 0.00 0.00 64.05 61.43 2r52 n THR 100 Cb 0.44 0.73 -0.12 0.00 -2.10 0.00 0.00 70.33 69.29 2r52 n THR 100 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2r52 s LYS 101 N -1.80 0.27 -0.06 -0.78 3.01 -1.08 -4.93 119.74 114.38 2r52 s LYS 101 Ca 0.00 0.79 0.04 0.00 -1.01 0.00 0.00 55.97 55.79 2r52 s LYS 101 Cb 0.03 0.04 -0.00 0.00 -1.01 0.00 0.00 37.83 36.89 2r52 s LYS 101 CO 0.18 -0.21 -0.18 -0.51 0.51 0.00 0.00 175.35 175.13 2r52 s LEU 102 N 1.93 1.91 0.31 3.17 1.43 -1.26 -0.39 118.68 125.77 2r52 s LEU 102 Ca -0.05 -0.38 0.07 0.00 -1.03 0.00 0.00 54.13 52.74 2r52 s LEU 102 Cb -0.11 -1.04 -0.03 0.00 0.03 0.00 0.00 46.19 45.05 2r52 s LEU 102 CO -0.11 0.14 0.30 0.20 0.23 0.00 0.00 176.35 177.12 2r52 s ASN 103 N 0.17 5.53 0.54 2.29 0.02 0.10 -4.58 114.94 119.01 2r52 s ASN 103 Ca -0.08 -0.34 0.06 0.00 -1.02 0.00 0.00 52.86 51.48 2r52 s ASN 103 Cb -0.13 -1.19 0.06 0.00 0.02 0.00 0.00 41.25 40.01 2r52 s ASN 103 CO 0.03 -0.27 0.75 0.00 0.02 0.00 0.00 177.10 177.63 2r52 s ALA 104 N -2.22 4.34 -0.06 0.60 0.00 -1.26 -0.86 121.76 122.30 2r52 s ALA 104 Ca 0.39 -1.77 -0.05 0.00 0.00 0.00 0.00 51.96 50.53 2r52 s ALA 104 Cb -0.07 -1.72 0.02 0.00 0.00 0.00 0.00 23.12 21.35 2r52 s ALA 104 CO 0.27 -0.74 0.15 0.96 0.00 0.00 0.00 175.76 176.40 2r52 s ILE 105 N -2.65 -0.01 -0.05 0.00 -4.36 0.12 -4.77 121.20 109.48 2r52 s ILE 105 Ca 0.59 0.03 -0.07 0.00 -0.26 0.00 0.00 60.65 60.94 2r52 s ILE 105 Cb -0.08 -0.23 -0.04 0.00 1.25 0.00 0.00 42.46 43.36 2r52 s ILE 105 CO 0.38 0.01 0.23 -0.44 0.24 0.00 0.00 174.94 175.36 2r52 s SER 106 N 0.29 6.48 -0.03 4.36 0.01 -1.26 -0.09 113.70 123.46 2r52 s SER 106 Ca -0.02 0.56 0.03 0.00 1.31 0.00 0.00 55.95 57.84 2r52 s SER 106 Cb -0.03 -2.09 -0.00 0.00 0.21 0.00 0.00 66.02 64.10 2r52 s SER 106 CO -0.01 0.33 -0.13 -0.69 0.41 0.00 0.00 173.24 173.14 2r52 s VAL 107 N -1.17 1.14 -0.31 3.43 1.01 0.97 -4.64 120.40 120.83 2r52 s VAL 107 Ca 0.22 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.56 2r52 s VAL 107 Cb -0.13 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.26 2r52 s VAL 107 CO 0.11 0.34 0.12 -0.22 0.00 0.00 0.00 175.10 175.45 2r52 s LEU 108 N 0.11 4.04 0.27 3.92 2.96 -0.63 -1.01 118.68 128.34 2r52 s LEU 108 Ca -0.03 -0.65 0.02 0.00 -0.22 0.00 0.00 54.13 53.24 2r52 s LEU 108 Cb -0.10 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 2r52 s LEU 108 CO 0.01 -0.21 0.24 -0.72 -1.32 0.00 0.00 176.35 174.35 2r52 s TYR 109 N 1.55 1.38 0.17 5.38 -0.85 -0.06 -0.83 117.35 124.09 2r52 s TYR 109 Ca 0.03 -1.47 0.07 0.00 -0.52 0.00 0.00 57.07 55.18 2r52 s TYR 109 Cb -0.17 -0.56 -0.04 0.00 0.38 0.00 0.00 41.96 41.56 2r52 s TYR 109 CO 0.04 -0.79 -0.14 -0.59 -1.52 0.00 0.00 175.55 172.55 2r52 s PHE 110 N -3.76 1.56 0.00 -3.49 -0.71 -0.70 0.11 117.98 110.99 2r52 s PHE 110 Ca 0.38 -0.58 0.00 0.00 -1.04 0.00 0.00 56.93 55.69 2r52 s PHE 110 Cb 0.04 -0.77 0.00 0.00 -1.21 0.00 0.00 43.02 41.08 2r52 s PHE 110 CO 0.19 0.25 0.00 -0.40 -1.34 0.00 0.00 175.22 173.92 2r52 n ASP 111 N 0.01 0.08 0.09 1.98 5.68 -0.99 -4.86 116.55 118.55 2r52 n ASP 111 Ca -0.11 0.00 0.03 0.00 -0.50 0.00 0.00 54.79 54.21 2r52 n ASP 111 Cb 0.59 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.55 2r52 n ASP 111 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2r52 h ASP 112 N 0.00 0.00 -0.07 -1.12 3.32 -2.02 -3.23 116.42 113.30 2r52 h ASP 112 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2r52 h ASP 112 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2r52 h ASP 112 CO 0.00 0.43 0.00 0.59 -1.72 0.00 0.00 179.24 178.54 2r52 n ASN 113 N -2.99 0.53 -0.99 6.45 5.03 -1.26 -4.85 115.26 117.17 2r52 n ASN 113 Ca -0.03 -2.01 -0.12 0.00 0.87 0.00 0.00 54.58 53.29 2r52 n ASN 113 Cb 0.74 -0.11 -0.04 0.00 -1.02 0.00 0.00 39.78 39.35 2r52 n ASN 113 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2r52 n SER 114 N -0.24 -4.26 -4.67 6.41 7.64 -1.22 -4.98 113.62 112.30 2r52 n SER 114 Ca 0.03 0.22 -0.43 0.00 1.01 0.00 0.00 58.87 59.70 2r52 n SER 114 Cb 0.10 -2.94 -0.02 0.00 -1.01 0.00 0.00 64.21 60.33 2r52 n SER 114 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2r52 s ASN 115 N -2.79 7.11 -0.28 6.43 0.01 -1.26 -4.84 114.94 119.31 2r52 s ASN 115 Ca 0.00 1.45 -0.27 0.00 -0.71 0.00 0.00 52.86 53.33 2r52 s ASN 115 Cb 0.00 -2.54 0.01 0.00 0.41 0.00 0.00 41.25 39.12 2r52 s ASN 115 CO 0.00 -0.64 0.96 -0.69 -1.51 0.00 0.00 177.10 175.22 2r52 s VAL 116 N 2.99 4.67 0.08 1.60 1.01 -1.26 -2.35 120.40 127.14 2r52 s VAL 116 Ca 0.46 1.65 0.10 0.00 0.00 0.00 0.00 61.98 64.19 2r52 s VAL 116 Cb -0.17 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 2r52 s VAL 116 CO 0.10 -0.28 -0.25 -0.63 0.00 0.00 0.00 175.10 174.04 2r52 s ILE 117 N 3.24 2.33 -0.26 2.22 1.01 0.29 -4.97 121.20 125.05 2r52 s ILE 117 Ca 0.40 -1.51 0.01 0.00 0.00 0.00 0.00 60.65 59.55 2r52 s ILE 117 Cb -0.14 -1.98 0.05 0.00 0.01 0.00 0.00 42.46 40.40 2r52 s ILE 117 CO 0.11 0.24 -0.08 -0.22 0.00 0.00 0.00 174.94 174.99 2r52 s LEU 118 N -1.64 3.42 -0.07 2.97 2.96 -1.26 -0.88 118.68 124.18 2r52 s LEU 118 Ca 0.13 -1.23 0.05 0.00 -0.22 0.00 0.00 54.13 52.86 2r52 s LEU 118 Cb -0.10 -1.60 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 2r52 s LEU 118 CO 0.05 -0.18 -0.22 -0.75 -1.32 0.00 0.00 176.35 173.92 2r52 s LYS 119 N 1.19 2.69 -0.23 1.98 2.20 -0.18 -4.94 119.74 122.45 2r52 s LYS 119 Ca -0.06 -0.86 -0.10 0.00 -0.36 0.00 0.00 55.97 54.59 2r52 s LYS 119 Cb -0.19 -2.25 -0.05 0.00 -1.51 0.00 0.00 37.83 33.83 2r52 s LYS 119 CO -0.05 0.37 0.16 0.21 -0.36 0.00 0.00 175.35 175.68 2r52 s LYS 120 N -0.12 4.09 -0.30 4.03 2.20 -1.26 -0.02 119.74 128.36 2r52 s LYS 120 Ca -0.04 -0.26 -0.06 0.00 -0.36 0.00 0.00 55.97 55.25 2r52 s LYS 120 Cb -0.14 -3.52 0.02 0.00 -1.51 0.00 0.00 37.83 32.68 2r52 s LYS 120 CO 0.04 0.10 0.07 0.71 -0.36 0.00 0.00 175.35 175.91 2r52 s TYR 121 N 0.93 3.16 0.57 4.03 2.02 0.87 -4.95 117.35 123.98 2r52 s TYR 121 Ca 0.08 -1.12 -0.10 0.00 -0.37 0.00 0.00 57.07 55.55 2r52 s TYR 121 Cb -0.13 -2.23 -0.04 0.00 -0.40 0.00 0.00 41.96 39.15 2r52 s TYR 121 CO 0.03 -0.62 0.97 1.03 -1.57 0.00 0.00 175.55 175.39 2r52 s ARG 122 N 1.46 3.63 -1.41 -0.62 0.52 -1.26 -0.71 118.95 120.57 2r52 s ARG 122 Ca 0.02 0.65 -0.05 0.00 -0.52 0.00 0.00 55.73 55.82 2r52 s ARG 122 Cb -0.18 -2.16 0.03 0.00 0.52 0.00 0.00 34.95 33.17 2r52 s ARG 122 CO 0.02 -0.45 0.78 0.09 0.02 0.00 0.00 175.30 175.76 2r52 n ASN 123 N -2.49 -2.44 -0.07 0.23 3.02 -1.21 -4.89 115.26 107.40 2r52 n ASN 123 Ca 0.05 -0.83 -0.06 0.00 -0.03 0.00 0.00 54.58 53.71 2r52 n ASN 123 Cb 0.54 -3.88 -0.12 0.00 -0.61 0.00 0.00 39.78 35.71 2r52 n ASN 123 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2r52 n MET 124 N -4.44 1.34 -5.22 3.52 2.81 -0.14 -4.93 117.12 110.06 2r52 n MET 124 Ca -0.17 -0.02 -0.32 0.00 -1.81 0.00 0.00 57.70 55.38 2r52 n MET 124 Cb 0.62 -1.40 -0.16 0.00 -0.71 0.00 0.00 33.22 31.57 2r52 n MET 124 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2r52 s VAL 125 N -2.47 2.13 -0.25 2.03 1.01 -0.04 -4.66 120.40 118.15 2r52 s VAL 125 Ca -0.08 -1.03 -0.22 0.00 0.00 0.00 0.00 61.98 60.66 2r52 s VAL 125 Cb 0.05 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 2r52 s VAL 125 CO 0.65 0.57 0.72 -0.69 0.00 0.00 0.00 175.10 176.34 2r52 s VAL 126 N -0.02 4.91 -0.25 2.92 1.01 -0.78 0.01 120.40 128.20 2r52 s VAL 126 Ca -0.08 1.31 0.02 0.00 0.00 0.00 0.00 61.98 63.23 2r52 s VAL 126 Cb -0.15 -4.02 -0.17 0.00 0.00 0.00 0.00 36.38 32.04 2r52 s VAL 126 CO 0.05 -0.03 -0.22 -1.14 0.00 0.00 0.00 175.10 173.76 2r52 n ARG 127 N 5.86 0.64 -3.86 2.72 3.00 0.47 -4.81 116.66 120.68 2r52 n ARG 127 Ca 0.02 0.14 -0.11 0.00 -0.00 0.00 0.00 57.85 57.90 2r52 n ARG 127 Cb 0.48 -1.51 -0.10 0.00 0.00 0.00 0.00 32.46 31.34 2r52 n ARG 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2r52 s ALA 128 N -2.51 -0.37 0.26 5.13 0.00 -1.17 -4.94 121.76 118.17 2r52 s ALA 128 Ca -0.34 -0.10 0.10 0.00 0.00 0.00 0.00 51.96 51.63 2r52 s ALA 128 Cb 0.09 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.27 2r52 s ALA 128 CO 0.59 -0.22 -0.17 0.00 0.00 0.00 0.00 175.76 175.97 2r52 s GLY 130 N -3.46 -0.20 -0.24 0.00 0.00 0.59 -4.73 107.32 99.29 2r52 s GLY 130 Ca 0.28 0.01 -0.16 0.00 0.00 0.00 0.00 44.72 44.85 2r52 s GLY 130 CO 0.13 -0.02 0.41 0.00 0.00 0.00 0.00 173.10 173.62