#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 0.26 0.88 1.61 0.01 -1.26 -5.15 113.70 110.05 1spk s SER 2 Ca 0.00 0.48 -0.13 0.00 1.31 0.00 0.00 55.95 57.61 1spk s SER 2 Cb 0.00 1.01 0.05 0.00 0.21 0.00 0.00 66.02 67.29 1spk s SER 2 CO 0.00 -0.27 0.72 -0.24 0.41 0.00 0.00 173.24 173.86 1spk n SER 3 N 5.36 -0.88 -0.02 2.44 2.88 -1.26 -4.79 113.62 117.35 1spk n SER 3 Ca -0.06 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 1spk n SER 3 Cb 0.50 -1.32 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 1spk n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1spk n GLY 4 N 1.12 -2.81 3.44 0.46 0.00 -1.26 -4.82 105.19 101.32 1spk n GLY 4 Ca 0.10 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 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 -3.00 6.20 -0.29 1.61 0.15 -1.26 -4.94 113.70 112.16 1spk s SER 5 Ca 0.00 -1.03 0.02 0.00 0.70 0.00 0.00 55.95 55.64 1spk s SER 5 Cb 0.00 -2.38 0.16 0.00 -1.71 0.00 0.00 66.02 62.09 1spk s SER 5 CO 0.00 -1.30 0.40 -0.55 1.20 0.00 0.00 173.24 172.99 1spk s SER 6 N 3.50 0.55 -0.48 5.45 0.15 -1.26 -4.92 113.70 116.70 1spk s SER 6 Ca 0.20 -0.47 -0.01 0.00 0.70 0.00 0.00 55.95 56.37 1spk s SER 6 Cb -0.18 1.02 0.00 0.00 -1.71 0.00 0.00 66.02 65.15 1spk s SER 6 CO 0.10 -0.36 0.41 0.61 1.20 0.00 0.00 173.24 175.20 1spk n GLY 7 N 5.31 0.19 3.27 9.45 0.00 -1.26 -5.00 105.19 117.15 1spk n GLY 7 Ca 0.01 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.23 -1.82 -4.87 1.61 1.13 -1.26 -4.20 117.38 105.74 1spk n GLN 8 Ca -0.08 -0.52 -0.31 0.00 -1.94 0.00 0.00 57.00 54.15 1spk n GLN 8 Cb 0.56 -1.72 -0.14 0.00 0.11 0.00 0.00 30.24 29.05 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 -3.54 1.99 0.12 -1.09 1.02 -1.26 -0.68 119.74 116.31 1spk s LYS 9 Ca 0.56 -1.01 0.06 0.00 0.02 0.00 0.00 55.97 55.60 1spk s LYS 9 Cb -0.12 -2.09 -0.04 0.00 -0.52 0.00 0.00 37.83 35.06 1spk s LYS 9 CO 0.64 0.54 -0.14 0.14 -0.92 0.00 0.00 175.35 175.61 1spk s VAL 10 N -0.82 1.34 -0.04 3.17 -7.23 -0.97 -1.68 120.40 114.18 1spk s VAL 10 Ca 0.12 -1.72 0.06 0.00 -1.81 0.00 0.00 61.98 58.64 1spk s VAL 10 Cb -0.10 -1.54 -0.01 0.00 0.56 0.00 0.00 36.38 35.29 1spk s VAL 10 CO 0.03 -0.41 -0.23 -0.75 -0.31 0.00 0.00 175.10 173.42 1spk s LYS 11 N -2.66 2.18 0.04 4.82 2.20 0.31 -2.31 119.74 124.33 1spk s LYS 11 Ca 0.09 -0.83 -0.29 0.00 -0.36 0.00 0.00 55.97 54.57 1spk s LYS 11 Cb -0.05 -1.94 -0.04 0.00 -1.51 0.00 0.00 37.83 34.28 1spk s LYS 11 CO 0.03 0.41 0.95 0.95 -0.36 0.00 0.00 175.35 177.33 1spk s THR 12 N -0.28 4.72 -1.27 3.43 -4.23 -1.11 0.25 115.64 117.16 1spk s THR 12 Ca 0.01 2.01 0.19 0.00 -1.18 0.00 0.00 61.69 62.73 1spk s THR 12 Cb -0.12 -4.30 -0.12 0.00 1.34 0.00 0.00 72.50 69.30 1spk s THR 12 CO 0.02 0.24 0.88 2.30 -0.54 0.00 0.00 174.62 177.51 1spk n ILE 13 N 3.39 0.00 -3.79 2.99 -5.35 -1.18 -1.12 119.36 114.30 1spk n ILE 13 Ca 0.04 -0.15 -0.13 0.00 -0.27 0.00 0.00 62.75 62.24 1spk n ILE 13 Cb 0.50 1.10 -0.09 0.00 -1.74 0.00 0.00 39.64 39.41 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 -2.55 -0.14 0.53 4.28 0.08 -1.26 -4.93 117.98 113.99 1spk s PHE 14 Ca 0.11 0.24 -0.18 0.00 0.12 0.00 0.00 56.93 57.22 1spk s PHE 14 Cb 0.15 0.06 -0.07 0.00 -0.57 0.00 0.00 43.02 42.60 1spk s PHE 14 CO 0.66 -0.33 1.04 -1.25 -0.10 0.00 0.00 175.22 175.24 1spk s PRO 15 N -1.12 3.62 -0.17 0.24 0.04 -1.26 -4.37 135.00 131.98 1spk s PRO 15 Ca -0.12 1.28 -0.12 0.00 0.04 0.00 0.00 61.00 62.08 1spk s PRO 15 Cb -0.05 -2.07 0.05 0.00 0.04 0.00 0.00 34.50 32.47 1spk s PRO 15 CO 0.03 -0.57 0.42 -1.58 0.04 0.00 0.00 177.00 175.34 1spk s HIS 16 N -2.21 -0.55 0.01 0.56 2.46 -1.25 -4.96 115.29 109.34 1spk s HIS 16 Ca 0.65 1.24 0.08 0.00 0.47 0.00 0.00 55.06 57.49 1spk s HIS 16 Cb -0.16 0.23 -0.02 0.00 -0.13 0.00 0.00 32.58 32.50 1spk s HIS 16 CO 0.27 -0.30 -0.23 0.99 -2.47 0.00 0.00 174.74 173.01 1spk s THR 17 N 0.92 1.84 -0.05 0.89 2.01 -1.26 -3.15 115.64 116.84 1spk s THR 17 Ca -0.06 -1.10 -0.08 0.00 0.31 0.00 0.00 61.69 60.76 1spk s THR 17 Cb -0.06 -1.55 -0.05 0.00 0.01 0.00 0.00 72.50 70.85 1spk s THR 17 CO -0.07 0.42 0.38 0.00 -0.69 0.00 0.00 174.62 174.66 1spk h ALA 18 N 5.29 -0.34 -0.42 7.40 0.00 -1.85 -3.48 119.26 125.87 1spk h ALA 18 Ca -0.42 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1spk h ALA 18 Cb 1.14 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1spk h ALA 18 CO 0.46 -0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.81 1spk n GLY 19 N 0.94 1.48 0.06 0.00 0.00 -1.26 -2.88 105.19 103.52 1spk n GLY 19 Ca -0.04 0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 -2.39 1.61 -1.24 -2.02 -3.45 115.58 108.09 1spk h ASN 20 Ca 0.00 -0.52 -0.54 0.00 0.71 0.00 0.00 56.30 55.95 1spk h ASN 20 Cb 0.00 -0.00 0.23 0.00 0.73 0.00 0.00 38.32 39.28 1spk h ASN 20 CO 0.00 0.52 -1.51 0.59 -1.29 0.00 0.00 177.43 175.74 1spk n ASN 21 N -4.84 -4.88 -2.76 1.15 3.02 -1.14 -4.93 115.26 100.88 1spk n ASN 21 Ca -0.09 0.22 -0.18 0.00 -0.03 0.00 0.00 54.58 54.51 1spk n ASN 21 Cb 0.26 -0.89 0.00 0.00 -0.61 0.00 0.00 39.78 38.55 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 1.28 1.95 0.00 3.52 4.76 -1.26 -4.80 118.16 123.62 1spk n LYS 22 Ca 0.00 -3.80 0.00 0.00 -2.87 0.00 0.00 58.31 51.64 1spk n LYS 22 Cb 0.56 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 1spk n LYS 22 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1spk n THR 23 N -0.12 0.00 -1.45 -0.18 5.66 -1.26 -5.10 114.28 111.83 1spk n THR 23 Ca 0.23 0.00 -0.58 0.00 -3.05 0.00 0.00 64.05 60.64 1spk n THR 23 Cb 0.69 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.37 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 -1.81 1.43 -4.68 1.09 4.77 -1.26 -2.74 117.00 113.80 1spk n LEU 24 Ca 0.00 0.75 -0.42 0.00 -0.03 0.00 0.00 56.01 56.31 1spk n LEU 24 Cb 0.00 -1.03 -0.03 0.00 -2.33 0.00 0.00 43.42 40.03 1spk n LEU 24 CO 0.00 -0.72 1.52 -0.22 -1.33 0.00 0.00 177.39 176.64 1spk s LEU 25 N 5.50 4.41 -0.18 2.23 2.96 -1.02 -4.21 118.68 128.38 1spk s LEU 25 Ca 1.12 2.72 -0.19 0.00 -0.22 0.00 0.00 54.13 57.55 1spk s LEU 25 Cb -1.27 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 41.84 1spk s LEU 25 CO 0.64 -1.02 0.54 -0.94 -1.32 0.00 0.00 176.35 174.25 1spk s SER 26 N 3.34 6.63 0.23 3.68 1.04 -1.26 -4.72 113.70 122.65 1spk s SER 26 Ca 0.83 0.76 -0.09 0.00 0.48 0.00 0.00 55.95 57.94 1spk s SER 26 Cb -0.45 -2.31 0.03 0.00 0.10 0.00 0.00 66.02 63.40 1spk s SER 26 CO 0.38 -0.15 0.46 2.22 0.98 0.00 0.00 173.24 177.13 1spk n PHE 27 N 4.54 -1.80 -4.71 5.02 1.16 -1.19 -5.03 117.46 115.45 1spk n PHE 27 Ca -0.04 -1.09 -0.26 0.00 -1.87 0.00 0.00 57.45 54.18 1spk n PHE 27 Cb 0.51 0.54 -0.14 0.00 -1.61 0.00 0.00 39.48 38.78 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 -1.64 1.81 0.18 1.98 0.00 -1.26 -3.84 121.76 118.99 1spk s ALA 28 Ca 0.09 -1.07 -0.32 0.00 0.00 0.00 0.00 51.96 50.67 1spk s ALA 28 Cb -0.03 -0.37 -0.16 0.00 0.00 0.00 0.00 23.12 22.56 1spk s ALA 28 CO 0.07 0.41 0.92 0.94 0.00 0.00 0.00 175.76 178.10 1spk n GLN 29 N 1.91 0.64 0.00 0.00 7.27 -1.26 -1.31 117.38 124.63 1spk n GLN 29 Ca -0.17 0.23 0.00 0.00 0.07 0.00 0.00 57.00 57.13 1spk n GLN 29 Cb 0.53 -1.54 0.00 0.00 2.41 0.00 0.00 30.24 31.64 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 1.79 2.92 3.45 1.69 0.00 -0.27 -4.99 105.19 109.78 1spk n GLY 30 Ca 0.16 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 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 0.57 -1.18 -4.46 1.61 9.92 -0.43 -4.48 116.55 118.10 1spk n ASP 31 Ca 0.00 0.77 -0.33 0.00 -0.53 0.00 0.00 54.79 54.70 1spk n ASP 31 Cb 0.00 -1.14 -0.13 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 -1.68 3.38 -0.03 2.53 1.01 -1.26 -2.73 120.40 121.61 1spk s VAL 32 Ca 0.66 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 62.14 1spk s VAL 32 Cb -0.49 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 1spk s VAL 32 CO 0.56 0.55 -0.23 -0.76 0.00 0.00 0.00 175.10 175.22 1spk s LEU 33 N -0.09 2.03 -0.20 3.92 1.02 -0.98 -3.18 118.68 121.20 1spk s LEU 33 Ca -0.00 -0.43 -0.20 0.00 0.02 0.00 0.00 54.13 53.51 1spk s LEU 33 Cb -0.14 -1.21 -0.03 0.00 0.02 0.00 0.00 46.19 44.83 1spk s LEU 33 CO 0.03 0.26 0.58 -0.89 0.02 0.00 0.00 176.35 176.35 1spk s THR 34 N -0.38 5.06 0.43 5.49 2.01 0.48 -2.28 115.64 126.45 1spk s THR 34 Ca 0.04 1.07 -0.24 0.00 0.31 0.00 0.00 61.69 62.87 1spk s THR 34 Cb -0.10 -3.89 -0.08 0.00 0.01 0.00 0.00 72.50 68.43 1spk s THR 34 CO 0.01 0.13 1.17 -0.76 -0.69 0.00 0.00 174.62 174.48 1spk s LEU 35 N 1.83 4.10 -0.06 4.42 1.02 0.14 0.20 118.68 130.34 1spk s LEU 35 Ca 0.26 2.33 -0.02 0.00 0.02 0.00 0.00 54.13 56.72 1spk s LEU 35 Cb -0.16 -4.13 -0.03 0.00 0.02 0.00 0.00 46.19 41.89 1spk s LEU 35 CO 0.10 -0.79 -0.07 0.18 0.02 0.00 0.00 176.35 175.79 1spk n LEU 36 N -0.20 1.59 -4.74 1.79 4.77 -1.23 -4.22 117.00 114.77 1spk n LEU 36 Ca 0.06 0.03 -0.36 0.00 -0.03 0.00 0.00 56.01 55.71 1spk n LEU 36 Cb 0.47 -0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 41.29 1spk n LEU 36 CO 0.49 0.34 -0.23 0.27 -1.33 0.00 0.00 177.39 176.93 1spk s ILE 37 N -2.11 4.94 -0.54 -0.08 -4.36 -1.26 -4.79 121.20 113.00 1spk s ILE 37 Ca -0.08 0.00 0.25 0.00 -0.26 0.00 0.00 60.65 60.57 1spk s ILE 37 Cb 0.03 -3.16 0.28 0.00 1.25 0.00 0.00 42.46 40.86 1spk s ILE 37 CO 0.12 0.56 1.76 1.55 0.24 0.00 0.00 174.94 179.16 1spk h PRO 38 N 5.63 0.00 -6.85 0.37 0.13 -1.96 -3.45 132.00 125.87 1spk h PRO 38 Ca -0.48 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.20 1spk h PRO 38 Cb 1.20 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.38 1spk h PRO 38 CO 0.62 0.00 -0.02 -2.00 -0.23 0.00 0.00 178.00 176.36 1spk s GLU 39 N -3.25 2.28 0.01 0.86 2.56 -1.26 -5.12 118.70 114.78 1spk s GLU 39 Ca 0.07 -1.04 0.05 0.00 0.00 0.00 0.00 54.97 54.05 1spk s GLU 39 Cb 0.10 -2.49 -0.02 0.00 2.00 0.00 0.00 34.13 33.73 1spk s GLU 39 CO 0.51 -0.91 -0.17 -1.83 -0.56 0.00 0.00 175.26 172.30 1spk s GLU 40 N -4.82 1.24 -1.40 4.30 -1.05 -1.26 -4.67 118.70 111.04 1spk s GLU 40 Ca 0.60 -0.69 -0.11 0.00 -0.15 0.00 0.00 54.97 54.62 1spk s GLU 40 Cb -0.08 -1.24 -0.06 0.00 -0.44 0.00 0.00 34.13 32.31 1spk s GLU 40 CO 0.40 0.33 2.57 1.17 0.95 0.00 0.00 175.26 180.67 1spk n LYS 41 N 2.33 3.06 -3.27 -4.83 4.81 0.52 -4.36 118.16 116.43 1spk n LYS 41 Ca -0.16 -2.14 -0.15 0.00 -0.87 0.00 0.00 58.31 54.99 1spk n LYS 41 Cb 0.54 -2.86 0.07 0.00 0.02 0.00 0.00 35.03 32.80 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 4.57 -5.91 0.00 3.14 9.92 -1.26 -2.98 116.55 124.03 1spk n ASP 42 Ca 0.64 -0.69 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 1spk n ASP 42 Cb 0.26 -5.19 0.00 0.00 -0.64 0.00 0.00 41.12 35.55 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 -1.21 3.02 3.78 0.44 0.00 -1.26 -5.03 105.19 104.93 1spk n GLY 43 Ca -0.10 -0.83 -0.36 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.38 2.96 0.09 1.61 0.52 -1.16 -1.57 118.94 121.00 1spk s TRP 44 Ca 0.00 1.57 0.07 0.00 0.02 0.00 0.00 56.10 57.75 1spk s TRP 44 Cb 0.00 -3.27 -0.03 0.00 -1.15 0.00 0.00 33.47 29.02 1spk s TRP 44 CO 0.00 -1.22 -0.17 -0.51 0.02 0.00 0.00 176.95 175.06 1spk s LEU 45 N -3.09 2.29 0.25 2.99 1.43 0.34 0.20 118.68 123.09 1spk s LEU 45 Ca 0.64 -0.66 0.07 0.00 -1.03 0.00 0.00 54.13 53.16 1spk s LEU 45 Cb -0.25 -0.69 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 1spk s LEU 45 CO 0.30 -0.01 0.17 -0.47 0.23 0.00 0.00 176.35 176.57 1spk s TYR 46 N -1.25 3.06 -0.03 0.29 5.04 -1.26 -1.98 117.35 121.22 1spk s TYR 46 Ca 0.02 -0.12 -0.15 0.00 -2.44 0.00 0.00 57.07 54.38 1spk s TYR 46 Cb -0.10 -1.38 0.05 0.00 0.35 0.00 0.00 41.96 40.88 1spk s TYR 46 CO 0.03 0.53 0.68 0.41 -1.34 0.00 0.00 175.55 175.87 1spk n GLY 47 N -1.15 0.33 3.47 8.97 0.00 -1.25 -3.49 105.19 112.06 1spk n GLY 47 Ca -0.08 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.00 2.52 0.09 1.61 2.12 0.52 -3.54 118.70 120.02 1spk s GLU 48 Ca 0.16 -0.70 -0.27 0.00 0.36 0.00 0.00 54.97 54.52 1spk s GLU 48 Cb -0.00 -2.38 -0.06 0.00 0.26 0.00 0.00 34.13 31.95 1spk s GLU 48 CO -0.01 0.61 0.84 -1.58 -0.54 0.00 0.00 175.26 174.58 1spk s HIS 49 N -0.70 3.80 -0.30 5.30 5.65 -0.60 -0.38 115.29 128.06 1spk s HIS 49 Ca 0.11 1.62 -0.03 0.00 0.25 0.00 0.00 55.06 57.01 1spk s HIS 49 Cb -0.11 -2.89 0.06 0.00 -1.18 0.00 0.00 32.58 28.45 1spk s HIS 49 CO 0.01 0.30 2.60 -3.47 -0.65 0.00 0.00 174.74 173.52 1spk n ASP 50 N 2.54 6.20 0.00 9.88 2.03 -1.19 -2.88 116.55 133.12 1spk n ASP 50 Ca -0.01 -2.99 0.00 0.00 0.52 0.00 0.00 54.79 52.31 1spk n ASP 50 Cb 0.49 -1.20 0.00 0.00 -0.72 0.00 0.00 41.12 39.70 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 1.00 0.00 0.30 5.18 -1.04 -1.26 -4.91 114.28 113.55 1spk n THR 51 Ca 0.38 0.00 0.17 0.00 -2.04 0.00 0.00 64.05 62.56 1spk n THR 51 Cb 0.61 0.00 0.74 0.00 -1.82 0.00 0.00 70.33 69.87 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 0.00 0.00 12.58 1.35 -1.97 -3.45 112.91 121.42 1spk h THR 52 Ca 0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1spk h THR 52 Cb 0.00 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 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 -2.98 -0.14 -3.69 4.72 4.76 -1.14 -4.99 118.16 114.70 1spk n LYS 53 Ca 0.00 0.04 -0.26 0.00 -2.87 0.00 0.00 58.31 55.22 1spk n LYS 53 Cb 0.26 -3.10 -0.03 0.00 -1.84 0.00 0.00 35.03 30.33 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 -2.84 3.83 -0.06 7.82 0.00 -1.26 -4.74 121.76 124.49 1spk s ALA 54 Ca 0.00 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.11 1spk s ALA 54 Cb 0.00 -1.98 -0.02 0.00 0.00 0.00 0.00 23.12 21.12 1spk s ALA 54 CO 0.00 0.35 -0.17 1.03 0.00 0.00 0.00 175.76 176.97 1spk s ARG 55 N -3.54 2.65 0.00 0.00 0.52 -1.26 -1.55 118.95 115.77 1spk s ARG 55 Ca 0.38 -0.75 0.00 0.00 -0.52 0.00 0.00 55.73 54.84 1spk s ARG 55 Cb -0.11 -2.36 0.00 0.00 0.52 0.00 0.00 34.95 33.01 1spk s ARG 55 CO 0.30 0.49 0.00 0.41 0.02 0.00 0.00 175.30 176.52 1spk n GLY 56 N 2.69 4.53 3.49 -3.53 0.00 -1.23 -4.96 105.19 106.18 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 -1.36 2.89 0.02 1.61 0.52 -1.11 -3.86 118.94 117.65 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 -1.80 -0.01 0.00 -1.15 0.00 0.00 33.47 30.51 1spk s TRP 57 CO 0.00 0.08 0.06 -0.59 0.02 0.00 0.00 176.95 176.52 1spk s PHE 58 N -0.20 0.19 -0.13 -1.98 -0.12 -0.84 -2.43 117.98 112.47 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 42.10 1spk s PHE 58 CO 0.03 -0.28 1.26 -1.25 -0.05 0.00 0.00 175.22 174.93 1spk s PRO 59 N -1.87 4.27 0.62 1.99 0.04 -1.26 0.13 135.00 138.92 1spk s PRO 59 Ca -0.12 1.68 0.26 0.00 0.04 0.00 0.00 61.00 62.87 1spk s PRO 59 Cb -0.06 -3.71 1.29 0.00 0.04 0.00 0.00 34.50 32.06 1spk s PRO 59 CO -0.02 -0.64 1.72 0.66 0.04 0.00 0.00 177.00 178.77 1spk h SER 60 N 8.02 0.00 0.38 6.66 4.64 -1.58 1.50 113.55 133.17 1spk h SER 60 Ca -0.29 0.00 -0.13 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 -0.53 0.77 -0.87 0.00 0.00 176.83 177.14 1spk h SER 61 N 0.00 0.19 -0.15 4.97 4.64 -1.90 -2.36 113.55 118.95 1spk h SER 61 Ca 0.17 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1spk h SER 61 Cb 1.36 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1spk h SER 61 CO -0.00 0.69 0.00 -1.22 -0.87 0.00 0.00 176.83 175.42 1spk n TYR 62 N -3.92 0.19 -3.96 4.77 4.02 0.51 -4.81 117.16 113.96 1spk n TYR 62 Ca -0.02 -0.10 -0.09 0.00 -0.01 0.00 0.00 57.90 57.68 1spk n TYR 62 Cb 0.56 0.00 -0.10 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 -1.81 0.13 0.10 -0.72 -4.23 -0.89 -3.09 115.64 105.13 1spk s THR 63 Ca 0.18 -1.03 0.04 0.00 -1.18 0.00 0.00 61.69 59.69 1spk s THR 63 Cb 0.09 -0.61 -0.04 0.00 1.34 0.00 0.00 72.50 73.28 1spk s THR 63 CO 0.13 -0.57 -0.11 -1.59 -0.54 0.00 0.00 174.62 171.94 1spk s LYS 64 N -2.05 0.87 0.12 3.99 -2.85 0.14 -4.83 119.74 115.13 1spk s LYS 64 Ca -0.10 -1.16 -0.30 0.00 -1.00 0.00 0.00 55.97 53.41 1spk s LYS 64 Cb -0.05 -0.58 -0.07 0.00 -2.06 0.00 0.00 37.83 35.07 1spk s LYS 64 CO -0.03 0.09 1.16 -0.51 0.10 0.00 0.00 175.35 176.17 1spk s LEU 65 N -2.43 4.42 0.00 2.77 1.43 -1.26 0.12 118.68 123.73 1spk s LEU 65 Ca 0.06 2.08 0.00 0.00 -1.03 0.00 0.00 54.13 55.23 1spk s LEU 65 Cb -0.03 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.59 1spk s LEU 65 CO 0.00 -0.37 0.00 0.18 0.23 0.00 0.00 176.35 176.40 1spk n LEU 66 N 3.13 0.00 -3.39 1.79 4.77 -0.68 -4.51 117.00 118.11 1spk n LEU 66 Ca 0.06 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.88 1spk n LEU 66 Cb 0.46 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1spk n LEU 66 CO 0.55 -1.23 0.07 -1.54 -1.33 0.00 0.00 177.39 173.90 1spk n SER 67 N -2.49 -6.40 -1.11 -1.43 3.41 -1.26 -5.02 113.62 99.32 1spk n SER 67 Ca 0.00 -0.62 0.00 0.00 -0.26 0.00 0.00 58.87 57.99 1spk n SER 67 Cb 0.00 -4.21 0.00 0.00 -0.26 0.00 0.00 64.21 59.74 1spk n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1spk n GLY 68 N -1.60 1.29 3.82 5.00 0.00 -1.26 -5.06 105.19 107.37 1spk n GLY 68 Ca -0.09 -1.59 -0.31 0.00 0.00 0.00 0.00 46.02 44.03 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 1.71 2.77 0.16 1.61 0.04 -1.26 -4.82 135.00 135.21 1spk s PRO 69 Ca 0.00 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.93 1spk s PRO 69 Cb 0.00 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1spk s PRO 69 CO 0.00 -1.20 0.00 0.45 0.04 0.00 0.00 177.00 176.29 1spk n SER 70 N -3.19 -6.07 -3.65 6.66 2.88 -1.26 -5.02 113.62 103.97 1spk n SER 70 Ca 0.07 0.78 -0.28 0.00 -1.33 0.00 0.00 58.87 58.10 1spk n SER 70 Cb 0.54 -2.96 -0.16 0.00 -0.75 0.00 0.00 64.21 60.88 1spk n SER 70 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1spk s SER 71 N -0.81 3.36 0.00 -3.46 1.04 -1.26 -5.10 113.70 107.48 1spk s SER 71 Ca 0.00 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.25 1spk s SER 71 Cb 0.00 -0.54 0.00 0.00 0.10 0.00 0.00 66.02 65.58 1spk s SER 71 CO 0.00 -0.39 0.19 0.61 0.98 0.00 0.00 173.24 174.63