#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r13 s ASN 31 N 0.00 6.27 0.44 -3.46 3.84 -1.26 -4.91 114.94 115.86 2r13 s ASN 31 Ca 0.00 -0.68 0.30 0.00 0.21 0.00 0.00 52.86 52.69 2r13 s ASN 31 Cb 0.00 -2.35 1.51 0.00 -0.55 0.00 0.00 41.25 39.86 2r13 s ASN 31 CO 0.00 -1.03 1.91 0.00 -2.79 0.00 0.00 177.10 175.19 2r13 h ALA 32 N 9.12 1.00 0.00 1.71 0.00 -2.08 -2.24 119.26 126.77 2r13 h ALA 32 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2r13 h ALA 32 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2r13 h ALA 32 CO 1.02 0.00 0.00 0.54 0.00 0.00 0.00 179.25 180.81 2r13 n ARG 33 N -2.60 0.19 0.00 0.00 1.74 -1.26 -2.03 116.66 112.70 2r13 n ARG 33 Ca -0.01 0.50 0.13 0.00 -0.77 0.00 0.00 57.85 57.70 2r13 n ARG 33 Cb 0.12 -1.92 0.35 0.00 -1.02 0.00 0.00 32.46 29.99 2r13 n ARG 33 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2r13 n PHE 34 N -2.29 0.00 -4.11 -1.55 3.72 -0.84 -4.93 117.46 107.46 2r13 n PHE 34 Ca 0.01 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.06 2r13 n PHE 34 Cb 0.17 -0.06 -0.12 0.00 -0.94 0.00 0.00 39.48 38.53 2r13 n PHE 34 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2r13 s TYR 35 N -2.31 3.07 -0.42 1.38 2.02 -0.86 -5.06 117.35 115.17 2r13 s TYR 35 Ca 0.28 -0.35 -0.27 0.00 -0.37 0.00 0.00 57.07 56.36 2r13 s TYR 35 Cb 0.20 -2.07 0.02 0.00 -0.40 0.00 0.00 41.96 39.71 2r13 s TYR 35 CO 0.45 -0.15 1.00 0.08 -1.57 0.00 0.00 175.55 175.37 2r13 s VAL 36 N 0.82 4.44 0.69 0.71 1.01 -1.26 -5.01 120.40 121.81 2r13 s VAL 36 Ca 0.01 1.15 -0.15 0.00 0.00 0.00 0.00 61.98 62.99 2r13 s VAL 36 Cb -0.14 -4.45 0.02 0.00 0.00 0.00 0.00 36.38 31.81 2r13 s VAL 36 CO 0.02 -0.74 1.14 -0.54 0.00 0.00 0.00 175.10 174.98 2r13 s LYS 37 N 3.85 2.54 -0.12 2.72 1.02 -1.26 -4.89 119.74 123.60 2r13 s LYS 37 Ca 0.41 1.49 -0.33 0.00 0.02 0.00 0.00 55.97 57.56 2r13 s LYS 37 Cb -0.10 -1.91 -0.16 0.00 -0.52 0.00 0.00 37.83 35.14 2r13 s LYS 37 CO 0.24 -1.47 0.96 -0.25 -0.92 0.00 0.00 175.35 173.91 2r13 n ASP 38 N -2.60 0.28 -3.53 2.83 9.92 -1.26 -4.95 116.55 117.23 2r13 n ASP 38 Ca 0.11 0.92 -0.12 0.00 -0.53 0.00 0.00 54.79 55.17 2r13 n ASP 38 Cb 0.52 -0.71 -0.04 0.00 -0.64 0.00 0.00 41.12 40.25 2r13 n ASP 38 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 2r13 s HIS 39 N 0.72 -0.40 0.09 1.24 -3.43 -1.26 -5.13 115.29 107.11 2r13 s HIS 39 Ca 0.75 0.23 -0.31 0.00 -0.80 0.00 0.00 55.06 54.92 2r13 s HIS 39 Cb -1.05 0.40 -0.08 0.00 -1.43 0.00 0.00 32.58 30.42 2r13 s HIS 39 CO 0.51 -0.74 1.48 0.50 -2.00 0.00 0.00 174.74 174.49 2r13 s ARG 40 N -3.39 4.26 0.29 -0.38 3.52 -1.26 -4.92 118.95 117.07 2r13 s ARG 40 Ca -0.00 2.16 -0.29 0.00 -0.13 0.00 0.00 55.73 57.46 2r13 s ARG 40 Cb 0.00 -3.39 -0.13 0.00 -1.56 0.00 0.00 34.95 29.87 2r13 s ARG 40 CO -0.09 -0.57 1.31 -1.71 -0.81 0.00 0.00 175.30 173.43 2r13 n ASN 41 N 4.66 2.58 -0.00 -2.12 5.15 -1.26 -4.93 115.26 119.35 2r13 n ASN 41 Ca 0.13 1.18 0.03 0.00 -0.60 0.00 0.00 54.58 55.32 2r13 n ASN 41 Cb 0.42 -1.44 -0.05 0.00 -0.53 0.00 0.00 39.78 38.18 2r13 n ASN 41 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2r13 n LYS 42 N 1.20 2.61 -2.87 1.20 5.02 -1.26 -5.06 118.16 119.00 2r13 n LYS 42 Ca 0.08 -0.03 -0.40 0.00 -2.02 0.00 0.00 58.31 55.95 2r13 n LYS 42 Cb 0.34 -0.98 -0.06 0.00 -0.02 0.00 0.00 35.03 34.30 2r13 n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2r13 s ALA 43 N -2.04 3.39 0.62 7.82 0.00 -1.26 -5.05 121.76 125.25 2r13 s ALA 43 Ca 0.00 0.48 -0.16 0.00 0.00 0.00 0.00 51.96 52.29 2r13 s ALA 43 Cb 0.05 -3.08 -0.02 0.00 0.00 0.00 0.00 23.12 20.07 2r13 s ALA 43 CO 0.29 0.25 1.10 -1.64 0.00 0.00 0.00 175.76 175.76 2r13 s MET 44 N -1.19 3.02 -0.21 0.00 -1.94 -1.26 -5.00 119.30 112.73 2r13 s MET 44 Ca 0.38 1.37 -0.17 0.00 -1.71 0.00 0.00 55.69 55.57 2r13 s MET 44 Cb -0.24 -1.98 -0.13 0.00 2.01 0.00 0.00 34.83 34.48 2r13 s MET 44 CO 0.29 -1.07 -0.03 -0.89 -0.01 0.00 0.00 175.02 173.31 2r13 n ILE 45 N -2.14 1.51 -3.17 2.53 5.41 -1.26 -4.88 119.36 117.35 2r13 n ILE 45 Ca 0.10 -0.03 -0.39 0.00 1.00 0.00 0.00 62.75 63.43 2r13 n ILE 45 Cb 0.52 -2.11 -0.05 0.00 -0.71 0.00 0.00 39.64 37.29 2r13 n ILE 45 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 2r13 s ASN 46 N -6.67 6.84 -0.01 4.38 2.47 -1.26 -4.88 114.94 115.82 2r13 s ASN 46 Ca -0.28 1.00 0.13 0.00 0.42 0.00 0.00 52.86 54.14 2r13 s ASN 46 Cb 0.07 -2.35 -0.16 0.00 -1.45 0.00 0.00 41.25 37.35 2r13 s ASN 46 CO 0.48 -0.07 0.47 0.18 -3.72 0.00 0.00 177.10 174.44 2r13 n LEU 47 N 3.80 0.42 0.00 3.21 4.77 -1.26 -4.88 117.00 123.06 2r13 n LEU 47 Ca -0.04 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 2r13 n LEU 47 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2r13 n LEU 47 CO 0.45 0.10 0.00 1.57 -1.33 0.00 0.00 177.39 178.19 2r13 n HIS 48 N -1.52 0.00 -2.48 -1.77 -0.00 -1.26 -5.08 115.22 103.11 2r13 n HIS 48 Ca 0.01 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.31 2r13 n HIS 48 Cb 0.25 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.21 2r13 n HIS 48 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2r13 s ILE 49 N -0.71 4.13 -1.37 3.57 1.01 -1.26 -4.09 121.20 122.49 2r13 s ILE 49 Ca 0.00 1.57 -0.19 0.00 0.00 0.00 0.00 60.65 62.03 2r13 s ILE 49 Cb 0.00 -4.01 0.03 0.00 0.01 0.00 0.00 42.46 38.49 2r13 s ILE 49 CO 0.00 0.14 0.37 0.00 0.00 0.00 0.00 174.94 175.46 2r13 n GLN 50 N 3.69 -0.58 0.00 2.79 6.02 -1.26 -4.81 117.38 123.23 2r13 n GLN 50 Ca 0.08 0.08 0.11 0.00 -0.01 0.00 0.00 57.00 57.26 2r13 n GLN 50 Cb 0.47 -3.00 0.60 0.00 1.02 0.00 0.00 30.24 29.34 2r13 n GLN 50 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2r13 n LYS 51 N -4.86 0.43 0.00 -1.09 4.76 -1.26 -1.42 118.16 114.73 2r13 n LYS 51 Ca -0.21 0.05 0.13 0.00 -2.87 0.00 0.00 58.31 55.42 2r13 n LYS 51 Cb 0.62 -1.50 0.44 0.00 -1.84 0.00 0.00 35.03 32.76 2r13 n LYS 51 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2r13 n ASP 52 N -1.21 0.89 -4.61 4.39 8.00 -1.26 -4.80 116.55 117.95 2r13 n ASP 52 Ca 0.13 -0.83 -0.39 0.00 0.71 0.00 0.00 54.79 54.41 2r13 n ASP 52 Cb 0.15 0.07 -0.09 0.00 -0.02 0.00 0.00 41.12 41.24 2r13 n ASP 52 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2r13 s ASN 53 N -2.48 6.28 0.52 -2.24 3.84 -0.50 -4.98 114.94 115.38 2r13 s ASN 53 Ca 0.26 0.32 0.33 0.00 0.21 0.00 0.00 52.86 53.98 2r13 s ASN 53 Cb 0.19 -2.22 1.40 0.00 -0.55 0.00 0.00 41.25 40.08 2r13 s ASN 53 CO 0.50 -0.19 1.98 1.55 -2.79 0.00 0.00 177.10 178.15 2r13 h PRO 54 N 8.12 0.00 -1.40 0.43 0.13 -1.87 -3.41 132.00 134.00 2r13 h PRO 54 Ca -0.31 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.79 2r13 h PRO 54 Cb 1.16 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.04 2r13 h PRO 54 CO 0.65 0.00 -0.37 0.21 -0.23 0.00 0.00 178.00 178.26 2r13 s LYS 55 N -3.66 0.47 -0.33 0.86 2.20 -1.26 -5.13 119.74 112.89 2r13 s LYS 55 Ca 0.01 0.75 -0.24 0.00 -0.36 0.00 0.00 55.97 56.13 2r13 s LYS 55 Cb 0.09 0.08 0.01 0.00 -1.51 0.00 0.00 37.83 36.50 2r13 s LYS 55 CO 0.51 -0.67 0.83 0.42 -0.36 0.00 0.00 175.35 176.09 2r13 s ILE 56 N 2.71 4.72 -0.02 5.43 1.01 -1.26 -5.02 121.20 128.77 2r13 s ILE 56 Ca 0.17 1.16 0.04 0.00 0.00 0.00 0.00 60.65 62.02 2r13 s ILE 56 Cb -0.15 -4.22 -0.01 0.00 0.01 0.00 0.00 42.46 38.10 2r13 s ILE 56 CO -0.19 -0.36 -0.15 -0.69 0.00 0.00 0.00 174.94 173.54 2r13 s VAL 57 N 3.14 1.19 -0.03 2.92 1.01 -1.26 -5.14 120.40 122.23 2r13 s VAL 57 Ca 0.34 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 61.77 2r13 s VAL 57 Cb -0.13 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 2r13 s VAL 57 CO 0.15 0.34 -0.26 -1.00 0.00 0.00 0.00 175.10 174.33 2r13 s HIS 58 N -0.19 2.35 -0.06 5.22 3.76 -1.26 -5.13 115.29 119.99 2r13 s HIS 58 Ca 0.02 -0.48 -0.00 0.00 -0.15 0.00 0.00 55.06 54.45 2r13 s HIS 58 Cb -0.08 -1.52 0.02 0.00 1.11 0.00 0.00 32.58 32.12 2r13 s HIS 58 CO 0.00 -0.06 -0.02 0.00 -0.85 0.00 0.00 174.74 173.80 2r13 s ALA 59 N -0.54 0.71 0.05 -1.40 0.00 -1.26 -5.14 121.76 114.18 2r13 s ALA 59 Ca 0.08 -0.10 0.07 0.00 0.00 0.00 0.00 51.96 52.01 2r13 s ALA 59 Cb -0.11 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 2r13 s ALA 59 CO -0.00 -0.23 -0.20 -0.06 0.00 0.00 0.00 175.76 175.27 2r13 s PHE 60 N 1.41 1.73 -0.11 0.00 0.08 -1.26 -5.13 117.98 114.70 2r13 s PHE 60 Ca -0.03 -0.38 -0.17 0.00 0.12 0.00 0.00 56.93 56.46 2r13 s PHE 60 Cb -0.13 -1.02 -0.04 0.00 -0.57 0.00 0.00 43.02 41.25 2r13 s PHE 60 CO -0.03 0.10 0.44 -0.51 -0.10 0.00 0.00 175.22 175.13 2r13 s ASP 61 N -1.30 6.66 0.29 1.36 1.01 -1.26 -4.98 116.67 118.46 2r13 s ASP 61 Ca 0.06 0.78 0.04 0.00 0.71 0.00 0.00 52.55 54.14 2r13 s ASP 61 Cb -0.09 -2.27 0.65 0.00 1.01 0.00 0.00 42.92 42.23 2r13 s ASP 61 CO 0.02 0.05 1.81 0.24 0.21 0.00 0.00 175.17 177.50 2r13 h MET 62 N 6.52 0.85 -1.18 8.23 2.86 -2.00 0.13 114.93 130.34 2r13 h MET 62 Ca -0.42 -0.05 0.34 0.00 -2.06 0.00 0.00 59.70 57.51 2r13 h MET 62 Cb 1.18 -0.19 -0.10 0.00 0.06 0.00 0.00 31.60 32.55 2r13 h MET 62 CO 0.74 0.56 0.77 0.93 1.06 0.00 0.00 176.91 180.98 2r13 h GLU 63 N 0.88 0.22 0.00 1.72 3.07 -2.00 0.50 114.58 118.97 2r13 h GLU 63 Ca 0.54 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.39 2r13 h GLU 63 Cb 0.70 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 2r13 h GLU 63 CO -0.32 0.14 -0.60 -0.44 -1.40 0.00 0.00 179.01 176.40 2r13 h ASP 64 N 0.23 0.00 -4.07 1.42 3.32 -1.14 -3.47 116.42 112.70 2r13 h ASP 64 Ca 0.68 -0.20 -0.47 0.00 0.02 0.00 0.00 57.03 57.06 2r13 h ASP 64 Cb 2.04 0.00 0.02 0.00 0.22 0.00 0.00 39.33 41.61 2r13 h ASP 64 CO -0.30 0.10 0.38 -0.76 -1.72 0.00 0.00 179.24 176.94 2r13 s LEU 65 N -4.27 3.85 0.00 1.55 1.02 0.16 -5.06 118.68 115.93 2r13 s LEU 65 Ca 0.06 1.92 0.00 0.00 0.02 0.00 0.00 54.13 56.14 2r13 s LEU 65 Cb 0.13 -4.56 0.00 0.00 0.02 0.00 0.00 46.19 41.78 2r13 s LEU 65 CO 0.72 -0.78 0.00 0.61 0.02 0.00 0.00 176.35 176.92 2r13 n GLY 66 N -0.26 1.15 0.23 -3.19 0.00 -1.26 -4.96 105.19 96.90 2r13 n GLY 66 Ca 0.09 -1.54 -0.07 0.00 0.00 0.00 0.00 46.02 44.50 2r13 n GLY 66 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2r13 h ASP 67 N 0.00 0.62 -3.49 1.61 3.32 -1.94 -3.40 116.42 113.14 2r13 h ASP 67 Ca 0.00 -0.27 -0.11 0.00 0.02 0.00 0.00 57.03 56.67 2r13 h ASP 67 Cb 0.00 -0.17 -0.25 0.00 0.22 0.00 0.00 39.33 39.12 2r13 h ASP 67 CO 0.00 0.94 -0.25 -0.75 -1.72 0.00 0.00 179.24 177.46 2r13 s LYS 68 N -4.30 0.45 -0.03 3.56 2.20 -1.26 0.53 119.74 120.88 2r13 s LYS 68 Ca -0.08 0.72 0.04 0.00 -0.36 0.00 0.00 55.97 56.30 2r13 s LYS 68 Cb 0.12 0.09 -0.00 0.00 -1.51 0.00 0.00 37.83 36.53 2r13 s LYS 68 CO 0.82 -0.12 -0.15 0.00 -0.36 0.00 0.00 175.35 175.55 2r13 s ALA 69 N 0.92 1.34 -0.25 3.13 0.00 0.37 -5.01 121.76 122.27 2r13 s ALA 69 Ca -0.06 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.32 2r13 s ALA 69 Cb -0.06 -0.44 0.06 0.00 0.00 0.00 0.00 23.12 22.68 2r13 s ALA 69 CO -0.07 0.25 -0.10 0.08 0.00 0.00 0.00 175.76 175.92 2r13 s VAL 70 N 0.01 2.01 -0.13 0.00 1.01 -1.26 -1.32 120.40 120.72 2r13 s VAL 70 Ca -0.02 -1.51 -0.06 0.00 0.00 0.00 0.00 61.98 60.39 2r13 s VAL 70 Cb -0.10 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 2r13 s VAL 70 CO 0.01 -0.02 0.09 -0.31 0.00 0.00 0.00 175.10 174.87 2r13 s TYR 71 N 1.18 3.41 0.15 5.22 2.02 0.81 -0.72 117.35 129.42 2r13 s TYR 71 Ca -0.08 0.34 -0.30 0.00 -0.37 0.00 0.00 57.07 56.66 2r13 s TYR 71 Cb -0.19 -1.95 -0.07 0.00 -0.40 0.00 0.00 41.96 39.34 2r13 s TYR 71 CO -0.06 0.52 1.19 0.00 -1.57 0.00 0.00 175.55 175.63 2r13 n ARG 73 N 2.85 2.53 0.00 0.00 1.74 -1.26 -4.70 116.66 117.82 2r13 n ARG 73 Ca 0.05 -1.64 0.03 0.00 -0.77 0.00 0.00 57.85 55.52 2r13 n ARG 73 Cb 0.45 -1.06 -0.03 0.00 -1.02 0.00 0.00 32.46 30.80 2r13 n ARG 73 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2r13 n TRP 75 N -1.14 -0.74 0.00 0.00 7.02 -1.26 -4.85 117.44 116.47 2r13 n TRP 75 Ca 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.49 2r13 n TRP 75 Cb 0.10 -3.24 0.00 0.00 -2.42 0.00 0.00 31.31 25.74 2r13 n TRP 75 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 2r13 n ARG 76 N -2.51 4.40 -2.06 -0.99 5.12 -1.26 -4.67 116.66 114.68 2r13 n ARG 76 Ca -0.19 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.32 2r13 n ARG 76 Cb 0.64 -0.68 -0.03 0.00 -1.16 0.00 0.00 32.46 31.24 2r13 n ARG 76 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2r13 s SER 77 N -1.35 6.72 0.38 0.55 0.15 -1.26 -4.87 113.70 114.02 2r13 s SER 77 Ca 0.00 2.55 0.28 0.00 0.70 0.00 0.00 55.95 59.48 2r13 s SER 77 Cb 0.00 -2.61 1.24 0.00 -1.71 0.00 0.00 66.02 62.94 2r13 s SER 77 CO 0.00 -0.68 1.83 0.11 1.20 0.00 0.00 173.24 175.71 2r13 h LYS 78 N 5.65 0.00 -0.37 5.44 1.57 -1.95 -2.66 116.57 124.25 2r13 h LYS 78 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2r13 h LYS 78 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2r13 h LYS 78 CO 0.81 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 181.32 2r13 n LYS 79 N -2.54 3.31 -1.50 3.15 5.02 -1.26 -5.04 118.16 119.30 2r13 n LYS 79 Ca 0.01 -2.77 -0.50 0.00 -2.02 0.00 0.00 58.31 53.03 2r13 n LYS 79 Cb 0.20 -1.82 -0.04 0.00 -0.02 0.00 0.00 35.03 33.35 2r13 n LYS 79 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2r13 n PHE 80 N 0.01 0.57 1.94 2.13 7.35 -1.01 -0.82 117.46 127.63 2r13 n PHE 80 Ca 0.21 0.86 0.08 0.00 -0.76 0.00 0.00 57.45 57.84 2r13 n PHE 80 Cb 0.86 -2.13 0.46 0.00 0.35 0.00 0.00 39.48 39.02 2r13 n PHE 80 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 2r13 n PRO 81 N 1.33 0.97 -3.49 -7.13 -0.04 -1.26 -5.09 135.00 120.29 2r13 n PRO 81 Ca 0.16 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.30 2r13 n PRO 81 Cb 0.22 -1.25 -0.05 0.00 -0.04 0.00 0.00 33.50 32.38 2r13 n PRO 81 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2r13 s PHE 82 N -2.00 3.47 0.06 0.54 0.08 -0.00 -0.76 117.98 119.36 2r13 s PHE 82 Ca 0.23 0.81 -0.30 0.00 0.12 0.00 0.00 56.93 57.79 2r13 s PHE 82 Cb 0.11 -2.20 -0.05 0.00 -0.57 0.00 0.00 43.02 40.31 2r13 s PHE 82 CO 0.18 0.35 0.99 0.00 -0.10 0.00 0.00 175.22 176.64 2r13 n ASP 84 N 3.34 2.13 0.00 0.00 5.75 -1.26 -4.93 116.55 121.57 2r13 n ASP 84 Ca 0.04 -2.33 0.00 0.00 -0.01 0.00 0.00 54.79 52.50 2r13 n ASP 84 Cb 0.50 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 2r13 n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2r13 n GLY 85 N -0.76 0.81 0.36 6.12 0.00 -1.26 -4.94 105.19 105.51 2r13 n GLY 85 Ca 0.05 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.25 2r13 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r13 h ALA 86 N 0.00 2.03 -0.52 4.61 0.00 -1.93 -1.70 119.26 121.74 2r13 h ALA 86 Ca 0.00 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.05 2r13 h ALA 86 Cb 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2r13 h ALA 86 CO 0.00 -0.45 0.40 1.12 0.00 0.00 0.00 179.25 180.32 2r13 h HIS 87 N 0.00 0.00 -0.40 0.00 2.07 -1.92 -1.61 115.15 113.30 2r13 h HIS 87 Ca 0.14 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.58 2r13 h HIS 87 Cb 0.73 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.70 2r13 h HIS 87 CO 0.00 0.00 -0.11 1.79 -3.07 0.00 0.00 177.93 176.54 2r13 h THR 88 N 0.00 1.25 -0.21 6.12 1.35 -1.65 0.95 112.91 120.73 2r13 h THR 88 Ca 0.25 -1.13 -0.07 0.00 -0.55 0.00 0.00 66.41 64.91 2r13 h THR 88 Cb 1.04 1.07 -0.00 0.00 -1.73 0.00 0.00 68.15 68.53 2r13 h THR 88 CO -0.00 0.38 -0.13 0.11 -0.25 0.00 0.00 175.52 175.63 2r13 h LYS 89 N 0.64 0.46 -0.24 4.72 1.57 -1.49 -2.10 116.57 120.13 2r13 h LYS 89 Ca 0.11 -0.21 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 2r13 h LYS 89 Cb 0.57 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 2r13 h LYS 89 CO 0.04 0.76 0.04 1.25 -0.57 0.00 0.00 179.45 180.96 2r13 h HIS 90 N 0.15 0.06 -0.59 -1.35 2.76 -1.17 -0.97 115.15 114.04 2r13 h HIS 90 Ca 0.04 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.20 2r13 h HIS 90 Cb 0.63 0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.57 2r13 h HIS 90 CO 0.07 0.01 0.25 -0.91 -1.30 0.00 0.00 177.93 176.05 2r13 h ASN 91 N 0.13 0.80 -0.51 3.26 2.35 -0.82 -1.20 115.58 119.59 2r13 h ASN 91 Ca 0.11 -0.16 -0.12 0.00 -0.55 0.00 0.00 56.30 55.58 2r13 h ASN 91 Cb 0.11 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 2r13 h ASN 91 CO -0.15 0.74 -0.15 -0.08 -1.65 0.00 0.00 177.43 176.14 2r13 h GLU 92 N 0.81 1.01 -0.02 0.81 4.57 -1.25 -0.31 114.58 120.20 2r13 h GLU 92 Ca 0.20 -0.39 -0.19 0.00 -1.18 0.00 0.00 59.36 57.80 2r13 h GLU 92 Cb 0.18 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 2r13 h GLU 92 CO -0.02 1.07 -0.81 0.93 -1.18 0.00 0.00 179.01 179.00 2r13 h GLU 93 N 0.88 0.25 0.00 1.92 5.08 -0.96 -3.35 114.58 118.40 2r13 h GLU 93 Ca 0.13 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2r13 h GLU 93 Cb 0.72 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2r13 h GLU 93 CO 0.05 0.93 -0.67 0.25 -1.00 0.00 0.00 179.01 178.57 2r13 n THR 94 N -3.73 0.00 -1.00 1.13 -2.24 -0.47 -4.99 114.28 102.98 2r13 n THR 94 Ca -0.04 -0.26 -0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2r13 n THR 94 Cb 0.76 0.86 -0.00 0.00 -2.10 0.00 0.00 70.33 69.84 2r13 n THR 94 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2r13 n GLY 95 N 1.37 0.49 3.76 3.38 0.00 -0.14 -5.05 105.19 109.00 2r13 n GLY 95 Ca 0.01 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 2r13 n GLY 95 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2r13 n ASP 96 N 0.18 -0.71 -2.22 1.61 -0.08 -1.12 -5.01 116.55 109.19 2r13 n ASP 96 Ca -0.00 -1.37 0.01 0.00 -1.51 0.00 0.00 54.79 51.92 2r13 n ASP 96 Cb 0.00 -1.02 0.04 0.00 2.34 0.00 0.00 41.12 42.48 2r13 n ASP 96 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 2r13 n ASN 97 N -4.25 0.86 -4.89 1.67 6.94 -1.26 -4.63 115.26 109.70 2r13 n ASN 97 Ca 0.16 -2.03 -0.29 0.00 -0.02 0.00 0.00 54.58 52.40 2r13 n ASN 97 Cb 0.59 -0.23 -0.01 0.00 -2.36 0.00 0.00 39.78 37.76 2r13 n ASN 97 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 2r13 s VAL 98 N -1.78 4.83 0.34 3.53 -7.23 -1.26 -5.08 120.40 113.74 2r13 s VAL 98 Ca 0.25 0.47 -0.16 0.00 -1.81 0.00 0.00 61.98 60.74 2r13 s VAL 98 Cb 0.33 -3.80 0.04 0.00 0.56 0.00 0.00 36.38 33.51 2r13 s VAL 98 CO -0.09 -0.72 0.72 -0.83 -0.31 0.00 0.00 175.10 173.87 2r13 s GLY 99 N -3.65 0.35 0.93 2.32 0.00 -1.26 -4.88 107.32 101.13 2r13 s GLY 99 Ca 0.50 -0.70 -0.14 0.00 0.00 0.00 0.00 44.72 44.38 2r13 s GLY 99 CO 0.39 -0.33 1.21 2.56 0.00 0.00 0.00 173.10 176.93 2r13 s PRO 100 N -2.94 0.93 -0.16 2.90 0.04 -1.26 -4.36 135.00 130.15 2r13 s PRO 100 Ca 0.16 -0.02 -0.02 0.00 0.04 0.00 0.00 61.00 61.16 2r13 s PRO 100 Cb -0.05 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 2r13 s PRO 100 CO 0.11 -2.28 -0.08 -1.17 0.04 0.00 0.00 177.00 173.62 2r13 s LEU 101 N -5.97 2.90 -0.14 -3.56 2.96 -0.19 -4.94 118.68 109.75 2r13 s LEU 101 Ca 0.67 -0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 54.27 2r13 s LEU 101 Cb -0.10 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 2r13 s LEU 101 CO 0.52 0.12 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.96 2r13 s ILE 102 N 0.65 3.54 -0.14 6.68 1.01 -1.26 -0.13 121.20 131.55 2r13 s ILE 102 Ca -0.05 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.14 2r13 s ILE 102 Cb -0.15 -2.52 0.01 0.00 0.01 0.00 0.00 42.46 39.81 2r13 s ILE 102 CO 0.02 0.51 -0.21 -0.63 0.00 0.00 0.00 174.94 174.63 2r13 s ILE 103 N 0.28 2.13 0.11 2.92 -1.09 -0.44 -5.00 121.20 120.11 2r13 s ILE 103 Ca -0.06 -0.96 0.05 0.00 -2.23 0.00 0.00 60.65 57.45 2r13 s ILE 103 Cb -0.15 -1.85 -0.04 0.00 -1.58 0.00 0.00 42.46 38.85 2r13 s ILE 103 CO 0.04 0.55 -0.12 -1.59 -1.23 0.00 0.00 174.94 172.58 2r13 s LYS 104 N 0.78 0.93 0.00 2.79 -2.85 -1.26 -0.48 119.74 119.65 2r13 s LYS 104 Ca -0.08 -1.18 0.00 0.00 -1.00 0.00 0.00 55.97 53.71 2r13 s LYS 104 Cb -0.16 -0.75 0.00 0.00 -2.06 0.00 0.00 37.83 34.87 2r13 s LYS 104 CO -0.01 0.14 0.00 1.63 0.10 0.00 0.00 175.35 177.21