#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 3.81 -0.05 1.61 0.15 -1.26 -5.15 113.70 112.82 1spk s SER 2 Ca 0.00 -1.37 0.01 0.00 0.70 0.00 0.00 55.95 55.29 1spk s SER 2 Cb 0.00 -0.39 0.02 0.00 -1.71 0.00 0.00 66.02 63.94 1spk s SER 2 CO 0.00 -0.46 -0.06 -0.55 1.20 0.00 0.00 173.24 173.37 1spk s SER 3 N -3.70 1.11 0.00 5.45 0.15 -1.26 -5.00 113.70 110.45 1spk s SER 3 Ca 0.35 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.83 1spk s SER 3 Cb 0.10 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 1spk s SER 3 CO 0.18 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.20 1spk n GLY 4 N 3.93 0.11 3.65 9.45 0.00 -1.26 -5.16 105.19 115.90 1spk n GLY 4 Ca -0.25 -0.80 -0.02 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.03 -0.47 1.61 0.15 -1.26 -5.12 113.70 108.58 1spk s SER 5 Ca 0.00 0.05 -0.25 0.00 0.70 0.00 0.00 55.95 56.45 1spk s SER 5 Cb 0.00 0.04 0.03 0.00 -1.71 0.00 0.00 66.02 64.38 1spk s SER 5 CO 0.00 -0.02 0.92 -0.44 1.20 0.00 0.00 173.24 174.90 1spk s SER 6 N -0.63 6.48 0.00 5.45 0.01 -1.26 -4.61 113.70 119.14 1spk s SER 6 Ca 0.08 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.40 1spk s SER 6 Cb -0.02 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1spk s SER 6 CO -0.11 -1.07 0.00 0.61 0.41 0.00 0.00 173.24 173.08 1spk n GLY 7 N 4.96 0.00 3.31 3.44 0.00 -1.26 -4.85 105.19 110.78 1spk n GLY 7 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.01 -4.87 1.61 1.13 -1.26 -4.23 117.38 107.74 1spk n GLN 8 Ca 0.00 -0.57 -0.31 0.00 -1.94 0.00 0.00 57.00 54.18 1spk n GLN 8 Cb 0.00 -1.81 -0.14 0.00 0.11 0.00 0.00 30.24 28.40 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 -3.72 2.00 0.13 -1.09 1.02 -1.26 -0.82 119.74 115.99 1spk s LYS 9 Ca 0.59 -1.01 0.06 0.00 0.02 0.00 0.00 55.97 55.63 1spk s LYS 9 Cb -0.15 -2.10 -0.04 0.00 -0.52 0.00 0.00 37.83 35.03 1spk s LYS 9 CO 0.65 0.54 -0.14 0.14 -0.92 0.00 0.00 175.35 175.61 1spk s VAL 10 N -0.82 1.36 -0.08 3.17 -7.23 -0.89 -1.73 120.40 114.18 1spk s VAL 10 Ca 0.13 -1.75 0.05 0.00 -1.81 0.00 0.00 61.98 58.59 1spk s VAL 10 Cb -0.10 -1.57 -0.00 0.00 0.56 0.00 0.00 36.38 35.27 1spk s VAL 10 CO 0.03 -0.42 -0.23 -0.75 -0.31 0.00 0.00 175.10 173.42 1spk s LYS 11 N -2.72 2.75 0.03 4.82 2.20 0.32 -2.12 119.74 125.02 1spk s LYS 11 Ca 0.10 -0.84 -0.30 0.00 -0.36 0.00 0.00 55.97 54.56 1spk s LYS 11 Cb -0.05 -2.16 -0.05 0.00 -1.51 0.00 0.00 37.83 34.06 1spk s LYS 11 CO 0.03 0.23 1.18 0.95 -0.36 0.00 0.00 175.35 177.38 1spk s THR 12 N 0.20 4.17 -0.86 3.43 -4.23 -1.06 -0.38 115.64 116.93 1spk s THR 12 Ca -0.14 1.55 0.22 0.00 -1.18 0.00 0.00 61.69 62.14 1spk s THR 12 Cb -0.16 -3.99 -0.20 0.00 1.34 0.00 0.00 72.50 69.49 1spk s THR 12 CO 0.07 0.09 0.94 2.30 -0.54 0.00 0.00 174.62 177.48 1spk n ILE 13 N 4.07 0.02 -3.87 2.99 -5.35 -1.19 -0.79 119.36 115.24 1spk n ILE 13 Ca 0.09 -0.08 -0.11 0.00 -0.27 0.00 0.00 62.75 62.38 1spk n ILE 13 Cb 0.47 0.70 -0.10 0.00 -1.74 0.00 0.00 39.64 38.97 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 -3.08 0.03 0.38 4.28 0.08 -1.26 -4.91 117.98 113.51 1spk s PHE 14 Ca 0.06 -0.10 -0.25 0.00 0.12 0.00 0.00 56.93 56.77 1spk s PHE 14 Cb 0.16 -0.04 -0.09 0.00 -0.57 0.00 0.00 43.02 42.48 1spk s PHE 14 CO 0.84 -0.27 1.06 -1.25 -0.10 0.00 0.00 175.22 175.50 1spk s PRO 15 N -1.28 4.22 -0.25 0.24 0.04 -1.26 -4.46 135.00 132.26 1spk s PRO 15 Ca -0.14 1.56 -0.02 0.00 0.04 0.00 0.00 61.00 62.44 1spk s PRO 15 Cb -0.07 -2.63 0.13 0.00 0.04 0.00 0.00 34.50 31.97 1spk s PRO 15 CO 0.01 -0.10 0.37 -1.58 0.04 0.00 0.00 177.00 175.74 1spk s HIS 16 N -1.59 -0.79 -0.18 0.56 2.46 -1.22 -4.98 115.29 109.54 1spk s HIS 16 Ca 0.56 0.65 -0.20 0.00 0.47 0.00 0.00 55.06 56.54 1spk s HIS 16 Cb -0.23 -0.06 -0.03 0.00 -0.13 0.00 0.00 32.58 32.12 1spk s HIS 16 CO 0.30 -0.76 0.59 0.99 -2.47 0.00 0.00 174.74 173.38 1spk s THR 17 N 2.52 5.06 -0.22 0.89 2.01 -1.26 -3.24 115.64 121.39 1spk s THR 17 Ca 0.12 1.12 0.02 0.00 0.31 0.00 0.00 61.69 63.26 1spk s THR 17 Cb -0.15 -3.91 -0.20 0.00 0.01 0.00 0.00 72.50 68.25 1spk s THR 17 CO -0.19 0.15 -0.06 0.00 -0.69 0.00 0.00 174.62 173.83 1spk n ALA 18 N 4.80 1.34 -2.78 7.40 0.00 -1.23 -4.98 120.51 125.06 1spk n ALA 18 Ca -0.03 -1.02 -0.09 0.00 0.00 0.00 0.00 53.44 52.30 1spk n ALA 18 Cb 0.50 -0.24 0.04 0.00 0.00 0.00 0.00 19.45 19.75 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 2.14 0.12 5.00 0.00 0.00 -1.26 -3.83 105.19 107.36 1spk n GLY 19 Ca -0.41 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1spk n GLY 19 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1spk n ASN 20 N -1.60 0.00 0.00 1.61 5.15 -1.26 -4.95 115.26 114.20 1spk n ASN 20 Ca -0.10 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.88 1spk n ASN 20 Cb 0.57 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.82 1spk n ASN 20 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1spk n ASN 21 N 3.98 0.00 0.00 1.20 5.15 -1.25 -4.58 115.26 119.76 1spk n ASN 21 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1spk n ASN 21 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1spk n ASN 21 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1spk n LYS 22 N 0.00 0.00 -2.36 1.20 4.01 -1.26 -4.83 118.16 114.92 1spk n LYS 22 Ca 0.00 0.00 -0.30 0.00 -0.51 0.00 0.00 58.31 57.50 1spk n LYS 22 Cb 0.00 -0.43 0.01 0.00 -0.51 0.00 0.00 35.03 34.10 1spk n LYS 22 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1spk n THR 23 N -2.96 2.63 -3.71 -0.18 -2.24 -1.26 -4.83 114.28 101.72 1spk n THR 23 Ca 0.00 -4.80 -0.12 0.00 -2.27 0.00 0.00 64.05 56.86 1spk n THR 23 Cb 0.41 -1.26 -0.10 0.00 -2.10 0.00 0.00 70.33 67.27 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 -3.65 0.09 0.09 3.22 1.43 -1.26 -4.12 118.68 114.48 1spk s LEU 24 Ca 0.49 0.92 0.02 0.00 -1.03 0.00 0.00 54.13 54.53 1spk s LEU 24 Cb 0.41 1.49 -0.04 0.00 0.03 0.00 0.00 46.19 48.08 1spk s LEU 24 CO -0.24 -0.17 0.17 -0.22 0.23 0.00 0.00 176.35 176.12 1spk s LEU 25 N 0.77 4.12 -0.17 1.79 2.96 -0.92 -4.46 118.68 122.77 1spk s LEU 25 Ca -0.04 0.12 -0.00 0.00 -0.22 0.00 0.00 54.13 53.99 1spk s LEU 25 Cb -0.05 -2.74 -0.00 0.00 0.50 0.00 0.00 46.19 43.89 1spk s LEU 25 CO -0.06 0.14 -0.13 -0.94 -1.32 0.00 0.00 176.35 174.04 1spk s SER 26 N -2.65 3.76 0.19 3.68 1.04 -1.26 -3.49 113.70 114.97 1spk s SER 26 Ca 0.33 -0.46 -0.24 0.00 0.48 0.00 0.00 55.95 56.06 1spk s SER 26 Cb -0.12 -1.59 0.05 0.00 0.10 0.00 0.00 66.02 64.46 1spk s SER 26 CO 0.26 0.07 0.80 0.72 0.98 0.00 0.00 173.24 176.06 1spk s PHE 27 N 0.94 -0.25 0.20 5.02 -0.12 -1.20 -4.96 117.98 117.62 1spk s PHE 27 Ca -0.03 -0.08 0.06 0.00 -0.05 0.00 0.00 56.93 56.84 1spk s PHE 27 Cb -0.15 0.64 -0.04 0.00 -0.63 0.00 0.00 43.02 42.84 1spk s PHE 27 CO -0.02 -0.96 0.12 0.00 -0.05 0.00 0.00 175.22 174.32 1spk s ALA 28 N -3.59 3.48 0.26 1.99 0.00 -1.26 -3.41 121.76 119.23 1spk s ALA 28 Ca 0.09 -1.34 -0.30 0.00 0.00 0.00 0.00 51.96 50.40 1spk s ALA 28 Cb -0.03 -1.24 -0.13 0.00 0.00 0.00 0.00 23.12 21.72 1spk s ALA 28 CO 0.00 0.40 1.33 0.94 0.00 0.00 0.00 175.76 178.43 1spk n GLN 29 N -0.64 1.95 0.00 0.00 7.27 -1.26 -1.65 117.38 123.05 1spk n GLN 29 Ca -0.08 0.69 0.00 0.00 0.07 0.00 0.00 57.00 57.68 1spk n GLN 29 Cb 0.56 -2.30 0.00 0.00 2.41 0.00 0.00 30.24 30.92 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 1.73 2.97 3.33 1.69 0.00 0.03 -4.99 105.19 109.95 1spk n GLY 30 Ca 0.10 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 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 0.55 -2.62 -4.39 1.61 9.92 -0.66 -4.47 116.55 116.49 1spk n ASP 31 Ca 0.00 0.59 -0.33 0.00 -0.53 0.00 0.00 54.79 54.52 1spk n ASP 31 Cb 0.00 -1.03 -0.14 0.00 -0.64 0.00 0.00 41.12 39.31 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 -1.92 2.93 -0.02 2.53 1.01 -1.26 -2.55 120.40 121.12 1spk s VAL 32 Ca 0.60 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.92 1spk s VAL 32 Cb -0.39 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 1spk s VAL 32 CO 0.63 0.55 -0.23 -0.76 0.00 0.00 0.00 175.10 175.29 1spk s LEU 33 N -0.07 2.04 -0.22 3.92 1.43 -0.90 -3.01 118.68 121.87 1spk s LEU 33 Ca -0.03 -0.42 -0.16 0.00 -1.03 0.00 0.00 54.13 52.49 1spk s LEU 33 Cb -0.14 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 1spk s LEU 33 CO 0.04 0.28 0.42 -0.89 0.23 0.00 0.00 176.35 176.43 1spk s THR 34 N -0.51 5.17 0.53 5.49 2.01 0.35 -2.10 115.64 126.58 1spk s THR 34 Ca 0.08 0.72 -0.20 0.00 0.31 0.00 0.00 61.69 62.60 1spk s THR 34 Cb -0.09 -3.74 -0.06 0.00 0.01 0.00 0.00 72.50 68.62 1spk s THR 34 CO -0.01 0.21 1.19 -0.76 -0.69 0.00 0.00 174.62 174.56 1spk s LEU 35 N 1.60 3.81 -0.04 4.42 1.02 -0.00 0.20 118.68 129.68 1spk s LEU 35 Ca 0.19 2.34 -0.00 0.00 0.02 0.00 0.00 54.13 56.67 1spk s LEU 35 Cb -0.15 -4.46 -0.02 0.00 0.02 0.00 0.00 46.19 41.58 1spk s LEU 35 CO 0.09 -1.28 -0.04 0.18 0.02 0.00 0.00 176.35 175.32 1spk n LEU 36 N -1.12 2.29 -4.53 1.79 4.77 -1.09 -4.36 117.00 114.75 1spk n LEU 36 Ca 0.11 -0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.75 1spk n LEU 36 Cb 0.49 -0.13 -0.12 0.00 -2.33 0.00 0.00 43.42 41.33 1spk n LEU 36 CO 0.45 0.44 -0.40 0.27 -1.33 0.00 0.00 177.39 176.82 1spk s ILE 37 N -2.08 3.50 -0.75 -0.08 -4.36 -1.26 -4.83 121.20 111.34 1spk s ILE 37 Ca -0.05 -0.55 0.24 0.00 -0.26 0.00 0.00 60.65 60.03 1spk s ILE 37 Cb 0.02 -2.43 0.24 0.00 1.25 0.00 0.00 42.46 41.53 1spk s ILE 37 CO 0.08 0.58 1.73 -0.81 0.24 0.00 0.00 174.94 176.76 1spk n PRO 38 N 2.46 0.14 -2.78 0.37 -0.04 -1.26 -4.74 135.00 129.15 1spk n PRO 38 Ca -0.18 0.25 -0.20 0.00 -0.04 0.00 0.00 63.50 63.33 1spk n PRO 38 Cb 0.53 -1.71 0.04 0.00 -0.04 0.00 0.00 33.50 32.32 1spk n PRO 38 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1spk s GLU 39 N -3.13 2.50 0.07 0.54 8.01 -1.26 -5.13 118.70 120.30 1spk s GLU 39 Ca 0.09 -1.05 0.04 0.00 0.01 0.00 0.00 54.97 54.06 1spk s GLU 39 Cb 0.12 -2.57 -0.03 0.00 -4.31 0.00 0.00 34.13 27.35 1spk s GLU 39 CO 0.46 -0.69 -0.13 -1.83 0.01 0.00 0.00 175.26 173.09 1spk s GLU 40 N -4.68 0.77 -1.50 1.61 1.03 -1.26 -4.62 118.70 110.05 1spk s GLU 40 Ca 0.58 -0.95 -0.12 0.00 0.03 0.00 0.00 54.97 54.51 1spk s GLU 40 Cb -0.09 -0.70 -0.03 0.00 -0.80 0.00 0.00 34.13 32.51 1spk s GLU 40 CO 0.38 0.15 2.57 1.17 -1.33 0.00 0.00 175.26 178.20 1spk n LYS 41 N 1.21 3.20 -2.32 -4.83 0.00 0.53 -4.27 118.16 111.69 1spk n LYS 41 Ca -0.21 -2.34 -0.19 0.00 0.00 0.00 0.00 58.31 55.57 1spk n LYS 41 Cb 0.55 -3.01 -0.01 0.00 0.00 0.00 0.00 35.03 32.55 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 4.85 -5.56 0.00 3.14 9.92 -1.26 -3.00 116.55 124.64 1spk n ASP 42 Ca 0.65 0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.92 1spk n ASP 42 Cb 0.30 -4.61 0.00 0.00 -0.64 0.00 0.00 41.12 36.17 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 -0.99 3.65 3.77 0.44 0.00 -1.26 -5.11 105.19 105.69 1spk n GLY 43 Ca -0.23 -0.67 -0.39 0.00 0.00 0.00 0.00 46.02 44.73 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 2.72 0.12 1.61 0.52 -1.16 -2.64 118.94 120.11 1spk s TRP 44 Ca 0.00 1.39 0.10 0.00 0.02 0.00 0.00 56.10 57.62 1spk s TRP 44 Cb 0.00 -3.69 -0.04 0.00 -1.15 0.00 0.00 33.47 28.59 1spk s TRP 44 CO 0.00 -2.24 -0.25 -0.51 0.02 0.00 0.00 176.95 173.97 1spk s LEU 45 N -2.62 2.32 0.03 2.99 1.43 0.24 0.20 118.68 123.26 1spk s LEU 45 Ca 0.59 -0.73 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 1spk s LEU 45 Cb -0.38 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 1spk s LEU 45 CO 0.49 0.14 0.03 -0.47 0.23 0.00 0.00 176.35 176.77 1spk s TYR 46 N -1.09 3.13 0.21 0.29 5.04 -1.26 -2.09 117.35 121.57 1spk s TYR 46 Ca 0.12 0.09 -0.21 0.00 -2.44 0.00 0.00 57.07 54.63 1spk s TYR 46 Cb -0.10 -1.65 0.07 0.00 0.35 0.00 0.00 41.96 40.63 1spk s TYR 46 CO 0.06 0.49 1.01 0.20 -1.34 0.00 0.00 175.55 175.97 1spk s GLY 47 N -1.86 0.18 0.08 8.97 0.00 -1.24 -2.67 107.32 110.76 1spk s GLY 47 Ca 0.23 -0.43 0.04 0.00 0.00 0.00 0.00 44.72 44.56 1spk s GLY 47 CO 0.14 2.38 0.01 1.85 0.00 0.00 0.00 173.10 177.48 1spk s GLU 48 N -2.09 2.60 0.02 2.90 2.12 0.53 -3.20 118.70 121.58 1spk s GLU 48 Ca 0.22 -0.80 -0.20 0.00 0.36 0.00 0.00 54.97 54.56 1spk s GLU 48 Cb -0.03 -2.57 -0.06 0.00 0.26 0.00 0.00 34.13 31.73 1spk s GLU 48 CO 0.06 0.55 0.57 -1.58 -0.54 0.00 0.00 175.26 174.32 1spk s HIS 49 N -1.29 3.72 -0.31 5.30 5.65 -0.28 -0.50 115.29 127.59 1spk s HIS 49 Ca 0.25 1.19 -0.02 0.00 0.25 0.00 0.00 55.06 56.73 1spk s HIS 49 Cb -0.12 -2.54 0.10 0.00 -1.18 0.00 0.00 32.58 28.84 1spk s HIS 49 CO 0.18 0.45 2.45 -3.47 -0.65 0.00 0.00 174.74 173.69 1spk n ASP 50 N 2.34 6.27 0.00 9.88 -0.08 -1.16 -2.99 116.55 130.81 1spk n ASP 50 Ca -0.09 -3.01 0.00 0.00 -1.51 0.00 0.00 54.79 50.19 1spk n ASP 50 Cb 0.51 -1.16 0.00 0.00 2.34 0.00 0.00 41.12 42.81 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 0.84 0.00 0.30 5.18 -1.04 -1.26 -4.91 114.28 113.39 1spk n THR 51 Ca 0.36 0.00 0.19 0.00 -2.04 0.00 0.00 64.05 62.56 1spk n THR 51 Cb 0.60 0.00 0.92 0.00 -1.82 0.00 0.00 70.33 70.03 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 0.04 0.00 12.58 1.35 -1.95 -3.45 112.91 121.48 1spk h THR 52 Ca 0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1spk h THR 52 Cb 0.00 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 1spk h THR 52 CO 0.00 0.01 0.00 0.29 -0.25 0.00 0.00 175.52 175.57 1spk n LYS 53 N -3.12 -0.04 -3.40 4.72 4.01 -1.16 -4.99 118.16 114.18 1spk n LYS 53 Ca -0.01 0.01 -0.26 0.00 -0.51 0.00 0.00 58.31 57.54 1spk n LYS 53 Cb 0.20 -2.86 -0.02 0.00 -0.51 0.00 0.00 35.03 31.84 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 -3.33 3.69 -0.05 7.82 0.00 -1.26 -4.73 121.76 123.90 1spk s ALA 54 Ca 0.00 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.22 1spk s ALA 54 Cb 0.00 -2.15 -0.01 0.00 0.00 0.00 0.00 23.12 20.96 1spk s ALA 54 CO 0.00 0.10 -0.24 1.03 0.00 0.00 0.00 175.76 176.64 1spk s ARG 55 N -4.00 2.48 0.00 0.00 3.00 -1.26 -1.13 118.95 118.04 1spk s ARG 55 Ca 0.41 -0.90 0.00 0.00 0.00 0.00 0.00 55.73 55.24 1spk s ARG 55 Cb -0.10 -2.16 0.00 0.00 0.00 0.00 0.00 34.95 32.69 1spk s ARG 55 CO 0.34 0.43 0.00 0.41 0.00 0.00 0.00 175.30 176.47 1spk n GLY 56 N 2.82 4.79 3.48 -3.53 0.00 -1.20 -4.96 105.19 106.60 1spk n GLY 56 Ca -0.17 -1.75 -0.33 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.21 2.87 0.02 1.61 0.52 -1.26 -3.69 118.94 117.81 1spk s TRP 57 Ca 0.00 -0.27 -0.04 0.00 0.02 0.00 0.00 56.10 55.81 1spk s TRP 57 Cb 0.00 -1.78 -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 0.00 176.95 176.50 1spk s PHE 58 N -0.22 0.19 -0.14 -1.98 -0.12 -0.89 -2.17 117.98 112.66 1spk s PHE 58 Ca 0.02 -0.43 -0.29 0.00 -0.05 0.00 0.00 56.93 56.17 1spk s PHE 58 Cb -0.13 -0.15 -0.02 0.00 -0.63 0.00 0.00 43.02 42.09 1spk s PHE 58 CO 0.03 -0.27 1.26 -1.25 -0.05 0.00 0.00 175.22 174.94 1spk s PRO 59 N -1.84 4.25 0.62 1.99 0.04 -1.26 0.80 135.00 139.60 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 -3.73 1.31 0.00 0.04 0.00 0.00 34.50 32.06 1spk s PRO 59 CO -0.01 -0.66 1.74 0.66 0.04 0.00 0.00 177.00 178.76 1spk h SER 60 N 8.09 0.00 0.43 6.66 4.64 -1.80 1.51 113.55 133.08 1spk h SER 60 Ca -0.28 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.92 1spk h SER 60 Cb 1.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 1spk h SER 60 CO 0.95 0.00 -0.51 0.28 -0.87 0.00 0.00 176.83 176.68 1spk h SER 61 N 0.00 0.11 -0.23 4.97 0.02 -1.89 -2.30 113.55 114.23 1spk h SER 61 Ca 0.18 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1spk h SER 61 Cb 1.36 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.87 1spk h SER 61 CO -0.00 0.60 0.00 -1.22 -1.14 0.00 0.00 176.83 175.07 1spk n TYR 62 N -3.93 0.35 -3.88 3.45 4.02 0.51 -4.82 117.16 112.86 1spk n TYR 62 Ca -0.02 -0.16 -0.10 0.00 -0.01 0.00 0.00 57.90 57.61 1spk n TYR 62 Cb 0.54 -0.03 -0.09 0.00 -0.02 0.00 0.00 39.34 39.74 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 -1.67 0.10 0.12 -0.72 -4.23 -0.86 -3.19 115.64 105.19 1spk s THR 63 Ca 0.16 -0.86 0.04 0.00 -1.18 0.00 0.00 61.69 59.85 1spk s THR 63 Cb 0.09 -0.71 -0.04 0.00 1.34 0.00 0.00 72.50 73.18 1spk s THR 63 CO 0.10 -0.47 -0.10 -0.54 -0.54 0.00 0.00 174.62 173.06 1spk s LYS 64 N -2.07 0.97 0.14 3.99 1.02 0.49 -4.83 119.74 119.44 1spk s LYS 64 Ca -0.09 -1.31 -0.30 0.00 0.02 0.00 0.00 55.97 54.29 1spk s LYS 64 Cb -0.04 -0.60 -0.07 0.00 -0.52 0.00 0.00 37.83 36.60 1spk s LYS 64 CO -0.02 0.08 1.14 -0.51 -0.92 0.00 0.00 175.35 175.13 1spk s LEU 65 N -2.81 4.44 1.34 3.17 1.43 -1.26 0.12 118.68 125.11 1spk s LEU 65 Ca 0.11 2.07 -0.19 0.00 -1.03 0.00 0.00 54.13 55.10 1spk s LEU 65 Cb -0.00 -3.60 0.34 0.00 0.03 0.00 0.00 46.19 42.96 1spk s LEU 65 CO 0.00 -0.32 0.91 0.18 0.23 0.00 0.00 176.35 177.36 1spk n LEU 66 N 2.89 -1.17 -3.34 1.79 4.77 -0.70 -4.79 117.00 116.44 1spk n LEU 66 Ca 0.05 -0.54 -0.15 0.00 -0.03 0.00 0.00 56.01 55.35 1spk n LEU 66 Cb 0.46 -1.12 -0.07 0.00 -2.33 0.00 0.00 43.42 40.36 1spk n LEU 66 CO 0.54 -3.99 -0.13 -0.44 -1.33 0.00 0.00 177.39 172.05 1spk s SER 67 N -2.70 0.88 0.00 -1.43 0.01 -1.26 -5.05 113.70 104.16 1spk s SER 67 Ca 0.68 -1.36 0.00 0.00 1.31 0.00 0.00 55.95 56.57 1spk s SER 67 Cb -0.19 0.73 0.00 0.00 0.21 0.00 0.00 66.02 66.77 1spk s SER 67 CO 0.61 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.61 1spk n GLY 68 N 4.41 5.14 2.56 3.44 0.00 -1.26 -4.98 105.19 114.50 1spk n GLY 68 Ca 0.09 -1.67 -0.32 0.00 0.00 0.00 0.00 46.02 44.13 1spk n GLY 68 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1spk n PRO 69 N 0.00 2.67 -0.28 1.61 -0.04 -1.26 -4.71 135.00 132.99 1spk n PRO 69 Ca 0.00 -1.85 -0.12 0.00 -0.04 0.00 0.00 63.50 61.49 1spk n PRO 69 Cb 0.00 -2.69 -0.09 0.00 -0.04 0.00 0.00 33.50 30.68 1spk n PRO 69 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1spk h SER 70 N 5.97 -1.99 -3.41 3.54 0.02 -2.00 -3.34 113.55 112.34 1spk h SER 70 Ca 0.63 0.29 -0.58 0.00 -0.84 0.00 0.00 61.79 61.29 1spk h SER 70 Cb 0.29 0.86 -0.39 0.00 0.14 0.00 0.00 62.40 63.29 1spk h SER 70 CO 1.65 -0.31 -0.77 -0.44 -1.14 0.00 0.00 176.83 175.82 1spk s SER 71 N -5.28 3.62 0.00 3.07 0.01 -1.26 -5.20 113.70 108.66 1spk s SER 71 Ca -0.13 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 55.92 1spk s SER 71 Cb 0.10 -0.94 0.00 0.00 0.21 0.00 0.00 66.02 65.40 1spk s SER 71 CO 0.62 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.58