#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1spk n SER 2 N 0.00 -6.86 -0.94 1.61 7.64 -1.26 -4.58 113.62 109.22 1spk n SER 2 Ca 0.00 0.95 0.08 0.00 1.01 0.00 0.00 58.87 60.92 1spk n SER 2 Cb 0.00 -4.19 0.22 0.00 -1.01 0.00 0.00 64.21 59.22 1spk n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1spk n SER 3 N -4.24 3.31 -3.66 6.43 3.41 -1.26 -4.82 113.62 112.79 1spk n SER 3 Ca -0.05 -1.97 -0.29 0.00 -0.26 0.00 0.00 58.87 56.31 1spk n SER 3 Cb 0.62 -0.32 -0.15 0.00 -0.26 0.00 0.00 64.21 64.10 1spk n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1spk s GLY 4 N -1.04 0.75 -0.07 5.00 0.00 -1.26 -5.00 107.32 105.69 1spk s GLY 4 Ca 0.34 -1.16 0.01 0.00 0.00 0.00 0.00 44.72 43.91 1spk s GLY 4 CO 0.24 1.72 -0.09 -0.56 0.00 0.00 0.00 173.10 174.41 1spk s SER 5 N 1.87 1.72 -1.06 1.64 0.01 -1.26 -5.07 113.70 111.56 1spk s SER 5 Ca 0.06 -0.26 -0.23 0.00 1.31 0.00 0.00 55.95 56.84 1spk s SER 5 Cb -0.17 -0.75 -0.00 0.00 0.21 0.00 0.00 66.02 65.31 1spk s SER 5 CO -0.24 -0.03 1.75 -0.44 0.41 0.00 0.00 173.24 174.69 1spk s SER 6 N 1.05 5.83 -0.42 2.44 0.01 -1.26 -4.56 113.70 116.79 1spk s SER 6 Ca -0.08 -1.40 0.08 0.00 1.31 0.00 0.00 55.95 55.87 1spk s SER 6 Cb -0.14 -2.57 0.37 0.00 0.21 0.00 0.00 66.02 63.88 1spk s SER 6 CO -0.01 -2.16 1.24 0.61 0.41 0.00 0.00 173.24 173.33 1spk n GLY 7 N 6.43 1.14 3.11 3.44 0.00 -1.26 -4.69 105.19 113.35 1spk n GLY 7 Ca 0.40 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 1spk n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1spk n GLN 8 N -0.20 -0.61 -4.90 1.61 3.00 -1.26 -4.00 117.38 111.02 1spk n GLN 8 Ca 0.02 -0.17 -0.31 0.00 -0.01 0.00 0.00 57.00 56.53 1spk n GLN 8 Cb 0.79 -1.28 -0.14 0.00 0.00 0.00 0.00 30.24 29.61 1spk n GLN 8 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1spk s LYS 9 N -2.57 1.99 0.12 -1.09 1.02 -1.26 -1.00 119.74 116.95 1spk s LYS 9 Ca 0.44 -1.01 0.06 0.00 0.02 0.00 0.00 55.97 55.48 1spk s LYS 9 Cb 0.00 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 35.19 1spk s LYS 9 CO 0.67 0.54 -0.14 0.14 -0.92 0.00 0.00 175.35 175.64 1spk s VAL 10 N -0.80 1.31 -0.08 3.17 -7.23 -0.98 -1.89 120.40 113.90 1spk s VAL 10 Ca 0.12 -1.72 0.05 0.00 -1.81 0.00 0.00 61.98 58.62 1spk s VAL 10 Cb -0.10 -1.53 -0.00 0.00 0.56 0.00 0.00 36.38 35.31 1spk s VAL 10 CO 0.02 -0.43 -0.24 -0.75 -0.31 0.00 0.00 175.10 173.39 1spk s LYS 11 N -2.70 2.87 0.02 4.82 2.20 0.38 -2.42 119.74 124.92 1spk s LYS 11 Ca 0.09 -0.89 -0.30 0.00 -0.36 0.00 0.00 55.97 54.51 1spk s LYS 11 Cb -0.05 -2.25 -0.05 0.00 -1.51 0.00 0.00 37.83 33.98 1spk s LYS 11 CO 0.03 0.25 1.18 0.95 -0.36 0.00 0.00 175.35 177.40 1spk s THR 12 N 0.16 4.18 -2.22 3.43 -4.23 -1.15 0.37 115.64 116.18 1spk s THR 12 Ca -0.13 1.55 0.24 0.00 -1.18 0.00 0.00 61.69 62.17 1spk s THR 12 Cb -0.16 -4.00 0.13 0.00 1.34 0.00 0.00 72.50 69.81 1spk s THR 12 CO 0.07 0.09 1.27 2.30 -0.54 0.00 0.00 174.62 177.80 1spk n ILE 13 N 4.12 0.00 -3.63 2.99 -5.35 -1.07 -1.79 119.36 114.63 1spk n ILE 13 Ca 0.09 -0.28 -0.14 0.00 -0.27 0.00 0.00 62.75 62.15 1spk n ILE 13 Cb 0.47 1.08 -0.06 0.00 -1.74 0.00 0.00 39.64 39.39 1spk n ILE 13 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1spk s PHE 14 N -2.35 -0.35 0.45 4.28 0.08 -1.26 -4.97 117.98 113.86 1spk s PHE 14 Ca 0.23 0.41 -0.22 0.00 0.12 0.00 0.00 56.93 57.47 1spk s PHE 14 Cb 0.19 0.27 -0.09 0.00 -0.57 0.00 0.00 43.02 42.82 1spk s PHE 14 CO 0.49 -0.58 1.05 -1.25 -0.10 0.00 0.00 175.22 174.82 1spk s PRO 15 N -2.21 3.96 -0.02 0.24 0.04 -1.26 -4.35 135.00 131.40 1spk s PRO 15 Ca -0.07 1.44 -0.01 0.00 0.04 0.00 0.00 61.00 62.40 1spk s PRO 15 Cb -0.01 -2.30 0.02 0.00 0.04 0.00 0.00 34.50 32.25 1spk s PRO 15 CO -0.00 -0.30 0.03 -1.58 0.04 0.00 0.00 177.00 175.19 1spk s HIS 16 N -1.83 -0.01 -0.01 0.56 2.46 -1.24 -4.98 115.29 110.24 1spk s HIS 16 Ca 0.63 0.12 0.04 0.00 0.47 0.00 0.00 55.06 56.32 1spk s HIS 16 Cb -0.19 -0.11 -0.01 0.00 -0.13 0.00 0.00 32.58 32.14 1spk s HIS 16 CO 0.24 -0.06 -0.12 0.99 -2.47 0.00 0.00 174.74 173.31 1spk s THR 17 N 0.60 0.95 -1.02 0.89 2.01 -1.26 -2.97 115.64 114.85 1spk s THR 17 Ca -0.05 -0.53 -0.23 0.00 0.31 0.00 0.00 61.69 61.20 1spk s THR 17 Cb -0.07 -0.80 0.06 0.00 0.01 0.00 0.00 72.50 71.70 1spk s THR 17 CO -0.02 0.26 1.42 0.00 -0.69 0.00 0.00 174.62 175.60 1spk s ALA 18 N -0.30 2.78 0.00 7.40 0.00 -1.26 -4.93 121.76 125.45 1spk s ALA 18 Ca 0.05 -2.32 0.00 0.00 0.00 0.00 0.00 51.96 49.69 1spk s ALA 18 Cb -0.05 -4.49 0.00 0.00 0.00 0.00 0.00 23.12 18.59 1spk s ALA 18 CO -0.00 -3.56 0.00 0.41 0.00 0.00 0.00 175.76 172.61 1spk n GLY 19 N 6.74 -1.69 0.08 0.00 0.00 -1.26 -4.67 105.19 104.39 1spk n GLY 19 Ca 0.32 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.19 1spk n GLY 19 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1spk h ASN 20 N 0.00 0.14 -3.72 1.61 -1.24 -2.04 -3.46 115.58 106.87 1spk h ASN 20 Ca 0.00 -0.88 -0.54 0.00 0.71 0.00 0.00 56.30 55.59 1spk h ASN 20 Cb 0.00 -0.05 0.19 0.00 0.73 0.00 0.00 38.32 39.20 1spk h ASN 20 CO 0.00 1.01 -0.10 0.59 -1.29 0.00 0.00 177.43 177.64 1spk n ASN 21 N -4.52 -0.40 -3.81 1.15 3.02 -1.26 -4.97 115.26 104.47 1spk n ASN 21 Ca -0.10 0.52 -0.28 0.00 -0.03 0.00 0.00 54.58 54.68 1spk n ASN 21 Cb 0.52 -1.35 -0.12 0.00 -0.61 0.00 0.00 39.78 38.22 1spk n ASN 21 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1spk s LYS 22 N -3.62 2.01 0.00 3.52 2.20 -1.26 -4.70 119.74 117.89 1spk s LYS 22 Ca 0.67 -2.88 0.00 0.00 -0.36 0.00 0.00 55.97 53.39 1spk s LYS 22 Cb -0.29 -2.98 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 1spk s LYS 22 CO 0.57 -1.26 0.00 -2.37 -0.36 0.00 0.00 175.35 171.94 1spk n THR 23 N 2.48 0.00 -1.42 3.43 5.66 -1.26 -5.08 114.28 118.09 1spk n THR 23 Ca 0.17 0.00 -0.51 0.00 -3.05 0.00 0.00 64.05 60.67 1spk n THR 23 Cb 0.36 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.06 1spk n THR 23 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1spk n LEU 24 N -0.88 1.77 -4.58 1.09 7.99 -1.26 -1.93 117.00 119.20 1spk n LEU 24 Ca 0.00 0.38 -0.45 0.00 -0.01 0.00 0.00 56.01 55.93 1spk n LEU 24 Cb 0.00 -1.20 -0.04 0.00 -0.11 0.00 0.00 43.42 42.07 1spk n LEU 24 CO 0.00 -0.79 1.77 -0.11 -1.51 0.00 0.00 177.39 176.75 1spk n LEU 25 N 9.86 3.14 -4.75 2.23 7.94 -1.14 -4.02 117.00 130.27 1spk n LEU 25 Ca 0.45 0.42 -0.41 0.00 -1.11 0.00 0.00 56.01 55.37 1spk n LEU 25 Cb 0.19 -1.47 -0.04 0.00 0.53 0.00 0.00 43.42 42.63 1spk n LEU 25 CO 0.79 -0.52 0.80 -0.55 -1.11 0.00 0.00 177.39 176.80 1spk s SER 26 N 7.15 7.25 0.03 1.96 0.15 -1.26 -4.77 113.70 124.21 1spk s SER 26 Ca 1.00 2.23 -0.21 0.00 0.70 0.00 0.00 55.95 59.67 1spk s SER 26 Cb -0.50 -2.62 0.07 0.00 -1.71 0.00 0.00 66.02 61.26 1spk s SER 26 CO 0.41 -0.19 0.96 2.22 1.20 0.00 0.00 173.24 177.84 1spk n PHE 27 N 1.59 -0.59 -4.44 3.44 1.16 -1.16 -5.02 117.46 112.44 1spk n PHE 27 Ca 0.00 -0.70 -0.25 0.00 -1.87 0.00 0.00 57.45 54.63 1spk n PHE 27 Cb 0.45 0.33 -0.13 0.00 -1.61 0.00 0.00 39.48 38.52 1spk n PHE 27 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1spk s ALA 28 N -1.81 1.89 -0.03 1.98 0.00 -1.26 -3.71 121.76 118.81 1spk s ALA 28 Ca 0.22 -1.22 -0.37 0.00 0.00 0.00 0.00 51.96 50.59 1spk s ALA 28 Cb -0.01 -0.30 -0.15 0.00 0.00 0.00 0.00 23.12 22.65 1spk s ALA 28 CO 0.01 0.40 1.56 0.94 0.00 0.00 0.00 175.76 178.68 1spk n GLN 29 N 1.33 1.42 0.00 0.00 7.27 -1.26 -1.18 117.38 124.96 1spk n GLN 29 Ca -0.18 0.52 0.00 0.00 0.07 0.00 0.00 57.00 57.40 1spk n GLN 29 Cb 0.53 -2.21 0.00 0.00 2.41 0.00 0.00 30.24 30.97 1spk n GLN 29 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1spk n GLY 30 N 3.39 1.43 3.54 1.69 0.00 -0.74 -5.00 105.19 109.49 1spk n GLY 30 Ca 0.21 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1spk n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1spk n ASP 31 N 0.05 -0.34 -4.45 1.61 9.92 -0.33 -4.64 116.55 118.37 1spk n ASP 31 Ca 0.00 0.67 -0.33 0.00 -0.53 0.00 0.00 54.79 54.60 1spk n ASP 31 Cb 0.00 -1.30 -0.13 0.00 -0.64 0.00 0.00 41.12 39.05 1spk n ASP 31 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1spk s VAL 32 N -1.79 3.31 -0.01 2.53 1.01 -1.26 -2.94 120.40 121.25 1spk s VAL 32 Ca 0.70 -0.59 0.07 0.00 0.00 0.00 0.00 61.98 62.16 1spk s VAL 32 Cb -0.37 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 1spk s VAL 32 CO 0.53 0.55 -0.23 -0.76 0.00 0.00 0.00 175.10 175.18 1spk s LEU 33 N -0.09 2.07 -0.22 3.92 1.43 -1.01 -3.30 118.68 121.47 1spk s LEU 33 Ca -0.01 -0.44 -0.16 0.00 -1.03 0.00 0.00 54.13 52.49 1spk s LEU 33 Cb -0.14 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 1spk s LEU 33 CO 0.03 0.27 0.42 -0.89 0.23 0.00 0.00 176.35 176.42 1spk s THR 34 N -0.59 5.17 0.41 5.49 2.01 0.46 -2.32 115.64 126.26 1spk s THR 34 Ca 0.09 0.72 -0.25 0.00 0.31 0.00 0.00 61.69 62.56 1spk s THR 34 Cb -0.09 -3.75 -0.08 0.00 0.01 0.00 0.00 72.50 68.59 1spk s THR 34 CO -0.00 0.20 1.17 -0.76 -0.69 0.00 0.00 174.62 174.54 1spk s LEU 35 N 1.65 4.17 -0.10 4.42 1.02 -0.17 0.20 118.68 129.86 1spk s LEU 35 Ca 0.19 2.34 -0.03 0.00 0.02 0.00 0.00 54.13 56.66 1spk s LEU 35 Cb -0.15 -4.05 -0.05 0.00 0.02 0.00 0.00 46.19 41.96 1spk s LEU 35 CO 0.09 -0.70 -0.12 0.18 0.02 0.00 0.00 176.35 175.82 1spk n LEU 36 N 0.01 1.68 -4.76 1.79 4.77 -1.22 -4.23 117.00 115.04 1spk n LEU 36 Ca 0.05 0.05 -0.36 0.00 -0.03 0.00 0.00 56.01 55.72 1spk n LEU 36 Cb 0.47 -0.33 -0.08 0.00 -2.33 0.00 0.00 43.42 41.15 1spk n LEU 36 CO 0.50 0.41 -0.23 0.27 -1.33 0.00 0.00 177.39 177.01 1spk s ILE 37 N -2.20 4.99 -0.55 -0.08 -4.36 -1.26 -4.84 121.20 112.90 1spk s ILE 37 Ca -0.14 0.02 0.25 0.00 -0.26 0.00 0.00 60.65 60.52 1spk s ILE 37 Cb 0.05 -3.17 0.28 0.00 1.25 0.00 0.00 42.46 40.87 1spk s ILE 37 CO 0.20 0.57 1.75 1.55 0.24 0.00 0.00 174.94 179.26 1spk h PRO 38 N 5.48 0.00 -6.96 0.37 0.13 -1.95 -3.45 132.00 125.62 1spk h PRO 38 Ca -0.49 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.17 1spk h PRO 38 Cb 1.20 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.40 1spk h PRO 38 CO 0.60 0.00 0.04 -1.21 -0.23 0.00 0.00 178.00 177.20 1spk s GLU 39 N -3.24 1.92 0.00 0.86 0.41 -1.26 -5.12 118.70 112.28 1spk s GLU 39 Ca 0.07 -1.21 0.05 0.00 -0.41 0.00 0.00 54.97 53.47 1spk s GLU 39 Cb 0.10 -2.43 -0.01 0.00 -1.78 0.00 0.00 34.13 30.01 1spk s GLU 39 CO 0.51 -1.22 -0.16 -1.83 -0.49 0.00 0.00 175.26 172.07 1spk s GLU 40 N -4.98 1.23 -1.57 1.61 -1.05 -1.26 -4.69 118.70 107.99 1spk s GLU 40 Ca 0.64 -0.62 -0.11 0.00 -0.15 0.00 0.00 54.97 54.73 1spk s GLU 40 Cb -0.06 -1.21 -0.04 0.00 -0.44 0.00 0.00 34.13 32.38 1spk s GLU 40 CO 0.42 0.32 2.72 1.17 0.95 0.00 0.00 175.26 180.85 1spk n LYS 41 N 2.51 3.47 -3.13 -4.83 0.00 0.50 -4.50 118.16 112.17 1spk n LYS 41 Ca -0.15 -2.36 -0.03 0.00 0.00 0.00 0.00 58.31 55.76 1spk n LYS 41 Cb 0.55 -2.95 0.00 0.00 0.00 0.00 0.00 35.03 32.63 1spk n LYS 41 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1spk n ASP 42 N 4.31 -7.47 0.00 3.14 8.00 -1.26 -2.74 116.55 120.52 1spk n ASP 42 Ca 0.70 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 56.06 1spk n ASP 42 Cb 0.28 -4.89 0.00 0.00 -0.02 0.00 0.00 41.12 36.49 1spk n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1spk n GLY 43 N -1.67 1.97 3.83 0.44 0.00 -1.26 -4.98 105.19 103.51 1spk n GLY 43 Ca -0.03 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 1spk n GLY 43 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1spk s TRP 44 N -0.51 3.30 0.05 1.61 0.52 -1.11 -0.79 118.94 122.01 1spk s TRP 44 Ca 0.00 1.53 0.03 0.00 0.02 0.00 0.00 56.10 57.67 1spk s TRP 44 Cb 0.00 -2.87 -0.03 0.00 -1.15 0.00 0.00 33.47 29.43 1spk s TRP 44 CO 0.00 -0.44 -0.09 -0.51 0.02 0.00 0.00 176.95 175.92 1spk s LEU 45 N -3.81 2.27 0.23 2.99 1.43 0.32 0.19 118.68 122.29 1spk s LEU 45 Ca 0.61 -0.58 0.07 0.00 -1.03 0.00 0.00 54.13 53.20 1spk s LEU 45 Cb -0.11 -0.23 -0.04 0.00 0.03 0.00 0.00 46.19 45.84 1spk s LEU 45 CO 0.26 -0.19 0.16 -0.47 0.23 0.00 0.00 176.35 176.34 1spk s TYR 46 N -1.43 3.08 -0.00 0.29 5.04 -1.26 -1.87 117.35 121.20 1spk s TYR 46 Ca -0.08 -0.09 -0.08 0.00 -2.44 0.00 0.00 57.07 54.38 1spk s TYR 46 Cb -0.10 -1.42 0.03 0.00 0.35 0.00 0.00 41.96 40.83 1spk s TYR 46 CO 0.01 0.53 0.38 0.41 -1.34 0.00 0.00 175.55 175.53 1spk n GLY 47 N -0.90 0.57 3.34 8.97 0.00 -1.25 -3.41 105.19 112.51 1spk n GLY 47 Ca -0.08 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 1spk n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1spk s GLU 48 N -2.01 1.90 0.04 1.61 2.12 0.52 -3.54 118.70 119.34 1spk s GLU 48 Ca 0.09 -1.05 -0.24 0.00 0.36 0.00 0.00 54.97 54.12 1spk s GLU 48 Cb -0.00 -2.00 -0.05 0.00 0.26 0.00 0.00 34.13 32.33 1spk s GLU 48 CO -0.00 0.53 0.75 -1.58 -0.54 0.00 0.00 175.26 174.42 1spk s HIS 49 N -0.75 3.73 -0.31 5.30 5.65 -0.53 -0.41 115.29 127.98 1spk s HIS 49 Ca 0.11 1.45 -0.03 0.00 0.25 0.00 0.00 55.06 56.84 1spk s HIS 49 Cb -0.10 -2.80 0.06 0.00 -1.18 0.00 0.00 32.58 28.56 1spk s HIS 49 CO 0.01 0.28 2.60 -3.47 -0.65 0.00 0.00 174.74 173.52 1spk n ASP 50 N 2.79 6.21 0.05 9.88 2.03 -1.21 -2.70 116.55 133.60 1spk n ASP 50 Ca -0.03 -2.99 0.00 0.00 0.52 0.00 0.00 54.79 52.29 1spk n ASP 50 Cb 0.50 -1.20 0.00 0.00 -0.72 0.00 0.00 41.12 39.71 1spk n ASP 50 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1spk n THR 51 N 0.99 0.00 0.22 5.18 -1.04 -1.26 -4.92 114.28 113.45 1spk n THR 51 Ca 0.38 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.49 1spk n THR 51 Cb 0.61 -0.02 0.42 0.00 -1.82 0.00 0.00 70.33 69.53 1spk n THR 51 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1spk h THR 52 N 0.00 0.59 0.00 12.58 1.35 -1.96 -3.46 112.91 122.01 1spk h THR 52 Ca 0.00 -1.20 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 1spk h THR 52 Cb 0.00 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 1spk h THR 52 CO 0.00 0.24 0.00 0.29 -0.25 0.00 0.00 175.52 175.80 1spk n LYS 53 N -3.39 0.00 -3.54 4.72 4.76 -1.10 -5.00 118.16 114.61 1spk n LYS 53 Ca 0.00 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.20 1spk n LYS 53 Cb 0.45 -2.61 -0.02 0.00 -1.84 0.00 0.00 35.03 31.02 1spk n LYS 53 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1spk s ALA 54 N -3.74 3.76 -0.05 7.82 0.00 -1.26 -4.76 121.76 123.54 1spk s ALA 54 Ca 0.00 -0.96 0.07 0.00 0.00 0.00 0.00 51.96 51.07 1spk s ALA 54 Cb 0.00 -2.02 -0.01 0.00 0.00 0.00 0.00 23.12 21.08 1spk s ALA 54 CO 0.00 0.10 -0.25 1.03 0.00 0.00 0.00 175.76 176.64 1spk s ARG 55 N -4.10 2.41 0.00 0.00 3.00 -1.26 -1.45 118.95 117.54 1spk s ARG 55 Ca 0.39 -0.91 0.00 0.00 0.00 0.00 0.00 55.73 55.21 1spk s ARG 55 Cb -0.10 -2.13 0.00 0.00 0.00 0.00 0.00 34.95 32.72 1spk s ARG 55 CO 0.34 0.45 0.00 0.41 0.00 0.00 0.00 175.30 176.49 1spk n GLY 56 N 2.76 4.52 3.49 -3.53 0.00 -1.23 -4.94 105.19 106.26 1spk n GLY 56 Ca -0.17 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 43.72 1spk n GLY 56 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1spk s TRP 57 N -1.37 2.88 0.02 1.61 0.52 -0.82 -3.81 118.94 117.98 1spk s TRP 57 Ca 0.00 -0.26 -0.04 0.00 0.02 0.00 0.00 56.10 55.82 1spk s TRP 57 Cb 0.00 -1.79 -0.01 0.00 -1.15 0.00 0.00 33.47 30.52 1spk s TRP 57 CO 0.00 0.07 0.05 -0.59 0.02 0.00 0.00 176.95 176.51 1spk s PHE 58 N -0.21 0.19 -0.13 -1.98 -0.12 -0.78 -2.87 117.98 112.08 1spk s PHE 58 Ca 0.02 -0.42 -0.29 0.00 -0.05 0.00 0.00 56.93 56.18 1spk s PHE 58 Cb -0.13 -0.14 -0.02 0.00 -0.63 0.00 0.00 43.02 42.09 1spk s PHE 58 CO 0.03 -0.27 1.25 -1.25 -0.05 0.00 0.00 175.22 174.93 1spk s PRO 59 N -1.83 4.27 0.62 1.99 0.04 -1.26 0.12 135.00 138.95 1spk s PRO 59 Ca -0.12 1.68 0.26 0.00 0.04 0.00 0.00 61.00 62.86 1spk s PRO 59 Cb -0.06 -3.70 1.28 0.00 0.04 0.00 0.00 34.50 32.06 1spk s PRO 59 CO -0.01 -0.63 1.72 0.66 0.04 0.00 0.00 177.00 178.77 1spk h SER 60 N 7.99 0.00 0.34 6.66 4.64 -1.24 1.53 113.55 133.47 1spk h SER 60 Ca -0.29 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.90 1spk h SER 60 Cb 1.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1spk h SER 60 CO 0.94 0.00 -0.51 0.28 -0.87 0.00 0.00 176.83 176.67 1spk h SER 61 N 0.00 0.22 -0.16 4.97 0.02 -1.90 -2.34 113.55 114.35 1spk h SER 61 Ca 0.18 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1spk h SER 61 Cb 1.41 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.89 1spk h SER 61 CO -0.00 0.70 0.00 -1.22 -1.14 0.00 0.00 176.83 175.16 1spk n TYR 62 N -3.94 0.25 -3.88 3.45 4.02 0.52 -4.81 117.16 112.78 1spk n TYR 62 Ca -0.02 -0.12 -0.11 0.00 -0.01 0.00 0.00 57.90 57.65 1spk n TYR 62 Cb 0.55 -0.02 -0.09 0.00 -0.02 0.00 0.00 39.34 39.76 1spk n TYR 62 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1spk s THR 63 N -1.74 0.10 0.13 -0.72 -4.23 -0.88 -2.60 115.64 105.69 1spk s THR 63 Ca 0.11 -0.83 0.04 0.00 -1.18 0.00 0.00 61.69 59.83 1spk s THR 63 Cb 0.06 -0.65 -0.04 0.00 1.34 0.00 0.00 72.50 73.21 1spk s THR 63 CO 0.07 -0.46 -0.10 -0.54 -0.54 0.00 0.00 174.62 173.06 1spk s LYS 64 N -1.94 0.97 0.13 3.99 1.02 0.16 -4.84 119.74 119.23 1spk s LYS 64 Ca -0.10 -1.36 -0.30 0.00 0.02 0.00 0.00 55.97 54.23 1spk s LYS 64 Cb -0.05 -0.54 -0.07 0.00 -0.52 0.00 0.00 37.83 36.66 1spk s LYS 64 CO -0.01 0.06 1.13 -0.51 -0.92 0.00 0.00 175.35 175.11 1spk s LEU 65 N -2.96 4.44 1.35 3.17 1.43 -1.26 0.14 118.68 125.00 1spk s LEU 65 Ca 0.13 2.06 -0.19 0.00 -1.03 0.00 0.00 54.13 55.09 1spk s LEU 65 Cb 0.02 -3.59 0.35 0.00 0.03 0.00 0.00 46.19 42.99 1spk s LEU 65 CO -0.00 -0.32 0.95 -0.76 0.23 0.00 0.00 176.35 176.45 1spk s LEU 66 N 0.17 -0.58 -0.36 1.79 1.43 -0.79 -4.79 118.68 115.54 1spk s LEU 66 Ca 0.53 1.12 0.01 0.00 -1.03 0.00 0.00 54.13 54.76 1spk s LEU 66 Cb -0.29 -2.69 0.15 0.00 0.03 0.00 0.00 46.19 43.39 1spk s LEU 66 CO 0.33 -5.09 0.25 -0.44 0.23 0.00 0.00 176.35 171.63 1spk s SER 67 N -2.82 2.54 0.12 2.29 0.01 -1.26 -5.05 113.70 109.53 1spk s SER 67 Ca 0.69 -2.32 -0.25 0.00 1.31 0.00 0.00 55.95 55.38 1spk s SER 67 Cb -0.18 -0.34 0.07 0.00 0.21 0.00 0.00 66.02 65.78 1spk s SER 67 CO 0.61 -0.28 0.63 -0.83 0.41 0.00 0.00 173.24 173.78 1spk s GLY 68 N 0.89 -0.60 -0.03 3.44 0.00 -1.26 -5.14 107.32 104.62 1spk s GLY 68 Ca 0.21 0.66 -0.30 0.00 0.00 0.00 0.00 44.72 45.28 1spk s GLY 68 CO -0.03 0.29 1.21 2.56 0.00 0.00 0.00 173.10 177.13 1spk s PRO 69 N -3.32 4.36 -0.41 2.90 0.04 -1.26 -4.98 135.00 132.34 1spk s PRO 69 Ca -0.01 1.71 0.04 0.00 0.04 0.00 0.00 61.00 62.78 1spk s PRO 69 Cb -0.01 -3.52 0.17 0.00 0.04 0.00 0.00 34.50 31.18 1spk s PRO 69 CO -0.09 -0.42 0.36 0.45 0.04 0.00 0.00 177.00 177.34 1spk s SER 70 N 1.44 1.30 0.00 6.66 0.15 -1.26 -4.96 113.70 117.03 1spk s SER 70 Ca 0.57 -2.79 0.00 0.00 0.70 0.00 0.00 55.95 54.43 1spk s SER 70 Cb -0.26 -0.17 0.00 0.00 -1.71 0.00 0.00 66.02 63.88 1spk s SER 70 CO 0.24 -0.18 0.00 -0.24 1.20 0.00 0.00 173.24 174.26 1spk n SER 71 N 3.04 0.00 0.00 5.45 2.88 -1.26 -5.16 113.62 118.58 1spk n SER 71 Ca 0.26 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1spk n SER 71 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1spk n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42