#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1spk s SER 2 N 0.00 -0.43 -0.14 1.61 1.04 -1.26 -5.04 113.70 109.48 1spk s SER 2 Ca 0.00 0.04 -0.08 0.00 0.48 0.00 0.00 55.95 56.39 1spk s SER 2 Cb 0.00 1.50 0.03 0.00 0.10 0.00 0.00 66.02 67.65 1spk s SER 2 CO 0.00 -0.32 0.16 -1.20 0.98 0.00 0.00 173.24 172.86 1spk n SER 3 N 5.38 -3.15 0.00 7.02 7.64 -1.26 -4.96 113.62 124.30 1spk n SER 3 Ca 0.01 1.22 0.00 0.00 1.01 0.00 0.00 58.87 61.11 1spk n SER 3 Cb 0.51 -4.16 0.00 0.00 -1.01 0.00 0.00 64.21 59.55 1spk n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1spk n GLY 4 N 1.84 1.34 3.09 0.23 0.00 -1.26 -5.06 105.19 105.36 1spk n GLY 4 Ca -0.26 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 1spk n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1spk s SER 5 N 0.00 4.75 -0.39 1.61 0.15 -1.26 -4.99 113.70 113.57 1spk s SER 5 Ca 0.00 -1.66 0.02 0.00 0.70 0.00 0.00 55.95 55.01 1spk s SER 5 Cb 0.00 -1.65 0.12 0.00 -1.71 0.00 0.00 66.02 62.78 1spk s SER 5 CO 0.00 -0.30 0.17 -0.94 1.20 0.00 0.00 173.24 173.37 1spk s SER 6 N 1.17 3.94 0.00 5.45 1.04 -1.26 -4.84 113.70 119.20 1spk s SER 6 Ca -0.00 -2.29 0.00 0.00 0.48 0.00 0.00 55.95 54.14 1spk s SER 6 Cb -0.20 -1.09 0.00 0.00 0.10 0.00 0.00 66.02 64.83 1spk s SER 6 CO -0.05 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.46 1spk n GLY 7 N 4.00 -0.37 3.55 7.32 0.00 -1.26 -5.02 105.19 113.42 1spk n GLY 7 Ca 0.05 0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.74 -4.90 1.61 1.13 -1.26 -4.56 117.38 108.66 1spk n GLN 8 Ca 0.00 -0.16 -0.31 0.00 -1.94 0.00 0.00 57.00 54.59 1spk n GLN 8 Cb 0.00 -2.17 -0.14 0.00 0.11 0.00 0.00 30.24 28.04 1spk n GLN 8 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1spk s LYS 9 N -4.27 2.01 0.12 -1.09 1.02 -1.26 -1.60 119.74 114.67 1spk s LYS 9 Ca 0.64 -1.00 0.06 0.00 0.02 0.00 0.00 55.97 55.69 1spk s LYS 9 Cb -0.22 -2.10 -0.04 0.00 -0.52 0.00 0.00 37.83 34.96 1spk s LYS 9 CO 0.62 0.54 -0.14 0.14 -0.92 0.00 0.00 175.35 175.59 1spk s VAL 10 N -0.80 1.30 -0.08 3.17 -7.23 -0.96 -2.47 120.40 113.33 1spk s VAL 10 Ca 0.12 -1.67 0.05 0.00 -1.81 0.00 0.00 61.98 58.67 1spk s VAL 10 Cb -0.10 -1.48 -0.00 0.00 0.56 0.00 0.00 36.38 35.36 1spk s VAL 10 CO 0.02 -0.40 -0.24 -0.75 -0.31 0.00 0.00 175.10 173.43 1spk s LYS 11 N -2.57 2.79 0.13 4.82 2.20 -0.27 -1.85 119.74 124.99 1spk s LYS 11 Ca 0.08 -0.86 -0.30 0.00 -0.36 0.00 0.00 55.97 54.53 1spk s LYS 11 Cb -0.05 -2.19 -0.07 0.00 -1.51 0.00 0.00 37.83 34.01 1spk s LYS 11 CO 0.03 0.24 1.14 0.95 -0.36 0.00 0.00 175.35 177.35 1spk s THR 12 N 0.19 3.92 -1.50 3.43 -4.23 -1.02 -1.51 115.64 114.92 1spk s THR 12 Ca -0.14 1.54 0.20 0.00 -1.18 0.00 0.00 61.69 62.12 1spk s THR 12 Cb -0.16 -3.99 -0.09 0.00 1.34 0.00 0.00 72.50 69.60 1spk s THR 12 CO 0.07 0.21 0.95 2.30 -0.54 0.00 0.00 174.62 177.61 1spk n ILE 13 N 2.95 0.00 -3.86 2.99 -5.35 -1.19 -0.19 119.36 114.71 1spk n ILE 13 Ca 0.05 -0.18 -0.11 0.00 -0.27 0.00 0.00 62.75 62.24 1spk n ILE 13 Cb 0.46 1.14 -0.11 0.00 -1.74 0.00 0.00 39.64 39.40 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 -2.54 -0.00 0.34 4.28 0.08 -1.26 -4.91 117.98 113.96 1spk s PHE 14 Ca 0.13 -0.01 -0.27 0.00 0.12 0.00 0.00 56.93 56.90 1spk s PHE 14 Cb 0.16 -0.03 -0.09 0.00 -0.57 0.00 0.00 43.02 42.49 1spk s PHE 14 CO 0.64 -0.24 1.07 -1.25 -0.10 0.00 0.00 175.22 175.34 1spk s PRO 15 N -1.03 4.41 -0.29 0.24 0.04 -1.26 -4.19 135.00 132.91 1spk s PRO 15 Ca -0.11 1.64 -0.00 0.00 0.04 0.00 0.00 61.00 62.57 1spk s PRO 15 Cb -0.06 -2.86 0.19 0.00 0.04 0.00 0.00 34.50 31.81 1spk s PRO 15 CO 0.01 0.04 0.74 -1.58 0.04 0.00 0.00 177.00 176.25 1spk s HIS 16 N -1.41 -1.41 -0.07 0.56 2.46 -1.16 -4.97 115.29 109.29 1spk s HIS 16 Ca 0.51 0.89 -0.10 0.00 0.47 0.00 0.00 55.06 56.83 1spk s HIS 16 Cb -0.27 0.27 -0.05 0.00 -0.13 0.00 0.00 32.58 32.40 1spk s HIS 16 CO 0.34 -0.81 0.24 0.99 -2.47 0.00 0.00 174.74 173.02 1spk s THR 17 N 2.87 5.33 -0.10 0.89 2.01 -1.26 -3.01 115.64 122.38 1spk s THR 17 Ca 0.15 0.43 -0.23 0.00 0.31 0.00 0.00 61.69 62.35 1spk s THR 17 Cb -0.08 -3.52 -0.19 0.00 0.01 0.00 0.00 72.50 68.72 1spk s THR 17 CO -0.24 0.59 0.75 0.00 -0.69 0.00 0.00 174.62 175.03 1spk h ALA 18 N 4.84 -0.05 -0.97 7.40 0.00 -1.74 -3.48 119.26 125.26 1spk h ALA 18 Ca -0.54 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1spk h ALA 18 Cb 1.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1spk h ALA 18 CO 0.60 -0.10 0.00 0.41 0.00 0.00 0.00 179.25 180.16 1spk n GLY 19 N 1.23 3.98 0.40 0.00 0.00 -1.26 -2.54 105.19 106.99 1spk n GLY 19 Ca -0.08 0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.62 -2.68 1.61 -1.24 -2.00 -3.39 115.58 106.26 1spk h ASN 20 Ca 0.00 0.28 -0.59 0.00 0.71 0.00 0.00 56.30 56.71 1spk h ASN 20 Cb 0.00 0.76 0.09 0.00 0.73 0.00 0.00 38.32 39.90 1spk h ASN 20 CO 0.00 -0.30 0.56 0.59 -1.29 0.00 0.00 177.43 176.99 1spk n ASN 21 N -5.39 2.60 -0.54 1.15 4.13 -1.05 -4.87 115.26 111.28 1spk n ASN 21 Ca 0.04 1.15 0.06 0.00 1.68 0.00 0.00 54.58 57.51 1spk n ASN 21 Cb 0.35 -1.41 0.09 0.00 -1.54 0.00 0.00 39.78 37.26 1spk n ASN 21 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1spk n LYS 22 N 1.80 1.40 -0.10 3.52 4.76 -1.26 -4.53 118.16 123.76 1spk n LYS 22 Ca 0.11 -1.51 -0.23 0.00 -2.87 0.00 0.00 58.31 53.81 1spk n LYS 22 Cb 0.31 -1.25 -0.12 0.00 -1.84 0.00 0.00 35.03 32.14 1spk n LYS 22 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1spk n THR 23 N 0.64 1.57 -1.99 -0.18 -2.24 -1.26 -4.94 114.28 105.88 1spk n THR 23 Ca 0.09 -0.21 -0.32 0.00 -2.27 0.00 0.00 64.05 61.34 1spk n THR 23 Cb 0.34 -1.94 0.01 0.00 -2.10 0.00 0.00 70.33 66.64 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 -7.63 3.40 0.71 3.22 1.43 -1.26 -1.05 118.68 117.50 1spk s LEU 24 Ca -0.30 1.64 -0.03 0.00 -1.03 0.00 0.00 54.13 54.41 1spk s LEU 24 Cb 0.08 -4.51 0.10 0.00 0.03 0.00 0.00 46.19 41.89 1spk s LEU 24 CO 0.60 -1.04 0.99 -0.22 0.23 0.00 0.00 176.35 176.90 1spk s LEU 25 N -4.75 2.97 -0.11 1.79 1.98 -0.83 -4.42 118.68 115.32 1spk s LEU 25 Ca 0.60 -0.03 -0.01 0.00 -2.89 0.00 0.00 54.13 51.80 1spk s LEU 25 Cb -0.13 -2.47 0.03 0.00 0.66 0.00 0.00 46.19 44.28 1spk s LEU 25 CO 0.43 -1.74 -0.06 -0.94 -1.89 0.00 0.00 176.35 172.14 1spk s SER 26 N -4.64 2.07 0.14 3.68 1.04 -1.26 -2.44 113.70 112.29 1spk s SER 26 Ca 0.64 -0.27 -0.15 0.00 0.48 0.00 0.00 55.95 56.65 1spk s SER 26 Cb -0.07 -0.76 0.03 0.00 0.10 0.00 0.00 66.02 65.31 1spk s SER 26 CO 0.44 -0.14 0.40 0.72 0.98 0.00 0.00 173.24 175.65 1spk s PHE 27 N 1.76 -0.10 0.02 5.02 -0.71 -1.16 -4.95 117.98 117.85 1spk s PHE 27 Ca 0.05 -0.23 0.06 0.00 -1.04 0.00 0.00 56.93 55.77 1spk s PHE 27 Cb -0.13 0.24 -0.03 0.00 -1.21 0.00 0.00 43.02 41.89 1spk s PHE 27 CO -0.08 -0.74 -0.15 0.00 -1.34 0.00 0.00 175.22 172.91 1spk s ALA 28 N -3.84 2.69 -0.38 1.99 0.00 -1.26 -2.98 121.76 117.98 1spk s ALA 28 Ca 0.06 -1.12 -0.44 0.00 0.00 0.00 0.00 51.96 50.45 1spk s ALA 28 Cb 0.02 -0.85 -0.19 0.00 0.00 0.00 0.00 23.12 22.10 1spk s ALA 28 CO -0.09 0.58 1.59 0.94 0.00 0.00 0.00 175.76 178.78 1spk n GLN 29 N 1.67 0.35 0.00 0.00 7.27 -1.26 0.30 117.38 125.72 1spk n GLN 29 Ca -0.16 0.13 0.00 0.00 0.07 0.00 0.00 57.00 57.04 1spk n GLN 29 Cb 0.52 -1.68 0.00 0.00 2.41 0.00 0.00 30.24 31.49 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 3.80 1.92 3.53 1.69 0.00 0.74 -4.99 105.19 111.88 1spk n GLY 30 Ca 0.28 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 0.10 -0.47 -4.39 1.61 9.92 0.15 -4.60 116.55 118.87 1spk n ASP 31 Ca 0.00 0.64 -0.33 0.00 -0.53 0.00 0.00 54.79 54.57 1spk n ASP 31 Cb 0.00 -1.29 -0.14 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 -1.85 2.94 0.01 2.53 1.01 -1.26 -2.43 120.40 121.35 1spk s VAL 32 Ca 0.69 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 62.02 1spk s VAL 32 Cb -0.36 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1spk s VAL 32 CO 0.54 0.55 -0.23 -0.76 0.00 0.00 0.00 175.10 175.20 1spk s LEU 33 N -0.06 2.10 -0.22 3.92 1.43 -0.77 -2.86 118.68 122.21 1spk s LEU 33 Ca -0.03 -0.47 -0.16 0.00 -1.03 0.00 0.00 54.13 52.44 1spk s LEU 33 Cb -0.14 -1.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 1spk s LEU 33 CO 0.04 0.25 0.40 -0.89 0.23 0.00 0.00 176.35 176.38 1spk s THR 34 N -0.65 5.18 0.47 5.49 2.01 0.38 -2.26 115.64 126.26 1spk s THR 34 Ca 0.09 0.69 -0.23 0.00 0.31 0.00 0.00 61.69 62.56 1spk s THR 34 Cb -0.09 -3.73 -0.07 0.00 0.01 0.00 0.00 72.50 68.62 1spk s THR 34 CO 0.00 0.21 1.17 -0.76 -0.69 0.00 0.00 174.62 174.56 1spk s LEU 35 N 1.59 3.99 -0.09 4.42 1.02 -0.63 0.23 118.68 129.21 1spk s LEU 35 Ca 0.18 2.32 -0.04 0.00 0.02 0.00 0.00 54.13 56.61 1spk s LEU 35 Cb -0.15 -4.26 -0.04 0.00 0.02 0.00 0.00 46.19 41.76 1spk s LEU 35 CO 0.08 -0.96 -0.11 0.18 0.02 0.00 0.00 176.35 175.57 1spk n LEU 36 N -0.54 0.92 -4.63 1.79 4.77 -1.03 -4.56 117.00 113.71 1spk n LEU 36 Ca 0.08 0.09 -0.35 0.00 -0.03 0.00 0.00 56.01 55.80 1spk n LEU 36 Cb 0.48 -0.27 -0.10 0.00 -2.33 0.00 0.00 43.42 41.20 1spk n LEU 36 CO 0.48 0.24 -0.31 0.27 -1.33 0.00 0.00 177.39 176.73 1spk s ILE 37 N -2.17 4.25 -0.76 -0.08 -4.36 -1.26 -4.94 121.20 111.90 1spk s ILE 37 Ca -0.12 -0.26 0.24 0.00 -0.26 0.00 0.00 60.65 60.25 1spk s ILE 37 Cb 0.05 -2.82 0.23 0.00 1.25 0.00 0.00 42.46 41.17 1spk s ILE 37 CO 0.16 0.57 1.73 -0.81 0.24 0.00 0.00 174.94 176.83 1spk n PRO 38 N 2.59 0.14 -2.58 0.37 -0.04 -1.26 -4.74 135.00 129.48 1spk n PRO 38 Ca -0.18 0.24 -0.22 0.00 -0.04 0.00 0.00 63.50 63.30 1spk n PRO 38 Cb 0.53 -1.71 0.05 0.00 -0.04 0.00 0.00 33.50 32.33 1spk n PRO 38 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1spk s GLU 39 N -3.13 2.39 -0.01 0.54 2.56 -1.26 -5.11 118.70 114.68 1spk s GLU 39 Ca 0.09 -0.77 0.06 0.00 0.00 0.00 0.00 54.97 54.35 1spk s GLU 39 Cb 0.12 -2.43 -0.02 0.00 2.00 0.00 0.00 34.13 33.81 1spk s GLU 39 CO 0.46 -0.87 -0.19 -1.83 -0.56 0.00 0.00 175.26 172.27 1spk s GLU 40 N -4.87 1.51 -1.44 4.30 1.03 -1.26 -4.66 118.70 113.30 1spk s GLU 40 Ca 0.59 -0.70 -0.13 0.00 0.03 0.00 0.00 54.97 54.76 1spk s GLU 40 Cb -0.10 -1.47 -0.02 0.00 -0.80 0.00 0.00 34.13 31.74 1spk s GLU 40 CO 0.40 0.40 2.44 1.17 -1.33 0.00 0.00 175.26 178.34 1spk n LYS 41 N 2.54 3.00 -3.50 -4.83 4.81 0.53 -4.27 118.16 116.44 1spk n LYS 41 Ca -0.15 -2.37 -0.20 0.00 -0.87 0.00 0.00 58.31 54.71 1spk n LYS 41 Cb 0.53 -3.07 0.08 0.00 0.02 0.00 0.00 35.03 32.60 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 5.31 -4.38 0.00 3.14 9.92 -1.26 -2.82 116.55 126.45 1spk n ASP 42 Ca 0.60 -0.57 0.00 0.00 -0.53 0.00 0.00 54.79 54.29 1spk n ASP 42 Cb 0.33 -5.01 0.00 0.00 -0.64 0.00 0.00 41.12 35.80 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 -1.60 3.32 3.76 0.44 0.00 -1.26 -5.07 105.19 104.79 1spk n GLY 43 Ca -0.12 -0.93 -0.36 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.00 2.54 0.08 1.61 0.52 -1.13 -2.46 118.94 120.10 1spk s TRP 44 Ca 0.00 1.52 0.06 0.00 0.02 0.00 0.00 56.10 57.71 1spk s TRP 44 Cb 0.00 -3.41 -0.03 0.00 -1.15 0.00 0.00 33.47 28.88 1spk s TRP 44 CO 0.00 -1.92 -0.17 -0.51 0.02 0.00 0.00 176.95 174.37 1spk s LEU 45 N -3.84 2.27 -0.08 2.99 1.43 0.37 0.20 118.68 122.02 1spk s LEU 45 Ca 0.74 -0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 53.20 1spk s LEU 45 Cb -0.28 -0.69 -0.03 0.00 0.03 0.00 0.00 46.19 45.22 1spk s LEU 45 CO 0.31 -0.00 -0.01 -0.47 0.23 0.00 0.00 176.35 176.41 1spk s TYR 46 N -1.17 3.13 0.24 0.29 5.04 -1.26 -1.98 117.35 121.64 1spk s TYR 46 Ca 0.02 0.17 -0.09 0.00 -2.44 0.00 0.00 57.07 54.73 1spk s TYR 46 Cb -0.10 -1.78 0.03 0.00 0.35 0.00 0.00 41.96 40.47 1spk s TYR 46 CO 0.03 0.45 0.48 0.41 -1.34 0.00 0.00 175.55 175.57 1spk n GLY 47 N 2.14 1.43 3.31 8.97 0.00 -1.24 -2.47 105.19 117.32 1spk n GLY 47 Ca -0.18 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 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 -2.08 1.80 0.28 1.61 2.12 0.62 -3.32 118.70 119.72 1spk s GLU 48 Ca 0.10 -1.00 -0.20 0.00 0.36 0.00 0.00 54.97 54.23 1spk s GLU 48 Cb -0.03 -1.88 -0.09 0.00 0.26 0.00 0.00 34.13 32.39 1spk s GLU 48 CO 0.08 0.50 0.79 -1.58 -0.54 0.00 0.00 175.26 174.51 1spk s HIS 49 N -0.72 3.59 -0.50 5.30 5.65 -0.96 0.14 115.29 127.79 1spk s HIS 49 Ca 0.10 1.47 -0.03 0.00 0.25 0.00 0.00 55.06 56.85 1spk s HIS 49 Cb -0.10 -2.69 0.19 0.00 -1.18 0.00 0.00 32.58 28.80 1spk s HIS 49 CO 0.01 0.23 2.38 -3.47 -0.65 0.00 0.00 174.74 173.24 1spk n ASP 50 N 0.39 6.78 0.00 9.88 2.03 -1.13 -3.22 116.55 131.29 1spk n ASP 50 Ca 0.00 -3.33 0.00 0.00 0.52 0.00 0.00 54.79 51.98 1spk n ASP 50 Cb 0.51 -1.13 0.00 0.00 -0.72 0.00 0.00 41.12 39.78 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 0.31 0.00 0.26 5.18 -1.04 -1.26 -4.92 114.28 112.82 1spk n THR 51 Ca 0.46 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.62 1spk n THR 51 Cb 0.52 0.00 0.68 0.00 -1.82 0.00 0.00 70.33 69.72 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 0.30 0.00 12.58 1.35 -1.96 -3.45 112.91 121.73 1spk h THR 52 Ca 0.00 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 1spk h THR 52 Cb 0.00 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1spk h THR 52 CO 0.00 0.10 0.00 0.29 -0.25 0.00 0.00 175.52 175.66 1spk n LYS 53 N -3.31 -0.76 -3.75 4.72 4.76 -1.20 -4.99 118.16 113.63 1spk n LYS 53 Ca -0.00 0.19 -0.32 0.00 -2.87 0.00 0.00 58.31 55.30 1spk n LYS 53 Cb 0.30 -3.76 -0.05 0.00 -1.84 0.00 0.00 35.03 29.69 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 -1.62 3.86 -0.09 7.82 0.00 -1.26 -4.79 121.76 125.68 1spk s ALA 54 Ca 0.00 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.35 1spk s ALA 54 Cb 0.00 -2.04 -0.02 0.00 0.00 0.00 0.00 23.12 21.06 1spk s ALA 54 CO 0.00 0.70 -0.14 1.03 0.00 0.00 0.00 175.76 177.35 1spk s ARG 55 N -2.35 2.92 0.00 0.00 3.00 -1.26 -2.26 118.95 119.00 1spk s ARG 55 Ca 0.36 -0.70 0.00 0.00 0.00 0.00 0.00 55.73 55.39 1spk s ARG 55 Cb -0.13 -2.49 0.00 0.00 0.00 0.00 0.00 34.95 32.33 1spk s ARG 55 CO 0.23 0.42 0.00 0.41 0.00 0.00 0.00 175.30 176.36 1spk n GLY 56 N 2.91 4.33 3.45 -3.53 0.00 -1.21 -4.89 105.19 106.25 1spk n GLY 56 Ca -0.18 -1.76 -0.33 0.00 0.00 0.00 0.00 46.02 43.75 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 2.87 0.03 1.61 0.52 -0.21 -3.68 118.94 118.51 1spk s TRP 57 Ca 0.00 -0.38 -0.06 0.00 0.02 0.00 0.00 56.10 55.68 1spk s TRP 57 Cb 0.00 -1.82 -0.01 0.00 -1.15 0.00 0.00 33.47 30.49 1spk s TRP 57 CO 0.00 -0.02 0.11 -0.59 0.02 0.00 0.00 176.95 176.47 1spk s PHE 58 N 0.01 0.17 -0.04 -1.98 -0.12 -0.84 -1.96 117.98 113.23 1spk s PHE 58 Ca -0.02 -0.44 -0.30 0.00 -0.05 0.00 0.00 56.93 56.11 1spk s PHE 58 Cb -0.14 -0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.09 1spk s PHE 58 CO 0.04 -0.36 1.21 -1.25 -0.05 0.00 0.00 175.22 174.80 1spk s PRO 59 N -2.47 4.36 0.65 1.99 0.04 -1.26 0.14 135.00 138.45 1spk s PRO 59 Ca -0.06 1.70 0.27 0.00 0.04 0.00 0.00 61.00 62.95 1spk s PRO 59 Cb -0.02 -3.53 1.45 0.00 0.04 0.00 0.00 34.50 32.44 1spk s PRO 59 CO -0.04 -0.43 1.83 0.66 0.04 0.00 0.00 177.00 179.06 1spk h SER 60 N 7.39 0.00 0.42 6.66 4.64 -1.78 1.05 113.55 131.93 1spk h SER 60 Ca -0.35 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.85 1spk h SER 60 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1spk h SER 60 CO 0.87 0.00 -0.53 0.28 -0.87 0.00 0.00 176.83 176.58 1spk h SER 61 N 0.00 0.13 -0.08 4.97 0.02 -1.90 -2.32 113.55 114.38 1spk h SER 61 Ca 0.05 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1spk h SER 61 Cb 0.92 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.42 1spk h SER 61 CO -0.00 0.64 0.00 -1.22 -1.14 0.00 0.00 176.83 175.11 1spk n TYR 62 N -3.92 0.11 -3.90 3.45 4.02 0.36 -4.80 117.16 112.48 1spk n TYR 62 Ca -0.02 -0.06 -0.10 0.00 -0.01 0.00 0.00 57.90 57.72 1spk n TYR 62 Cb 0.55 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.78 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 -1.89 0.12 0.12 -0.72 -4.23 -0.87 -3.20 115.64 104.97 1spk s THR 63 Ca 0.13 -0.96 0.04 0.00 -1.18 0.00 0.00 61.69 59.72 1spk s THR 63 Cb 0.06 -0.78 -0.04 0.00 1.34 0.00 0.00 72.50 73.09 1spk s THR 63 CO 0.09 -0.53 -0.10 -0.54 -0.54 0.00 0.00 174.62 173.00 1spk s LYS 64 N -2.29 0.95 -0.02 3.99 1.02 -0.57 -4.84 119.74 117.98 1spk s LYS 64 Ca -0.08 -1.29 -0.30 0.00 0.02 0.00 0.00 55.97 54.32 1spk s LYS 64 Cb -0.03 -0.60 -0.03 0.00 -0.52 0.00 0.00 37.83 36.65 1spk s LYS 64 CO -0.03 0.09 1.03 -0.51 -0.92 0.00 0.00 175.35 175.00 1spk s LEU 65 N -2.76 4.34 1.16 3.17 1.43 -1.26 -1.11 118.68 123.64 1spk s LEU 65 Ca 0.11 1.69 -0.13 0.00 -1.03 0.00 0.00 54.13 54.76 1spk s LEU 65 Cb -0.01 -3.57 0.28 0.00 0.03 0.00 0.00 46.19 42.93 1spk s LEU 65 CO 0.00 -0.34 1.03 -0.76 0.23 0.00 0.00 176.35 176.51 1spk s LEU 66 N 1.28 0.79 -0.51 1.79 1.43 -1.03 -4.90 118.68 117.53 1spk s LEU 66 Ca 0.52 1.39 0.03 0.00 -1.03 0.00 0.00 54.13 55.05 1spk s LEU 66 Cb -0.22 -3.30 0.14 0.00 0.03 0.00 0.00 46.19 42.84 1spk s LEU 66 CO 0.26 -4.13 0.29 -0.94 0.23 0.00 0.00 176.35 172.07 1spk s SER 67 N -2.71 3.90 0.00 2.29 1.04 -1.26 -5.05 113.70 111.91 1spk s SER 67 Ca 0.68 -2.97 0.00 0.00 0.48 0.00 0.00 55.95 54.14 1spk s SER 67 Cb -0.24 -1.28 0.00 0.00 0.10 0.00 0.00 66.02 64.60 1spk s SER 67 CO 0.63 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.24 1spk n GLY 68 N 3.11 1.38 3.56 7.32 0.00 -1.26 -4.92 105.19 114.38 1spk n GLY 68 Ca 0.11 -1.61 -0.35 0.00 0.00 0.00 0.00 46.02 44.17 1spk n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1spk s PRO 69 N 2.14 3.06 0.43 1.61 0.04 -1.26 -4.97 135.00 136.06 1spk s PRO 69 Ca 0.00 -0.59 -0.12 0.00 0.04 0.00 0.00 61.00 60.34 1spk s PRO 69 Cb 0.00 -5.08 -0.07 0.00 0.04 0.00 0.00 34.50 29.40 1spk s PRO 69 CO 0.00 -2.73 0.82 -1.54 0.04 0.00 0.00 177.00 173.59 1spk s SER 70 N 6.37 6.53 -0.56 6.66 1.04 -1.26 -5.04 113.70 127.43 1spk s SER 70 Ca 0.57 1.22 -0.08 0.00 0.48 0.00 0.00 55.95 58.14 1spk s SER 70 Cb -0.04 -2.36 0.15 0.00 0.10 0.00 0.00 66.02 63.86 1spk s SER 70 CO -0.02 -0.45 0.43 -0.55 0.98 0.00 0.00 173.24 173.62 1spk s SER 71 N -3.19 5.70 0.00 7.02 0.15 -1.26 -5.29 113.70 116.83 1spk s SER 71 Ca 0.53 -2.31 0.00 0.00 0.70 0.00 0.00 55.95 54.86 1spk s SER 71 Cb -0.10 -1.98 0.00 0.00 -1.71 0.00 0.00 66.02 62.23 1spk s SER 71 CO 0.32 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 174.80