#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 -0.15 -0.51 1.61 0.01 -1.26 -5.09 113.70 108.31 1spk s SER 2 Ca 0.00 0.31 0.07 0.00 1.31 0.00 0.00 55.95 57.64 1spk s SER 2 Cb 0.00 0.29 0.21 0.00 0.21 0.00 0.00 66.02 66.73 1spk s SER 2 CO 0.00 -0.07 0.78 -1.20 0.41 0.00 0.00 173.24 173.15 1spk n SER 3 N 3.27 -3.25 0.00 2.44 7.64 -1.26 -4.98 113.62 117.48 1spk n SER 3 Ca -0.16 -3.04 0.00 0.00 1.01 0.00 0.00 58.87 56.69 1spk n SER 3 Cb 0.57 1.75 0.00 0.00 -1.01 0.00 0.00 64.21 65.53 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 2.53 0.93 0.00 0.23 0.00 -1.26 -4.92 105.19 102.71 1spk n GLY 4 Ca 0.15 -0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.23 1spk n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1spk n SER 5 N 0.00 0.08 -4.52 1.61 2.88 -1.26 -4.67 113.62 107.74 1spk n SER 5 Ca 0.00 0.30 -0.38 0.00 -1.33 0.00 0.00 58.87 57.45 1spk n SER 5 Cb 0.00 -0.37 -0.11 0.00 -0.75 0.00 0.00 64.21 62.98 1spk n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1spk s SER 6 N -2.94 5.78 0.00 -3.46 0.01 -1.26 -4.52 113.70 107.31 1spk s SER 6 Ca 0.16 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.15 1spk s SER 6 Cb 0.19 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 64.36 1spk s SER 6 CO 0.54 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.67 1spk n GLY 7 N 5.03 0.77 3.43 3.44 0.00 -1.26 -4.69 105.19 111.91 1spk n GLY 7 Ca -0.14 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.63 -4.88 1.61 1.13 -1.26 -4.47 117.38 108.87 1spk n GLN 8 Ca 0.00 -0.14 -0.31 0.00 -1.94 0.00 0.00 57.00 54.61 1spk n GLN 8 Cb 0.00 -1.91 -0.14 0.00 0.11 0.00 0.00 30.24 28.30 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 -3.76 2.01 0.12 -1.09 1.02 -1.26 -1.26 119.74 115.52 1spk s LYS 9 Ca 0.58 -1.00 0.06 0.00 0.02 0.00 0.00 55.97 55.63 1spk s LYS 9 Cb -0.20 -2.10 -0.04 0.00 -0.52 0.00 0.00 37.83 34.97 1spk s LYS 9 CO 0.66 0.54 -0.14 0.14 -0.92 0.00 0.00 175.35 175.63 1spk s VAL 10 N -0.81 1.34 -0.06 3.17 -7.23 -0.94 -2.51 120.40 113.35 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 -1.54 -0.00 0.00 0.56 0.00 0.00 36.38 35.30 1spk s VAL 10 CO 0.02 -0.41 -0.21 -0.75 -0.31 0.00 0.00 175.10 173.44 1spk s LYS 11 N -2.67 2.34 0.26 4.82 2.20 0.81 -1.92 119.74 125.58 1spk s LYS 11 Ca 0.09 -0.76 -0.29 0.00 -0.36 0.00 0.00 55.97 54.64 1spk s LYS 11 Cb -0.05 -1.93 -0.09 0.00 -1.51 0.00 0.00 37.83 34.25 1spk s LYS 11 CO 0.03 0.26 1.15 0.95 -0.36 0.00 0.00 175.35 177.38 1spk s THR 12 N 0.09 3.41 -1.70 3.43 -4.23 -1.10 -0.02 115.64 115.52 1spk s THR 12 Ca -0.08 1.36 0.19 0.00 -1.18 0.00 0.00 61.69 61.97 1spk s THR 12 Cb -0.14 -3.86 -0.01 0.00 1.34 0.00 0.00 72.50 69.83 1spk s THR 12 CO 0.04 0.30 0.95 2.30 -0.54 0.00 0.00 174.62 177.67 1spk n ILE 13 N 1.45 0.00 -3.61 2.99 -5.35 -0.97 -2.05 119.36 111.81 1spk n ILE 13 Ca 0.00 -0.30 -0.13 0.00 -0.27 0.00 0.00 62.75 62.05 1spk n ILE 13 Cb 0.44 1.22 -0.06 0.00 -1.74 0.00 0.00 39.64 39.50 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 -2.15 -0.36 0.36 4.28 0.08 -1.26 -4.95 117.98 113.98 1spk s PHE 14 Ca 0.15 0.38 -0.26 0.00 0.12 0.00 0.00 56.93 57.33 1spk s PHE 14 Cb 0.15 0.29 -0.09 0.00 -0.57 0.00 0.00 43.02 42.80 1spk s PHE 14 CO 0.48 -0.61 1.06 -1.25 -0.10 0.00 0.00 175.22 174.80 1spk s PRO 15 N -2.43 4.32 -0.34 0.24 0.04 -1.26 -4.29 135.00 131.27 1spk s PRO 15 Ca -0.05 1.60 0.06 0.00 0.04 0.00 0.00 61.00 62.64 1spk s PRO 15 Cb -0.01 -2.75 0.19 0.00 0.04 0.00 0.00 34.50 31.97 1spk s PRO 15 CO -0.02 -0.02 0.64 -1.58 0.04 0.00 0.00 177.00 176.06 1spk s HIS 16 N -1.49 -1.71 0.49 0.56 2.46 -1.23 -4.97 115.29 109.40 1spk s HIS 16 Ca 0.53 0.68 -0.07 0.00 0.47 0.00 0.00 55.06 56.68 1spk s HIS 16 Cb -0.25 0.30 -0.04 0.00 -0.13 0.00 0.00 32.58 32.46 1spk s HIS 16 CO 0.32 -1.06 0.82 0.99 -2.47 0.00 0.00 174.74 173.34 1spk s THR 17 N 2.41 4.86 -0.13 0.89 2.01 -1.26 -3.52 115.64 120.89 1spk s THR 17 Ca 0.13 0.37 -0.09 0.00 0.31 0.00 0.00 61.69 62.42 1spk s THR 17 Cb -0.07 -3.85 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 1spk s THR 17 CO -0.18 -0.85 -0.18 0.00 -0.69 0.00 0.00 174.62 172.72 1spk n ALA 18 N -2.21 0.44 -0.52 7.40 0.00 -1.26 -4.87 120.51 119.49 1spk n ALA 18 Ca 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1spk n ALA 18 Cb 0.55 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 1.61 1.90 0.17 0.00 0.00 -1.26 -2.45 105.19 105.16 1spk n GLY 19 Ca -0.07 0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 0.58 -0.99 1.61 -1.24 -2.01 -3.19 115.58 110.34 1spk h ASN 20 Ca 0.00 -0.56 0.17 0.00 0.71 0.00 0.00 56.30 56.63 1spk h ASN 20 Cb 0.00 -0.17 -0.17 0.00 0.73 0.00 0.00 38.32 38.71 1spk h ASN 20 CO 0.00 1.03 -0.33 0.59 -1.29 0.00 0.00 177.43 177.43 1spk n ASN 21 N -4.34 -0.52 0.00 1.15 3.02 -1.03 -4.68 115.26 108.87 1spk n ASN 21 Ca -0.06 1.72 0.00 0.00 -0.03 0.00 0.00 54.58 56.21 1spk n ASN 21 Cb 0.50 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 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 -5.53 0.00 -0.18 3.52 4.76 -1.21 -4.45 118.16 115.07 1spk n LYS 22 Ca 0.13 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.53 1spk n LYS 22 Cb 0.44 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.66 1spk n LYS 22 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1spk h THR 23 N 0.00 0.30 -3.90 -0.18 1.35 -1.92 -3.41 112.91 105.15 1spk h THR 23 Ca 0.00 0.00 -0.54 0.00 -0.55 0.00 0.00 66.41 65.32 1spk h THR 23 Cb 0.00 0.30 0.19 0.00 -1.73 0.00 0.00 68.15 66.92 1spk h THR 23 CO 0.00 0.00 0.01 0.18 -0.25 0.00 0.00 175.52 175.46 1spk n LEU 24 N -5.42 2.67 -4.65 3.87 4.77 -1.26 -2.79 117.00 114.19 1spk n LEU 24 Ca 0.05 0.50 -0.38 0.00 -0.03 0.00 0.00 56.01 56.14 1spk n LEU 24 Cb 0.33 -1.40 -0.08 0.00 -2.33 0.00 0.00 43.42 39.94 1spk n LEU 24 CO 0.05 -2.42 0.05 -0.22 -1.33 0.00 0.00 177.39 173.52 1spk s LEU 25 N -4.09 4.11 -0.24 2.23 2.96 -1.15 -4.60 118.68 117.89 1spk s LEU 25 Ca 0.67 0.37 -0.24 0.00 -0.22 0.00 0.00 54.13 54.72 1spk s LEU 25 Cb -0.27 -2.42 -0.01 0.00 0.50 0.00 0.00 46.19 43.99 1spk s LEU 25 CO 0.57 -0.10 0.79 -0.94 -1.32 0.00 0.00 176.35 175.36 1spk s SER 26 N 1.26 6.79 0.27 3.68 1.04 -1.26 -4.43 113.70 121.05 1spk s SER 26 Ca 0.16 0.98 -0.17 0.00 0.48 0.00 0.00 55.95 57.40 1spk s SER 26 Cb -0.15 -2.42 0.01 0.00 0.10 0.00 0.00 66.02 63.56 1spk s SER 26 CO 0.08 -0.48 0.62 0.72 0.98 0.00 0.00 173.24 175.16 1spk s PHE 27 N 2.74 0.05 0.10 5.02 -0.12 -1.23 -4.94 117.98 119.61 1spk s PHE 27 Ca 0.33 -0.48 0.08 0.00 -0.05 0.00 0.00 56.93 56.81 1spk s PHE 27 Cb -0.15 0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 42.70 1spk s PHE 27 CO 0.08 -1.15 -0.15 0.00 -0.05 0.00 0.00 175.22 173.95 1spk s ALA 28 N -3.90 2.78 0.05 1.99 0.00 -1.26 -3.48 121.76 117.94 1spk s ALA 28 Ca 0.16 -1.28 -0.37 0.00 0.00 0.00 0.00 51.96 50.47 1spk s ALA 28 Cb -0.04 -0.77 -0.17 0.00 0.00 0.00 0.00 23.12 22.14 1spk s ALA 28 CO 0.08 0.61 1.38 0.94 0.00 0.00 0.00 175.76 178.77 1spk n GLN 29 N 0.90 1.17 0.00 0.00 7.27 -1.26 -0.91 117.38 124.55 1spk n GLN 29 Ca -0.15 0.42 0.00 0.00 0.07 0.00 0.00 57.00 57.34 1spk n GLN 29 Cb 0.52 -2.07 0.00 0.00 2.41 0.00 0.00 30.24 31.10 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 2.69 1.93 3.54 1.69 0.00 -0.87 -5.00 105.19 109.16 1spk n GLY 30 Ca 0.19 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 0.04 -0.34 -4.41 1.61 9.92 -0.09 -4.62 116.55 118.66 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 -1.31 -0.14 0.00 -0.64 0.00 0.00 41.12 39.03 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 2.97 0.04 2.53 1.01 -1.26 -2.69 120.40 121.15 1spk s VAL 32 Ca 0.70 -0.72 0.09 0.00 0.00 0.00 0.00 61.98 62.04 1spk s VAL 32 Cb -0.36 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 1spk s VAL 32 CO 0.54 0.56 -0.25 -0.76 0.00 0.00 0.00 175.10 175.19 1spk s LEU 33 N -0.15 2.15 -0.22 3.92 1.43 -0.81 -3.03 118.68 121.98 1spk s LEU 33 Ca -0.01 -0.55 -0.16 0.00 -1.03 0.00 0.00 54.13 52.37 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 0.03 0.24 0.41 -0.89 0.23 0.00 0.00 176.35 176.37 1spk s THR 34 N -0.77 5.18 0.34 5.49 2.01 0.15 -2.22 115.64 125.81 1spk s THR 34 Ca 0.10 0.71 -0.26 0.00 0.31 0.00 0.00 61.69 62.56 1spk s THR 34 Cb -0.10 -3.74 -0.09 0.00 0.01 0.00 0.00 72.50 68.58 1spk s THR 34 CO 0.02 0.22 1.05 -0.76 -0.69 0.00 0.00 174.62 174.46 1spk s LEU 35 N 1.54 4.32 -0.07 4.42 1.02 -0.39 0.21 118.68 129.73 1spk s LEU 35 Ca 0.19 2.10 0.03 0.00 0.02 0.00 0.00 54.13 56.46 1spk s LEU 35 Cb -0.15 -3.95 -0.06 0.00 0.02 0.00 0.00 46.19 42.04 1spk s LEU 35 CO 0.08 -0.31 -0.03 0.18 0.02 0.00 0.00 176.35 176.29 1spk n LEU 36 N 0.48 1.72 -4.84 1.79 4.77 -1.25 -4.36 117.00 115.31 1spk n LEU 36 Ca 0.02 -0.02 -0.37 0.00 -0.03 0.00 0.00 56.01 55.61 1spk n LEU 36 Cb 0.48 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.41 1spk n LEU 36 CO 0.48 0.43 -0.03 0.27 -1.33 0.00 0.00 177.39 177.21 1spk s ILE 37 N -2.16 5.27 -0.62 -0.08 -4.36 -1.26 -4.93 121.20 113.06 1spk s ILE 37 Ca -0.08 0.53 0.25 0.00 -0.26 0.00 0.00 60.65 61.09 1spk s ILE 37 Cb 0.02 -3.56 0.27 0.00 1.25 0.00 0.00 42.46 40.43 1spk s ILE 37 CO 0.22 0.57 1.75 -0.81 0.24 0.00 0.00 174.94 176.91 1spk n PRO 38 N 2.10 0.22 -3.96 0.37 -0.04 -1.26 -4.81 135.00 127.62 1spk n PRO 38 Ca -0.16 0.31 -0.26 0.00 -0.04 0.00 0.00 63.50 63.34 1spk n PRO 38 Cb 0.53 -1.83 -0.02 0.00 -0.04 0.00 0.00 33.50 32.14 1spk n PRO 38 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1spk n GLU 39 N -2.22 0.80 -4.69 0.54 0.00 -1.26 -5.15 120.64 108.65 1spk n GLU 39 Ca 0.04 -3.25 -0.25 0.00 0.00 0.00 0.00 57.16 53.71 1spk n GLU 39 Cb 0.33 0.57 -0.14 0.00 0.00 0.00 0.00 31.44 32.19 1spk n GLU 39 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 1spk s GLU 40 N -3.91 1.35 0.00 3.44 1.03 -1.26 -4.76 118.70 114.60 1spk s GLU 40 Ca 0.17 -0.79 0.00 0.00 0.03 0.00 0.00 54.97 54.38 1spk s GLU 40 Cb -0.01 -1.39 0.00 0.00 -0.80 0.00 0.00 34.13 31.93 1spk s GLU 40 CO 0.11 0.36 0.00 1.63 -1.33 0.00 0.00 175.26 176.03 1spk n LYS 41 N 2.18 -0.56 -1.35 -4.83 4.76 0.52 -4.73 118.16 114.15 1spk n LYS 41 Ca -0.16 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.86 1spk n LYS 41 Cb 0.54 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.68 1spk n LYS 41 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1spk n ASP 42 N -2.01 2.81 0.00 4.39 9.92 -1.26 -3.36 116.55 127.05 1spk n ASP 42 Ca 0.00 -2.71 0.00 0.00 -0.53 0.00 0.00 54.79 51.55 1spk n ASP 42 Cb 0.00 -1.26 0.00 0.00 -0.64 0.00 0.00 41.12 39.22 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 4.60 0.78 3.49 0.44 0.00 -1.26 -5.03 105.19 108.21 1spk n GLY 43 Ca 0.50 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.94 2.33 0.03 1.61 0.52 -1.21 -2.31 118.94 116.96 1spk s TRP 44 Ca 0.00 -0.34 0.01 0.00 0.02 0.00 0.00 56.10 55.79 1spk s TRP 44 Cb 0.00 -1.05 -0.02 0.00 -1.15 0.00 0.00 33.47 31.25 1spk s TRP 44 CO 0.00 0.70 -0.05 -0.51 0.02 0.00 0.00 176.95 177.11 1spk s LEU 45 N -3.53 2.25 0.30 2.99 1.43 0.47 0.20 118.68 122.78 1spk s LEU 45 Ca 0.30 -0.54 0.07 0.00 -1.03 0.00 0.00 54.13 52.94 1spk s LEU 45 Cb -0.04 0.01 -0.03 0.00 0.03 0.00 0.00 46.19 46.15 1spk s LEU 45 CO 0.16 -0.27 0.24 -0.47 0.23 0.00 0.00 176.35 176.23 1spk s TYR 46 N -1.51 2.97 -2.32 0.29 5.04 -1.26 -1.57 117.35 118.98 1spk s TYR 46 Ca -0.13 -0.23 0.00 0.00 -2.44 0.00 0.00 57.07 54.27 1spk s TYR 46 Cb -0.09 -1.61 0.00 0.00 0.35 0.00 0.00 41.96 40.61 1spk s TYR 46 CO -0.01 0.34 0.00 0.41 -1.34 0.00 0.00 175.55 174.96 1spk n GLY 47 N -1.27 -1.66 3.36 8.97 0.00 -1.25 -3.80 105.19 109.55 1spk n GLY 47 Ca -0.04 -1.09 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.51 1.76 0.37 1.61 2.12 0.56 -3.05 118.70 120.55 1spk s GLU 48 Ca 0.00 -1.14 -0.24 0.00 0.36 0.00 0.00 54.97 53.95 1spk s GLU 48 Cb 0.00 -1.98 -0.10 0.00 0.26 0.00 0.00 34.13 32.30 1spk s GLU 48 CO 0.00 0.50 0.95 -1.58 -0.54 0.00 0.00 175.26 174.60 1spk s HIS 49 N -0.86 3.52 -0.35 5.30 5.65 -0.09 0.30 115.29 128.75 1spk s HIS 49 Ca 0.12 1.71 -0.02 0.00 0.25 0.00 0.00 55.06 57.12 1spk s HIS 49 Cb -0.10 -2.91 0.15 0.00 -1.18 0.00 0.00 32.58 28.54 1spk s HIS 49 CO 0.03 0.04 2.31 -3.47 -0.65 0.00 0.00 174.74 173.00 1spk n ASP 50 N 0.08 6.45 0.00 9.88 -0.08 -1.17 -3.40 116.55 128.30 1spk n ASP 50 Ca 0.04 -3.10 0.00 0.00 -1.51 0.00 0.00 54.79 50.22 1spk n ASP 50 Cb 0.51 -1.12 0.00 0.00 2.34 0.00 0.00 41.12 42.85 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 0.57 0.00 0.08 5.18 -1.04 -1.26 -4.92 114.28 112.89 1spk n THR 51 Ca 0.37 0.00 0.20 0.00 -2.04 0.00 0.00 64.05 62.58 1spk n THR 51 Cb 0.58 0.00 0.75 0.00 -1.82 0.00 0.00 70.33 69.84 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 0.47 0.00 12.58 1.35 -1.96 -3.44 112.91 121.92 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 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 67.12 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 -3.89 -0.05 -3.56 4.72 4.01 -1.22 -4.99 118.16 113.17 1spk n LYS 53 Ca 0.07 0.01 -0.22 0.00 -0.51 0.00 0.00 58.31 57.67 1spk n LYS 53 Cb 0.58 -2.92 -0.01 0.00 -0.51 0.00 0.00 35.03 32.17 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 -3.23 3.89 -0.06 7.82 0.00 -1.26 -4.76 121.76 124.15 1spk s ALA 54 Ca 0.00 -1.15 0.04 0.00 0.00 0.00 0.00 51.96 50.85 1spk s ALA 54 Cb 0.00 -1.89 -0.02 0.00 0.00 0.00 0.00 23.12 21.21 1spk s ALA 54 CO 0.00 0.03 -0.17 1.03 0.00 0.00 0.00 175.76 176.64 1spk s ARG 55 N -4.20 2.62 0.08 0.00 0.52 -1.26 -0.92 118.95 115.80 1spk s ARG 55 Ca 0.40 -0.76 0.01 0.00 -0.52 0.00 0.00 55.73 54.86 1spk s ARG 55 Cb -0.09 -2.34 -0.00 0.00 0.52 0.00 0.00 34.95 33.03 1spk s ARG 55 CO 0.33 0.50 0.04 0.41 0.02 0.00 0.00 175.30 176.59 1spk n GLY 56 N 2.66 3.91 3.48 -3.53 0.00 -1.17 -4.93 105.19 105.61 1spk n GLY 56 Ca -0.17 -1.90 -0.33 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.94 2.89 0.02 1.61 0.52 -1.12 -3.74 118.94 117.17 1spk s TRP 57 Ca 0.05 -0.28 -0.05 0.00 0.02 0.00 0.00 56.10 55.84 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 0.04 0.05 0.07 -0.59 0.02 0.00 0.00 176.95 176.54 1spk s PHE 58 N -0.15 0.16 -0.14 -1.98 -0.12 -0.61 -2.95 117.98 112.20 1spk s PHE 58 Ca 0.01 -0.38 -0.29 0.00 -0.05 0.00 0.00 56.93 56.21 1spk s PHE 58 Cb -0.13 -0.13 -0.02 0.00 -0.63 0.00 0.00 43.02 42.11 1spk s PHE 58 CO 0.03 -0.29 1.26 -1.25 -0.05 0.00 0.00 175.22 174.92 1spk s PRO 59 N -1.84 4.26 0.62 1.99 0.04 -1.26 0.18 135.00 138.98 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 -3.72 1.29 0.00 0.04 0.00 0.00 34.50 32.05 1spk s PRO 59 CO -0.01 -0.65 1.72 0.66 0.04 0.00 0.00 177.00 178.76 1spk h SER 60 N 8.06 0.00 0.41 6.66 4.64 -1.73 1.57 113.55 133.16 1spk h SER 60 Ca -0.29 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 63.20 1spk h SER 60 CO 0.95 0.00 -0.51 -1.28 -0.87 0.00 0.00 176.83 175.12 1spk h SER 61 N 0.00 0.13 -0.20 4.97 0.87 -1.90 -2.30 113.55 115.12 1spk h SER 61 Ca 0.20 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1spk h SER 61 Cb 1.46 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 1spk h SER 61 CO -0.00 0.61 0.00 -1.22 -0.53 0.00 0.00 176.83 175.69 1spk n TYR 62 N -3.94 0.32 -3.88 2.24 4.02 0.54 -4.82 117.16 111.64 1spk n TYR 62 Ca -0.02 -0.15 -0.10 0.00 -0.01 0.00 0.00 57.90 57.62 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 -1.69 0.11 0.09 -0.72 -4.23 -0.87 -2.29 115.64 106.03 1spk s THR 63 Ca 0.14 -0.90 0.05 0.00 -1.18 0.00 0.00 61.69 59.80 1spk s THR 63 Cb 0.08 -0.76 -0.03 0.00 1.34 0.00 0.00 72.50 73.12 1spk s THR 63 CO 0.09 -0.49 -0.12 -1.59 -0.54 0.00 0.00 174.62 171.96 1spk s LYS 64 N -2.22 0.84 0.00 3.99 -2.85 0.97 -4.84 119.74 115.64 1spk s LYS 64 Ca -0.08 -1.05 -0.30 0.00 -1.00 0.00 0.00 55.97 53.54 1spk s LYS 64 Cb -0.03 -0.70 -0.03 0.00 -2.06 0.00 0.00 37.83 35.00 1spk s LYS 64 CO -0.02 0.14 1.04 -0.51 0.10 0.00 0.00 175.35 176.09 1spk s LEU 65 N -2.08 4.36 1.22 2.77 1.43 -1.26 -0.14 118.68 124.98 1spk s LEU 65 Ca 0.02 1.73 -0.19 0.00 -1.03 0.00 0.00 54.13 54.66 1spk s LEU 65 Cb -0.07 -3.57 0.29 0.00 0.03 0.00 0.00 46.19 42.87 1spk s LEU 65 CO 0.02 -0.33 1.07 -0.76 0.23 0.00 0.00 176.35 176.58 1spk s LEU 66 N 1.13 0.46 -0.37 1.79 1.43 -1.04 -4.91 118.68 117.17 1spk s LEU 66 Ca 0.53 0.77 0.02 0.00 -1.03 0.00 0.00 54.13 54.42 1spk s LEU 66 Cb -0.23 -2.50 0.15 0.00 0.03 0.00 0.00 46.19 43.64 1spk s LEU 66 CO 0.27 -4.26 0.29 -0.44 0.23 0.00 0.00 176.35 172.44 1spk s SER 67 N -3.64 2.09 0.99 2.29 0.01 -1.26 -5.03 113.70 109.16 1spk s SER 67 Ca 0.70 -2.05 -0.11 0.00 1.31 0.00 0.00 55.95 55.80 1spk s SER 67 Cb -0.12 -0.01 0.17 0.00 0.21 0.00 0.00 66.02 66.27 1spk s SER 67 CO 0.57 -0.27 1.01 0.61 0.41 0.00 0.00 173.24 175.57 1spk n GLY 68 N 3.98 -1.01 3.70 3.44 0.00 -1.26 -4.93 105.19 109.12 1spk n GLY 68 Ca 0.14 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 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 -4.45 4.42 0.88 1.61 0.04 -1.26 -5.02 135.00 131.22 1spk s PRO 69 Ca 0.66 1.71 -0.11 0.00 0.04 0.00 0.00 61.00 63.30 1spk s PRO 69 Cb -0.23 -3.43 0.12 0.00 0.04 0.00 0.00 34.50 31.00 1spk s PRO 69 CO 0.61 -0.30 1.09 -1.54 0.04 0.00 0.00 177.00 176.90 1spk s SER 70 N 1.21 3.54 0.10 6.66 1.04 -1.26 -5.01 113.70 119.98 1spk s SER 70 Ca 0.57 1.67 0.00 0.00 0.48 0.00 0.00 55.95 58.68 1spk s SER 70 Cb -0.27 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1spk s SER 70 CO 0.27 -2.62 0.00 -1.54 0.98 0.00 0.00 173.24 170.33 1spk n SER 71 N -3.89 0.87 0.00 7.02 3.41 -1.26 -5.33 113.62 114.44 1spk n SER 71 Ca 0.08 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 1spk n SER 71 Cb 0.54 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1spk n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49