#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 -6.61 -4.58 1.61 2.88 -1.26 -4.90 113.62 100.76 1spk n SER 2 Ca 0.00 0.53 -0.42 0.00 -1.33 0.00 0.00 58.87 57.64 1spk n SER 2 Cb 0.00 -4.39 -0.02 0.00 -0.75 0.00 0.00 64.21 59.05 1spk n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1spk s SER 3 N -2.08 6.44 0.00 -3.46 1.04 -1.26 -4.83 113.70 109.54 1spk s SER 3 Ca 0.16 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.82 1spk s SER 3 Cb -0.05 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1spk s SER 3 CO 0.60 -1.46 0.00 0.61 0.98 0.00 0.00 173.24 173.96 1spk n GLY 4 N 5.05 -1.34 3.69 7.32 0.00 -1.26 -4.93 105.19 113.71 1spk n GLY 4 Ca 0.10 0.94 -0.07 0.00 0.00 0.00 0.00 46.02 46.99 1spk n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1spk s SER 5 N 0.00 -0.31 -0.03 1.61 0.01 -1.26 -5.13 113.70 108.59 1spk s SER 5 Ca 0.00 -0.34 -0.30 0.00 1.31 0.00 0.00 55.95 56.62 1spk s SER 5 Cb 0.00 0.59 -0.06 0.00 0.21 0.00 0.00 66.02 66.76 1spk s SER 5 CO 0.00 -1.04 1.55 -0.44 0.41 0.00 0.00 173.24 173.72 1spk s SER 6 N -2.83 6.73 0.00 2.44 0.01 -1.26 -4.19 113.70 114.60 1spk s SER 6 Ca 0.08 2.19 0.00 0.00 1.31 0.00 0.00 55.95 59.54 1spk s SER 6 Cb -0.03 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1spk s SER 6 CO -0.01 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.40 1spk n GLY 7 N 3.93 0.72 3.11 3.44 0.00 -1.26 -5.01 105.19 110.12 1spk n GLY 7 Ca 0.16 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 -0.59 -4.90 1.61 3.00 -1.26 -3.96 117.38 111.28 1spk n GLN 8 Ca 0.00 -0.17 -0.31 0.00 -0.01 0.00 0.00 57.00 56.52 1spk n GLN 8 Cb 0.00 -1.27 -0.14 0.00 0.00 0.00 0.00 30.24 28.82 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 -2.56 1.98 0.12 -1.09 1.02 -1.26 -0.85 119.74 117.10 1spk s LYS 9 Ca 0.44 -1.01 0.06 0.00 0.02 0.00 0.00 55.97 55.47 1spk s LYS 9 Cb 0.00 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 35.20 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 1.34 -0.07 3.17 -7.23 -0.99 -1.96 120.40 113.85 1spk s VAL 10 Ca 0.12 -1.73 0.04 0.00 -1.81 0.00 0.00 61.98 58.60 1spk s VAL 10 Cb -0.10 -1.54 0.00 0.00 0.56 0.00 0.00 36.38 35.29 1spk s VAL 10 CO 0.02 -0.42 -0.20 -0.75 -0.31 0.00 0.00 175.10 173.44 1spk s LYS 11 N -2.70 2.41 0.01 4.82 2.20 0.23 -2.43 119.74 124.28 1spk s LYS 11 Ca 0.09 -0.73 -0.30 0.00 -0.36 0.00 0.00 55.97 54.67 1spk s LYS 11 Cb -0.05 -1.93 -0.04 0.00 -1.51 0.00 0.00 37.83 34.31 1spk s LYS 11 CO 0.03 0.19 1.05 0.95 -0.36 0.00 0.00 175.35 177.21 1spk s THR 12 N 0.27 4.60 -1.47 3.43 -4.23 -1.13 -0.27 115.64 116.85 1spk s THR 12 Ca -0.12 1.87 0.22 0.00 -1.18 0.00 0.00 61.69 62.47 1spk s THR 12 Cb -0.16 -4.20 -0.12 0.00 1.34 0.00 0.00 72.50 69.36 1spk s THR 12 CO 0.06 0.13 1.00 2.30 -0.54 0.00 0.00 174.62 177.57 1spk n ILE 13 N 3.98 0.00 -3.83 2.99 -5.35 -1.21 -0.79 119.36 115.14 1spk n ILE 13 Ca 0.07 -0.12 -0.12 0.00 -0.27 0.00 0.00 62.75 62.32 1spk n ILE 13 Cb 0.49 1.10 -0.10 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 -2.76 -0.08 0.63 4.28 0.08 -1.26 -4.92 117.98 113.95 1spk s PHE 14 Ca 0.13 0.15 -0.14 0.00 0.12 0.00 0.00 56.93 57.19 1spk s PHE 14 Cb 0.17 0.01 -0.02 0.00 -0.57 0.00 0.00 43.02 42.61 1spk s PHE 14 CO 0.73 -0.24 1.05 -1.25 -0.10 0.00 0.00 175.22 175.42 1spk s PRO 15 N -0.86 3.19 -0.34 0.24 0.04 -1.26 -4.46 135.00 131.55 1spk s PRO 15 Ca -0.09 1.08 0.05 0.00 0.04 0.00 0.00 61.00 62.08 1spk s PRO 15 Cb -0.05 -2.02 0.19 0.00 0.04 0.00 0.00 34.50 32.66 1spk s PRO 15 CO 0.01 -0.90 0.65 -1.58 0.04 0.00 0.00 177.00 175.22 1spk s HIS 16 N -2.73 -1.69 0.19 0.56 2.46 -1.24 -4.98 115.29 107.86 1spk s HIS 16 Ca 0.61 0.65 -0.31 0.00 0.47 0.00 0.00 55.06 56.49 1spk s HIS 16 Cb -0.15 0.30 -0.09 0.00 -0.13 0.00 0.00 32.58 32.51 1spk s HIS 16 CO 0.45 -1.06 1.41 0.99 -2.47 0.00 0.00 174.74 174.06 1spk s THR 17 N 2.38 2.97 -0.00 0.89 2.01 -1.26 -3.74 115.64 118.88 1spk s THR 17 Ca 0.14 0.75 0.00 0.00 0.31 0.00 0.00 61.69 62.89 1spk s THR 17 Cb -0.07 -3.48 0.01 0.00 0.01 0.00 0.00 72.50 68.97 1spk s THR 17 CO -0.17 0.09 0.71 0.00 -0.69 0.00 0.00 174.62 174.56 1spk n ALA 18 N 3.11 1.42 -0.07 7.40 0.00 -1.26 -4.93 120.51 126.18 1spk n ALA 18 Ca 0.09 -0.74 -0.02 0.00 0.00 0.00 0.00 53.44 52.77 1spk n ALA 18 Cb 0.41 -0.19 -0.02 0.00 0.00 0.00 0.00 19.45 19.65 1spk n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1spk n GLY 19 N -0.04 -2.52 0.14 0.00 0.00 -1.26 -2.00 105.19 99.50 1spk n GLY 19 Ca 0.00 0.60 -0.05 0.00 0.00 0.00 0.00 46.02 46.57 1spk n GLY 19 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1spk h ASN 20 N 0.00 -0.36 -1.57 1.61 2.35 -1.96 -3.43 115.58 112.22 1spk h ASN 20 Ca 0.03 0.03 -0.64 0.00 -0.55 0.00 0.00 56.30 55.16 1spk h ASN 20 Cb 0.07 0.11 0.13 0.00 0.05 0.00 0.00 38.32 38.69 1spk h ASN 20 CO -0.16 -0.19 -0.58 0.59 -1.65 0.00 0.00 177.43 175.43 1spk n ASN 21 N -3.10 -1.48 -0.02 5.81 3.02 -0.85 -4.88 115.26 113.76 1spk n ASN 21 Ca -0.04 1.00 0.03 0.00 -0.03 0.00 0.00 54.58 55.54 1spk n ASN 21 Cb 0.13 -0.99 -0.10 0.00 -0.61 0.00 0.00 39.78 38.22 1spk n ASN 21 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1spk n LYS 22 N 1.01 0.89 0.01 3.52 5.02 -1.26 -4.37 118.16 122.98 1spk n LYS 22 Ca 0.14 -0.08 0.12 0.00 -2.02 0.00 0.00 58.31 56.47 1spk n LYS 22 Cb 0.33 -1.30 0.32 0.00 -0.02 0.00 0.00 35.03 34.36 1spk n LYS 22 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1spk n THR 23 N -2.08 0.06 -4.19 -0.18 -2.24 -1.26 -4.84 114.28 99.54 1spk n THR 23 Ca -0.07 -0.04 -0.31 0.00 -2.27 0.00 0.00 64.05 61.35 1spk n THR 23 Cb 0.49 0.02 -0.08 0.00 -2.10 0.00 0.00 70.33 68.66 1spk n THR 23 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1spk s LEU 24 N -3.20 3.53 -0.11 3.22 1.43 -1.26 -1.52 118.68 120.77 1spk s LEU 24 Ca 0.11 -0.07 -0.14 0.00 -1.03 0.00 0.00 54.13 53.00 1spk s LEU 24 Cb 0.17 -2.14 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 1spk s LEU 24 CO 0.67 0.23 0.35 -0.22 0.23 0.00 0.00 176.35 177.60 1spk s LEU 25 N -1.94 4.31 -0.26 1.79 2.96 -1.16 -4.68 118.68 119.70 1spk s LEU 25 Ca 0.23 0.67 -0.11 0.00 -0.22 0.00 0.00 54.13 54.71 1spk s LEU 25 Cb -0.12 -2.47 -0.05 0.00 0.50 0.00 0.00 46.19 44.06 1spk s LEU 25 CO 0.15 0.15 0.17 -0.94 -1.32 0.00 0.00 176.35 174.56 1spk s SER 26 N 0.04 6.02 0.32 3.68 1.04 -1.26 -4.35 113.70 119.20 1spk s SER 26 Ca 0.20 0.04 -0.14 0.00 0.48 0.00 0.00 55.95 56.53 1spk s SER 26 Cb -0.14 -2.10 0.02 0.00 0.10 0.00 0.00 66.02 63.90 1spk s SER 26 CO 0.07 0.01 0.65 0.72 0.98 0.00 0.00 173.24 175.68 1spk s PHE 27 N 1.40 0.26 0.08 5.02 -0.12 -1.25 -4.92 117.98 118.46 1spk s PHE 27 Ca 0.07 -0.74 0.08 0.00 -0.05 0.00 0.00 56.93 56.29 1spk s PHE 27 Cb -0.15 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.72 1spk s PHE 27 CO 0.07 -1.30 -0.16 0.00 -0.05 0.00 0.00 175.22 173.79 1spk s ALA 28 N -3.19 2.73 -0.03 1.99 0.00 -1.26 -3.71 121.76 118.29 1spk s ALA 28 Ca 0.18 -1.26 -0.38 0.00 0.00 0.00 0.00 51.96 50.51 1spk s ALA 28 Cb -0.04 -0.75 -0.16 0.00 0.00 0.00 0.00 23.12 22.17 1spk s ALA 28 CO 0.11 0.60 1.49 0.94 0.00 0.00 0.00 175.76 178.90 1spk n GLN 29 N 1.06 1.20 0.00 0.00 7.27 -1.26 -0.96 117.38 124.69 1spk n GLN 29 Ca -0.15 0.44 0.00 0.00 0.07 0.00 0.00 57.00 57.35 1spk n GLN 29 Cb 0.52 -2.10 0.00 0.00 2.41 0.00 0.00 30.24 31.07 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 3.11 2.03 3.41 1.69 0.00 0.03 -5.00 105.19 110.47 1spk n GLY 30 Ca 0.21 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 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 0.14 -1.71 -4.39 1.61 9.92 -0.13 -4.55 116.55 117.44 1spk n ASP 31 Ca 0.00 0.64 -0.33 0.00 -0.53 0.00 0.00 54.79 54.58 1spk n ASP 31 Cb 0.00 -1.12 -0.14 0.00 -0.64 0.00 0.00 41.12 39.21 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 -1.84 2.92 0.01 2.53 1.01 -1.26 -2.83 120.40 120.94 1spk s VAL 32 Ca 0.64 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.97 1spk s VAL 32 Cb -0.40 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 1spk s VAL 32 CO 0.59 0.55 -0.23 -0.76 0.00 0.00 0.00 175.10 175.25 1spk s LEU 33 N -0.04 2.10 -0.22 3.92 1.02 -1.02 -2.69 118.68 121.75 1spk s LEU 33 Ca -0.04 -0.47 -0.16 0.00 0.02 0.00 0.00 54.13 53.48 1spk s LEU 33 Cb -0.14 -1.15 -0.04 0.00 0.02 0.00 0.00 46.19 44.88 1spk s LEU 33 CO 0.04 0.25 0.41 -0.89 0.02 0.00 0.00 176.35 176.18 1spk s THR 34 N -0.65 5.17 0.53 5.49 2.01 0.11 -2.35 115.64 125.95 1spk s THR 34 Ca 0.09 0.72 -0.20 0.00 0.31 0.00 0.00 61.69 62.61 1spk s THR 34 Cb -0.09 -3.74 -0.07 0.00 0.01 0.00 0.00 72.50 68.61 1spk s THR 34 CO 0.00 0.21 1.10 -0.76 -0.69 0.00 0.00 174.62 174.49 1spk s LEU 35 N 1.58 3.78 0.00 4.42 1.02 -0.03 0.19 118.68 129.64 1spk s LEU 35 Ca 0.19 2.11 0.00 0.00 0.02 0.00 0.00 54.13 56.44 1spk s LEU 35 Cb -0.15 -4.57 0.00 0.00 0.02 0.00 0.00 46.19 41.48 1spk s LEU 35 CO 0.08 -1.09 0.00 0.18 0.02 0.00 0.00 176.35 175.54 1spk n LEU 36 N -1.20 1.00 -4.83 1.79 4.77 -1.25 -4.25 117.00 113.04 1spk n LEU 36 Ca 0.11 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.72 1spk n LEU 36 Cb 0.51 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.54 1spk n LEU 36 CO 0.41 0.16 -0.06 0.27 -1.33 0.00 0.00 177.39 176.85 1spk s ILE 37 N -1.99 5.31 -0.10 -0.08 -4.36 -1.26 -4.82 121.20 113.90 1spk s ILE 37 Ca 0.00 0.47 0.25 0.00 -0.26 0.00 0.00 60.65 61.11 1spk s ILE 37 Cb 0.00 -3.55 0.29 0.00 1.25 0.00 0.00 42.46 40.46 1spk s ILE 37 CO 0.00 0.55 1.75 1.55 0.24 0.00 0.00 174.94 179.03 1spk h PRO 38 N 5.33 0.00 -6.86 0.37 0.13 -1.97 -3.45 132.00 125.55 1spk h PRO 38 Ca -0.50 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.17 1spk h PRO 38 Cb 1.21 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.39 1spk h PRO 38 CO 0.64 0.13 -0.02 -1.83 -0.23 0.00 0.00 178.00 176.68 1spk s GLU 39 N -3.42 2.24 0.12 0.86 1.03 -1.26 -5.12 118.70 113.16 1spk s GLU 39 Ca 0.03 -1.07 0.10 0.00 0.03 0.00 0.00 54.97 54.06 1spk s GLU 39 Cb 0.08 -2.49 -0.04 0.00 -0.80 0.00 0.00 34.13 30.88 1spk s GLU 39 CO 0.64 -0.94 -0.25 -1.83 -1.33 0.00 0.00 175.26 171.55 1spk s GLU 40 N -4.83 1.31 -1.18 -4.83 -1.05 -1.26 -4.74 118.70 102.12 1spk s GLU 40 Ca 0.61 -1.29 -0.09 0.00 -0.15 0.00 0.00 54.97 54.05 1spk s GLU 40 Cb -0.08 -1.74 -0.13 0.00 -0.44 0.00 0.00 34.13 31.75 1spk s GLU 40 CO 0.40 0.41 3.02 1.17 0.95 0.00 0.00 175.26 181.21 1spk n LYS 41 N 0.97 3.14 -3.43 -4.83 4.81 0.51 -4.43 118.16 114.89 1spk n LYS 41 Ca -0.18 -1.84 -0.17 0.00 -0.87 0.00 0.00 58.31 55.25 1spk n LYS 41 Cb 0.53 -2.57 0.09 0.00 0.02 0.00 0.00 35.03 33.10 1spk n LYS 41 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1spk n ASP 42 N 3.38 -2.04 0.00 3.14 9.92 -1.26 -3.03 116.55 126.66 1spk n ASP 42 Ca 0.67 -0.62 0.00 0.00 -0.53 0.00 0.00 54.79 54.31 1spk n ASP 42 Cb 0.38 -5.12 0.00 0.00 -0.64 0.00 0.00 41.12 35.74 1spk n ASP 42 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1spk n GLY 43 N -1.14 3.20 3.83 0.44 0.00 -1.26 -5.07 105.19 105.19 1spk n GLY 43 Ca -0.29 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.13 3.27 0.04 1.61 0.52 -1.17 -1.80 118.94 121.28 1spk s TRP 44 Ca 0.00 1.46 0.02 0.00 0.02 0.00 0.00 56.10 57.60 1spk s TRP 44 Cb 0.00 -2.87 -0.02 0.00 -1.15 0.00 0.00 33.47 29.42 1spk s TRP 44 CO 0.00 -0.78 -0.08 -0.51 0.02 0.00 0.00 176.95 175.60 1spk s LEU 45 N -4.54 2.26 0.39 2.99 1.43 0.21 0.19 118.68 121.60 1spk s LEU 45 Ca 0.60 -0.56 0.08 0.00 -1.03 0.00 0.00 54.13 53.22 1spk s LEU 45 Cb -0.13 -0.17 -0.02 0.00 0.03 0.00 0.00 46.19 45.90 1spk s LEU 45 CO 0.39 -0.20 0.34 -0.47 0.23 0.00 0.00 176.35 176.64 1spk s TYR 46 N -1.41 2.78 -1.92 0.29 5.04 -1.26 -1.98 117.35 118.88 1spk s TYR 46 Ca -0.10 -0.42 0.00 0.00 -2.44 0.00 0.00 57.07 54.11 1spk s TYR 46 Cb -0.10 -2.03 0.00 0.00 0.35 0.00 0.00 41.96 40.18 1spk s TYR 46 CO 0.00 -0.00 0.00 0.41 -1.34 0.00 0.00 175.55 174.62 1spk n GLY 47 N -1.48 -1.63 3.44 8.97 0.00 -1.25 -3.79 105.19 109.45 1spk n GLY 47 Ca 0.02 -1.08 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.58 2.52 0.36 1.61 2.12 0.52 -3.31 118.70 120.94 1spk s GLU 48 Ca 0.00 -0.74 -0.25 0.00 0.36 0.00 0.00 54.97 54.34 1spk s GLU 48 Cb 0.00 -2.34 -0.09 0.00 0.26 0.00 0.00 34.13 31.96 1spk s GLU 48 CO 0.00 0.57 1.03 -1.58 -0.54 0.00 0.00 175.26 174.75 1spk s HIS 49 N -0.61 3.41 -0.40 5.30 5.65 -0.35 0.08 115.29 128.37 1spk s HIS 49 Ca 0.09 1.68 -0.02 0.00 0.25 0.00 0.00 55.06 57.06 1spk s HIS 49 Cb -0.11 -3.11 0.16 0.00 -1.18 0.00 0.00 32.58 28.34 1spk s HIS 49 CO 0.01 -0.43 2.35 -3.47 -0.65 0.00 0.00 174.74 172.55 1spk n ASP 50 N 0.28 6.54 0.00 9.88 -0.08 -1.09 -3.42 116.55 128.66 1spk n ASP 50 Ca 0.03 -3.17 0.00 0.00 -1.51 0.00 0.00 54.79 50.14 1spk n ASP 50 Cb 0.49 -1.13 0.00 0.00 2.34 0.00 0.00 41.12 42.82 1spk n ASP 50 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1spk n THR 51 N 0.51 0.00 0.18 5.18 -1.04 -1.26 -4.92 114.28 112.93 1spk n THR 51 Ca 0.40 0.00 0.18 0.00 -2.04 0.00 0.00 64.05 62.59 1spk n THR 51 Cb 0.57 0.00 0.81 0.00 -1.82 0.00 0.00 70.33 69.89 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 0.41 0.00 12.58 1.35 -1.96 -3.44 112.91 121.85 1spk h THR 52 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1spk h THR 52 Cb 0.00 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 67.20 1spk h THR 52 CO 0.00 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.56 1spk n LYS 53 N -3.72 -0.06 -3.66 4.72 4.01 -1.22 -4.99 118.16 113.24 1spk n LYS 53 Ca 0.03 0.01 -0.23 0.00 -0.51 0.00 0.00 58.31 57.62 1spk n LYS 53 Cb 0.41 -2.92 -0.02 0.00 -0.51 0.00 0.00 35.03 32.00 1spk n LYS 53 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1spk s ALA 54 N -3.21 3.81 -0.06 7.82 0.00 -1.26 -4.76 121.76 124.10 1spk s ALA 54 Ca 0.00 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 50.95 1spk s ALA 54 Cb 0.00 -1.93 -0.02 0.00 0.00 0.00 0.00 23.12 21.17 1spk s ALA 54 CO 0.00 0.11 -0.21 1.03 0.00 0.00 0.00 175.76 176.70 1spk s ARG 55 N -4.13 2.55 0.00 0.00 0.52 -1.26 -1.21 118.95 115.41 1spk s ARG 55 Ca 0.37 -0.82 0.00 0.00 -0.52 0.00 0.00 55.73 54.76 1spk s ARG 55 Cb -0.09 -2.26 0.00 0.00 0.52 0.00 0.00 34.95 33.12 1spk s ARG 55 CO 0.33 0.47 0.00 0.41 0.02 0.00 0.00 175.30 176.52 1spk n GLY 56 N 2.73 4.23 3.48 -3.53 0.00 -1.21 -4.96 105.19 105.94 1spk n GLY 56 Ca -0.17 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.57 2.88 0.02 1.61 0.52 -0.57 -3.80 118.94 118.03 1spk s TRP 57 Ca 0.00 -0.28 -0.04 0.00 0.02 0.00 0.00 56.10 55.80 1spk s TRP 57 Cb 0.00 -1.80 -0.01 0.00 -1.15 0.00 0.00 33.47 30.51 1spk s TRP 57 CO 0.00 0.06 0.07 -0.59 0.02 0.00 0.00 176.95 176.51 1spk s PHE 58 N -0.18 0.17 -0.11 -1.98 -0.12 -0.84 -2.98 117.98 111.95 1spk s PHE 58 Ca 0.01 -0.40 -0.30 0.00 -0.05 0.00 0.00 56.93 56.20 1spk s PHE 58 Cb -0.13 -0.13 -0.02 0.00 -0.63 0.00 0.00 43.02 42.10 1spk s PHE 58 CO 0.03 -0.28 1.25 -1.25 -0.05 0.00 0.00 175.22 174.91 1spk s PRO 59 N -1.84 4.29 0.62 1.99 0.04 -1.26 0.64 135.00 139.46 1spk s PRO 59 Ca -0.12 1.69 0.27 0.00 0.04 0.00 0.00 61.00 62.87 1spk s PRO 59 Cb -0.06 -3.67 1.31 0.00 0.04 0.00 0.00 34.50 32.12 1spk s PRO 59 CO -0.01 -0.59 1.74 0.66 0.04 0.00 0.00 177.00 178.84 1spk h SER 60 N 7.87 0.00 0.42 6.66 4.64 -1.63 1.52 113.55 133.03 1spk h SER 60 Ca -0.30 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.90 1spk h SER 60 Cb 1.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 1spk h SER 60 CO 0.93 0.00 -0.52 0.28 -0.87 0.00 0.00 176.83 176.65 1spk h SER 61 N 0.00 0.13 -0.21 4.97 0.02 -1.90 -2.32 113.55 114.25 1spk h SER 61 Ca 0.19 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1spk h SER 61 Cb 1.41 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.91 1spk h SER 61 CO -0.00 0.62 0.00 -1.22 -1.14 0.00 0.00 176.83 175.09 1spk n TYR 62 N -3.93 0.31 -3.88 3.45 4.02 0.52 -4.82 117.16 112.84 1spk n TYR 62 Ca -0.02 -0.15 -0.11 0.00 -0.01 0.00 0.00 57.90 57.62 1spk n TYR 62 Cb 0.54 -0.02 -0.09 0.00 -0.02 0.00 0.00 39.34 39.75 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 -1.70 0.10 0.14 -0.72 -4.23 -0.87 -3.34 115.64 105.02 1spk s THR 63 Ca 0.14 -0.85 0.04 0.00 -1.18 0.00 0.00 61.69 59.84 1spk s THR 63 Cb 0.08 -0.69 -0.04 0.00 1.34 0.00 0.00 72.50 73.19 1spk s THR 63 CO 0.09 -0.47 -0.09 -1.59 -0.54 0.00 0.00 174.62 172.02 1spk s LYS 64 N -2.02 1.01 0.11 3.99 -2.85 0.63 -4.83 119.74 115.78 1spk s LYS 64 Ca -0.10 -1.43 -0.30 0.00 -1.00 0.00 0.00 55.97 53.14 1spk s LYS 64 Cb -0.04 -0.52 -0.06 0.00 -2.06 0.00 0.00 37.83 35.15 1spk s LYS 64 CO -0.01 0.05 1.09 -0.51 0.10 0.00 0.00 175.35 176.06 1spk s LEU 65 N -3.14 4.44 1.30 2.77 1.43 -1.26 0.75 118.68 124.96 1spk s LEU 65 Ca 0.16 1.96 -0.18 0.00 -1.03 0.00 0.00 54.13 55.04 1spk s LEU 65 Cb 0.03 -3.59 0.32 0.00 0.03 0.00 0.00 46.19 42.98 1spk s LEU 65 CO -0.00 -0.28 0.86 0.18 0.23 0.00 0.00 176.35 177.33 1spk n LEU 66 N 3.12 -1.33 -3.61 1.79 4.77 -0.83 -4.80 117.00 116.11 1spk n LEU 66 Ca 0.05 -0.47 -0.28 0.00 -0.03 0.00 0.00 56.01 55.28 1spk n LEU 66 Cb 0.47 -1.11 -0.11 0.00 -2.33 0.00 0.00 43.42 40.34 1spk n LEU 66 CO 0.54 -3.85 -0.21 -0.44 -1.33 0.00 0.00 177.39 172.09 1spk s SER 67 N -2.59 2.97 0.62 -1.43 0.01 -1.26 -5.05 113.70 106.96 1spk s SER 67 Ca 0.66 -3.21 -0.04 0.00 1.31 0.00 0.00 55.95 54.67 1spk s SER 67 Cb -0.19 -0.92 0.04 0.00 0.21 0.00 0.00 66.02 65.15 1spk s SER 67 CO 0.61 -0.16 0.91 -0.83 0.41 0.00 0.00 173.24 174.18 1spk s GLY 68 N -0.34 1.68 -1.21 3.44 0.00 -1.26 -4.96 107.32 104.67 1spk s GLY 68 Ca 0.27 -0.95 -0.21 0.00 0.00 0.00 0.00 44.72 43.83 1spk s GLY 68 CO -0.15 -0.62 1.82 2.56 0.00 0.00 0.00 173.10 176.71 1spk s PRO 69 N -5.03 3.23 0.19 2.90 0.04 -1.26 -4.94 135.00 130.13 1spk s PRO 69 Ca 0.57 -1.49 -0.31 0.00 0.04 0.00 0.00 61.00 59.81 1spk s PRO 69 Cb -0.11 -5.37 -0.16 0.00 0.04 0.00 0.00 34.50 28.90 1spk s PRO 69 CO 0.43 -3.08 0.98 0.43 0.04 0.00 0.00 177.00 175.80 1spk n SER 70 N 11.37 0.61 -3.11 6.66 7.64 -1.26 -3.34 113.62 132.19 1spk n SER 70 Ca 0.46 1.15 -0.03 0.00 1.01 0.00 0.00 58.87 61.45 1spk n SER 70 Cb 0.47 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 1spk n SER 70 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1spk n SER 71 N 1.79 -6.84 0.00 6.43 2.88 -1.26 -5.20 113.62 111.41 1spk n SER 71 Ca 0.15 0.59 0.00 0.00 -1.33 0.00 0.00 58.87 58.28 1spk n SER 71 Cb 0.24 -2.50 0.00 0.00 -0.75 0.00 0.00 64.21 61.21 1spk n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42