#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 2.67 -0.29 1.61 0.15 -1.26 -5.11 113.70 111.47 1spk s SER 2 Ca 0.00 -0.85 -0.26 0.00 0.70 0.00 0.00 55.95 55.53 1spk s SER 2 Cb 0.00 -0.16 0.18 0.00 -1.71 0.00 0.00 66.02 64.33 1spk s SER 2 CO 0.00 -0.39 1.37 -0.94 1.20 0.00 0.00 173.24 174.49 1spk s SER 3 N 2.16 -0.09 0.00 5.45 1.04 -1.26 -5.19 113.70 115.82 1spk s SER 3 Ca 0.06 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.64 1spk s SER 3 Cb -0.16 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.10 1spk s SER 3 CO -0.22 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.56 1spk n GLY 4 N 1.27 2.42 0.64 7.32 0.00 -1.26 -5.10 105.19 110.50 1spk n GLY 4 Ca -0.07 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 0.00 -3.74 1.61 2.88 -1.26 -5.03 113.62 108.08 1spk n SER 5 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 1spk n SER 5 Cb 0.00 -0.15 -0.16 0.00 -0.75 0.00 0.00 64.21 63.15 1spk n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1spk s SER 6 N -4.38 3.01 -0.31 -3.46 0.15 -1.26 -4.99 113.70 102.46 1spk s SER 6 Ca 0.00 -0.87 0.18 0.00 0.70 0.00 0.00 55.95 55.96 1spk s SER 6 Cb 0.00 -0.63 0.47 0.00 -1.71 0.00 0.00 66.02 64.14 1spk s SER 6 CO 0.00 -0.31 1.06 0.61 1.20 0.00 0.00 173.24 175.80 1spk n GLY 7 N 5.02 1.59 3.28 9.45 0.00 -1.26 -4.47 105.19 118.80 1spk n GLY 7 Ca -0.09 -1.08 -0.32 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.32 -1.76 -4.87 1.61 1.13 -1.26 -4.28 117.38 107.62 1spk n GLN 8 Ca 0.06 -0.50 -0.31 0.00 -1.94 0.00 0.00 57.00 54.32 1spk n GLN 8 Cb 0.82 -1.72 -0.14 0.00 0.11 0.00 0.00 30.24 29.31 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 -3.51 1.97 0.13 -1.09 1.02 -1.26 -1.07 119.74 115.93 1spk s LYS 9 Ca 0.57 -1.02 0.06 0.00 0.02 0.00 0.00 55.97 55.60 1spk s LYS 9 Cb -0.12 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 35.07 1spk s LYS 9 CO 0.65 0.53 -0.14 0.14 -0.92 0.00 0.00 175.35 175.61 1spk s VAL 10 N -0.82 1.38 -0.08 3.17 -7.23 -0.84 -1.52 120.40 114.46 1spk s VAL 10 Ca 0.12 -1.74 0.04 0.00 -1.81 0.00 0.00 61.98 58.60 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 -0.41 -0.22 -0.75 -0.31 0.00 0.00 175.10 173.44 1spk s LYS 11 N -2.70 2.59 -0.01 4.82 2.20 0.34 -2.00 119.74 124.97 1spk s LYS 11 Ca 0.10 -0.79 -0.30 0.00 -0.36 0.00 0.00 55.97 54.62 1spk s LYS 11 Cb -0.05 -2.05 -0.04 0.00 -1.51 0.00 0.00 37.83 34.18 1spk s LYS 11 CO 0.03 0.21 1.12 0.95 -0.36 0.00 0.00 175.35 177.31 1spk s THR 12 N 0.23 4.40 -1.10 3.43 -4.23 -1.08 -0.20 115.64 117.09 1spk s THR 12 Ca -0.13 1.71 0.22 0.00 -1.18 0.00 0.00 61.69 62.32 1spk s THR 12 Cb -0.16 -4.10 -0.14 0.00 1.34 0.00 0.00 72.50 69.44 1spk s THR 12 CO 0.06 0.08 1.06 2.30 -0.54 0.00 0.00 174.62 177.58 1spk n ILE 13 N 4.20 0.00 -3.84 2.99 -5.35 -1.19 -0.76 119.36 115.41 1spk n ILE 13 Ca 0.09 -0.02 -0.12 0.00 -0.27 0.00 0.00 62.75 62.43 1spk n ILE 13 Cb 0.48 0.82 -0.10 0.00 -1.74 0.00 0.00 39.64 39.09 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 -2.95 -0.04 0.51 4.28 0.08 -1.26 -4.92 117.98 113.68 1spk s PHE 14 Ca 0.10 0.06 -0.19 0.00 0.12 0.00 0.00 56.93 57.02 1spk s PHE 14 Cb 0.17 -0.00 -0.07 0.00 -0.57 0.00 0.00 43.02 42.54 1spk s PHE 14 CO 0.80 -0.27 1.04 -1.25 -0.10 0.00 0.00 175.22 175.44 1spk s PRO 15 N -1.09 3.71 -0.38 0.24 0.04 -1.26 -4.43 135.00 131.83 1spk s PRO 15 Ca -0.12 1.32 0.06 0.00 0.04 0.00 0.00 61.00 62.30 1spk s PRO 15 Cb -0.06 -2.08 0.18 0.00 0.04 0.00 0.00 34.50 32.58 1spk s PRO 15 CO 0.02 -0.50 0.66 -1.58 0.04 0.00 0.00 177.00 175.63 1spk s HIS 16 N -2.09 -1.65 0.20 0.56 2.46 -1.24 -4.97 115.29 108.56 1spk s HIS 16 Ca 0.66 0.42 -0.14 0.00 0.47 0.00 0.00 55.06 56.48 1spk s HIS 16 Cb -0.16 0.30 -0.07 0.00 -0.13 0.00 0.00 32.58 32.51 1spk s HIS 16 CO 0.24 -1.08 0.60 0.99 -2.47 0.00 0.00 174.74 173.01 1spk s THR 17 N 2.09 4.82 -0.13 0.89 2.01 -1.26 -3.64 115.64 120.41 1spk s THR 17 Ca 0.15 0.80 -0.20 0.00 0.31 0.00 0.00 61.69 62.75 1spk s THR 17 Cb -0.05 -3.70 -0.17 0.00 0.01 0.00 0.00 72.50 68.59 1spk s THR 17 CO -0.12 0.09 0.48 0.00 -0.69 0.00 0.00 174.62 174.38 1spk h ALA 18 N 3.08 0.02 0.00 7.40 0.00 -1.86 -3.48 119.26 124.43 1spk h ALA 18 Ca -0.48 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1spk h ALA 18 Cb 1.18 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1spk h ALA 18 CO 0.67 0.07 0.00 0.41 0.00 0.00 0.00 179.25 180.40 1spk n GLY 19 N 1.64 1.79 1.52 0.00 0.00 -1.26 -3.75 105.19 105.14 1spk n GLY 19 Ca -0.09 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1spk n GLY 19 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1spk n ASN 20 N 3.58 0.04 -4.22 1.61 3.02 -1.26 -5.09 115.26 112.94 1spk n ASN 20 Ca 0.00 0.03 -0.37 0.00 -0.03 0.00 0.00 54.58 54.21 1spk n ASN 20 Cb 0.00 0.01 0.04 0.00 -0.61 0.00 0.00 39.78 39.21 1spk n ASN 20 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1spk n ASN 21 N -2.81 -3.83 -0.07 6.41 3.02 -1.25 -4.94 115.26 111.80 1spk n ASN 21 Ca 0.00 0.46 -0.14 0.00 -0.03 0.00 0.00 54.58 54.87 1spk n ASN 21 Cb 0.22 -0.92 -0.05 0.00 -0.61 0.00 0.00 39.78 38.42 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 1.17 0.30 -0.34 3.52 5.02 -1.26 -4.59 118.16 121.98 1spk n LYS 22 Ca 0.05 0.13 0.19 0.00 -2.02 0.00 0.00 58.31 56.66 1spk n LYS 22 Cb 0.51 -1.00 0.43 0.00 -0.02 0.00 0.00 35.03 34.95 1spk n LYS 22 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1spk h THR 23 N -0.51 0.55 -3.65 -0.18 1.03 -1.94 -3.40 112.91 104.81 1spk h THR 23 Ca -0.32 -0.18 -0.52 0.00 -0.01 0.00 0.00 66.41 65.39 1spk h THR 23 Cb 1.23 -0.02 0.03 0.00 -1.07 0.00 0.00 68.15 68.31 1spk h THR 23 CO -0.19 0.09 0.55 -0.76 -0.01 0.00 0.00 175.52 175.20 1spk s LEU 24 N -10.04 4.48 -0.20 0.00 1.43 -1.26 0.19 118.68 113.28 1spk s LEU 24 Ca -0.10 2.33 -0.16 0.00 -1.03 0.00 0.00 54.13 55.16 1spk s LEU 24 Cb 0.26 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.82 1spk s LEU 24 CO 0.80 -0.33 0.43 -0.22 0.23 0.00 0.00 176.35 177.26 1spk s LEU 25 N -0.88 4.16 -0.24 1.79 2.96 -1.18 -4.72 118.68 120.57 1spk s LEU 25 Ca 0.50 0.56 -0.20 0.00 -0.22 0.00 0.00 54.13 54.77 1spk s LEU 25 Cb -0.34 -2.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.77 1spk s LEU 25 CO 0.41 -0.09 0.62 -0.94 -1.32 0.00 0.00 176.35 175.03 1spk s SER 26 N 1.04 6.59 0.35 3.68 1.04 -1.26 -4.57 113.70 120.57 1spk s SER 26 Ca 0.20 0.72 -0.12 0.00 0.48 0.00 0.00 55.95 57.23 1spk s SER 26 Cb -0.15 -2.34 0.03 0.00 0.10 0.00 0.00 66.02 63.67 1spk s SER 26 CO 0.08 -0.35 0.67 0.72 0.98 0.00 0.00 173.24 175.35 1spk s PHE 27 N 2.37 0.37 0.17 5.02 -0.12 -1.24 -4.97 117.98 119.59 1spk s PHE 27 Ca 0.26 -0.88 0.09 0.00 -0.05 0.00 0.00 56.93 56.36 1spk s PHE 27 Cb -0.16 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.71 1spk s PHE 27 CO 0.09 -1.37 -0.14 0.00 -0.05 0.00 0.00 175.22 173.75 1spk s ALA 28 N -2.82 2.82 0.09 1.99 0.00 -1.26 -3.71 121.76 118.88 1spk s ALA 28 Ca 0.20 -1.47 -0.33 0.00 0.00 0.00 0.00 51.96 50.35 1spk s ALA 28 Cb -0.04 -0.65 -0.12 0.00 0.00 0.00 0.00 23.12 22.31 1spk s ALA 28 CO 0.13 0.49 1.73 0.94 0.00 0.00 0.00 175.76 179.06 1spk n GLN 29 N 0.24 2.36 0.00 0.00 7.27 -1.26 -1.74 117.38 124.25 1spk n GLN 29 Ca -0.12 0.86 0.00 0.00 0.07 0.00 0.00 57.00 57.81 1spk n GLN 29 Cb 0.55 -2.68 0.00 0.00 2.41 0.00 0.00 30.24 30.52 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 3.92 2.11 3.46 1.69 0.00 0.06 -4.99 105.19 111.44 1spk n GLY 30 Ca 0.19 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 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 0.11 -1.25 -4.46 1.61 9.92 -0.71 -4.51 116.55 117.27 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 -1.19 -0.13 0.00 -0.64 0.00 0.00 41.12 39.16 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 3.29 -0.00 2.53 1.01 -1.26 -2.63 120.40 121.50 1spk s VAL 32 Ca 0.66 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 62.11 1spk s VAL 32 Cb -0.38 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 1spk s VAL 32 CO 0.57 0.55 -0.24 -0.76 0.00 0.00 0.00 175.10 175.22 1spk s LEU 33 N -0.16 2.08 -0.22 3.92 1.43 -0.85 -3.16 118.68 121.72 1spk s LEU 33 Ca 0.00 -0.47 -0.16 0.00 -1.03 0.00 0.00 54.13 52.47 1spk s LEU 33 Cb -0.13 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 1spk s LEU 33 CO 0.03 0.28 0.42 -0.89 0.23 0.00 0.00 176.35 176.41 1spk s THR 34 N -0.63 5.17 0.52 5.49 2.01 0.45 -2.00 115.64 126.65 1spk s THR 34 Ca 0.10 0.72 -0.20 0.00 0.31 0.00 0.00 61.69 62.62 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 1.11 -0.76 -0.69 0.00 0.00 174.62 174.49 1spk s LEU 35 N 1.57 3.80 -0.05 4.42 1.02 -0.23 0.21 118.68 129.41 1spk s LEU 35 Ca 0.19 2.12 -0.02 0.00 0.02 0.00 0.00 54.13 56.44 1spk s LEU 35 Cb -0.15 -4.55 -0.02 0.00 0.02 0.00 0.00 46.19 41.49 1spk s LEU 35 CO 0.08 -1.08 -0.06 0.18 0.02 0.00 0.00 176.35 175.49 1spk n LEU 36 N -1.15 0.92 -4.85 1.79 4.77 -1.20 -4.29 117.00 112.99 1spk n LEU 36 Ca 0.11 0.04 -0.37 0.00 -0.03 0.00 0.00 56.01 55.76 1spk n LEU 36 Cb 0.51 -0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 41.39 1spk n LEU 36 CO 0.42 0.21 -0.06 0.27 -1.33 0.00 0.00 177.39 176.89 1spk s ILE 37 N -2.09 5.32 -0.38 -0.08 -4.36 -1.26 -4.79 121.20 113.55 1spk s ILE 37 Ca -0.07 0.45 0.27 0.00 -0.26 0.00 0.00 60.65 61.04 1spk s ILE 37 Cb 0.02 -3.53 0.32 0.00 1.25 0.00 0.00 42.46 40.53 1spk s ILE 37 CO 0.09 0.59 1.77 1.55 0.24 0.00 0.00 174.94 179.18 1spk h PRO 38 N 5.04 0.00 0.00 0.37 0.13 -1.96 -3.45 132.00 132.13 1spk h PRO 38 Ca -0.53 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.18 1spk h PRO 38 Cb 1.22 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.38 1spk h PRO 38 CO 0.61 0.00 -0.04 -0.85 -0.23 0.00 0.00 178.00 177.49 1spk n GLU 39 N -2.68 0.58 -4.42 0.86 0.00 -1.26 -5.14 120.64 108.58 1spk n GLU 39 Ca 0.03 -2.72 -0.21 0.00 0.00 0.00 0.00 57.16 54.27 1spk n GLU 39 Cb 0.37 -0.25 -0.10 0.00 0.00 0.00 0.00 31.44 31.46 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 -4.37 1.54 -0.85 3.44 1.03 -1.26 -4.71 118.70 113.52 1spk s GLU 40 Ca 0.54 -1.79 -0.02 0.00 0.03 0.00 0.00 54.97 53.73 1spk s GLU 40 Cb -0.04 -1.07 0.29 0.00 -0.80 0.00 0.00 34.13 32.51 1spk s GLU 40 CO 0.35 0.00 2.11 1.63 -1.33 0.00 0.00 175.26 178.01 1spk n LYS 41 N -0.58 3.32 -2.76 -4.83 5.02 0.52 -4.72 118.16 114.12 1spk n LYS 41 Ca -0.05 -3.58 -0.10 0.00 -2.02 0.00 0.00 58.31 52.56 1spk n LYS 41 Cb 0.64 -2.31 0.05 0.00 -0.02 0.00 0.00 35.03 33.39 1spk n LYS 41 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1spk n ASP 42 N -0.15 -3.06 0.00 4.39 9.92 -1.26 -3.49 116.55 122.89 1spk n ASP 42 Ca 0.52 -0.40 0.00 0.00 -0.53 0.00 0.00 54.79 54.38 1spk n ASP 42 Cb 0.28 -3.35 0.00 0.00 -0.64 0.00 0.00 41.12 37.41 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 -1.17 2.90 3.83 0.44 0.00 -1.26 -5.05 105.19 104.88 1spk n GLY 43 Ca -0.13 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.90 3.37 0.06 1.61 0.52 -1.23 -1.00 118.94 121.37 1spk s TRP 44 Ca 0.00 1.46 0.04 0.00 0.02 0.00 0.00 56.10 57.62 1spk s TRP 44 Cb 0.00 -2.74 -0.03 0.00 -1.15 0.00 0.00 33.47 29.55 1spk s TRP 44 CO 0.00 -0.13 -0.12 -0.51 0.02 0.00 0.00 176.95 176.22 1spk s LEU 45 N -3.39 2.28 0.20 2.99 1.43 0.17 0.19 118.68 122.55 1spk s LEU 45 Ca 0.59 -0.61 0.06 0.00 -1.03 0.00 0.00 54.13 53.14 1spk s LEU 45 Cb -0.10 -0.39 -0.04 0.00 0.03 0.00 0.00 46.19 45.70 1spk s LEU 45 CO 0.19 -0.13 0.13 -0.47 0.23 0.00 0.00 176.35 176.31 1spk s TYR 46 N -1.38 3.08 -0.05 0.29 5.04 -1.26 -2.05 117.35 121.02 1spk s TYR 46 Ca -0.04 -0.07 -0.29 0.00 -2.44 0.00 0.00 57.07 54.23 1spk s TYR 46 Cb -0.10 -1.45 0.09 0.00 0.35 0.00 0.00 41.96 40.86 1spk s TYR 46 CO 0.02 0.52 1.30 0.41 -1.34 0.00 0.00 175.55 176.46 1spk n GLY 47 N -0.60 0.17 3.61 8.97 0.00 -1.24 -3.21 105.19 112.89 1spk n GLY 47 Ca -0.08 -1.03 -0.32 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 -2.01 2.56 0.20 1.61 2.12 0.56 -3.09 118.70 120.65 1spk s GLU 48 Ca 0.31 -0.73 -0.25 0.00 0.36 0.00 0.00 54.97 54.65 1spk s GLU 48 Cb -0.01 -2.51 -0.08 0.00 0.26 0.00 0.00 34.13 31.79 1spk s GLU 48 CO -0.01 0.60 0.81 -1.58 -0.54 0.00 0.00 175.26 174.53 1spk s HIS 49 N -1.04 3.87 -0.33 5.30 5.65 -0.58 -0.41 115.29 127.74 1spk s HIS 49 Ca 0.18 1.66 -0.02 0.00 0.25 0.00 0.00 55.06 57.13 1spk s HIS 49 Cb -0.11 -2.79 0.12 0.00 -1.18 0.00 0.00 32.58 28.62 1spk s HIS 49 CO 0.09 0.46 2.36 -3.47 -0.65 0.00 0.00 174.74 173.52 1spk n ASP 50 N 1.36 6.34 0.00 9.88 2.03 -1.19 -3.38 116.55 131.60 1spk n ASP 50 Ca -0.04 -3.04 0.00 0.00 0.52 0.00 0.00 54.79 52.23 1spk n ASP 50 Cb 0.49 -1.14 0.00 0.00 -0.72 0.00 0.00 41.12 39.75 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 0.71 0.00 0.23 5.18 -1.04 -1.26 -4.91 114.28 113.19 1spk n THR 51 Ca 0.35 0.00 0.18 0.00 -2.04 0.00 0.00 64.05 62.54 1spk n THR 51 Cb 0.59 0.00 0.80 0.00 -1.82 0.00 0.00 70.33 69.90 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 0.19 0.00 12.58 1.35 -1.96 -3.44 112.91 121.64 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 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 67.11 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 -3.29 -0.06 -3.72 4.72 4.01 -1.22 -4.99 118.16 113.61 1spk n LYS 53 Ca 0.02 0.01 -0.27 0.00 -0.51 0.00 0.00 58.31 57.57 1spk n LYS 53 Cb 0.46 -2.94 -0.03 0.00 -0.51 0.00 0.00 35.03 32.01 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 -3.20 3.84 -0.09 7.82 0.00 -1.26 -4.76 121.76 124.11 1spk s ALA 54 Ca 0.00 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.09 1spk s ALA 54 Cb 0.00 -1.96 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 1spk s ALA 54 CO 0.00 0.41 -0.09 1.03 0.00 0.00 0.00 175.76 177.10 1spk s ARG 55 N -3.41 2.92 0.02 0.00 3.00 -1.26 -1.53 118.95 118.69 1spk s ARG 55 Ca 0.38 -0.61 0.00 0.00 0.00 0.00 0.00 55.73 55.50 1spk s ARG 55 Cb -0.11 -2.59 -0.00 0.00 0.00 0.00 0.00 34.95 32.26 1spk s ARG 55 CO 0.29 0.52 0.01 0.41 0.00 0.00 0.00 175.30 176.53 1spk n GLY 56 N 2.65 4.03 3.49 -3.53 0.00 -1.18 -4.96 105.19 105.69 1spk n GLY 56 Ca -0.18 -1.86 -0.33 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.75 2.89 0.02 1.61 0.52 0.49 -3.66 118.94 119.06 1spk s TRP 57 Ca 0.02 -0.25 -0.04 0.00 0.02 0.00 0.00 56.10 55.85 1spk s TRP 57 Cb 0.00 -1.79 -0.01 0.00 -1.15 0.00 0.00 33.47 30.52 1spk s TRP 57 CO 0.01 0.08 0.05 -0.59 0.02 0.00 0.00 176.95 176.53 1spk s PHE 58 N -0.22 0.19 -0.10 -1.98 -0.12 -0.87 -3.11 117.98 111.77 1spk s PHE 58 Ca 0.02 -0.42 -0.30 0.00 -0.05 0.00 0.00 56.93 56.19 1spk s PHE 58 Cb -0.13 -0.14 -0.03 0.00 -0.63 0.00 0.00 43.02 42.09 1spk s PHE 58 CO 0.03 -0.27 1.24 -1.25 -0.05 0.00 0.00 175.22 174.92 1spk s PRO 59 N -1.79 4.30 0.61 1.99 0.04 -1.26 0.45 135.00 139.33 1spk s PRO 59 Ca -0.12 1.69 0.28 0.00 0.04 0.00 0.00 61.00 62.89 1spk s PRO 59 Cb -0.07 -3.65 1.42 0.00 0.04 0.00 0.00 34.50 32.25 1spk s PRO 59 CO -0.01 -0.56 1.83 0.66 0.04 0.00 0.00 177.00 178.95 1spk h SER 60 N 7.80 0.00 0.73 6.66 4.64 -1.35 1.48 113.55 133.51 1spk h SER 60 Ca -0.31 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.94 1spk h SER 60 Cb 1.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 1spk h SER 60 CO 0.92 0.00 -0.31 0.28 -0.87 0.00 0.00 176.83 176.85 1spk h SER 61 N 0.00 0.00 -0.44 4.97 0.02 -1.90 -2.13 113.55 114.07 1spk h SER 61 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1spk h SER 61 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1spk h SER 61 CO -0.00 0.31 0.00 -1.22 -1.14 0.00 0.00 176.83 174.78 1spk n TYR 62 N -3.59 0.65 -3.88 3.45 4.02 0.51 -4.87 117.16 113.45 1spk n TYR 62 Ca -0.01 -0.31 -0.10 0.00 -0.01 0.00 0.00 57.90 57.47 1spk n TYR 62 Cb 0.44 -0.03 -0.09 0.00 -0.02 0.00 0.00 39.34 39.64 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 -1.45 0.10 0.11 -0.72 -4.23 -0.80 -3.19 115.64 105.46 1spk s THR 63 Ca 0.30 -0.86 0.04 0.00 -1.18 0.00 0.00 61.69 60.00 1spk s THR 63 Cb 0.16 -0.69 -0.04 0.00 1.34 0.00 0.00 72.50 73.27 1spk s THR 63 CO 0.19 -0.47 -0.11 -0.54 -0.54 0.00 0.00 174.62 173.16 1spk s LYS 64 N -2.04 0.92 0.13 3.99 1.02 0.72 -4.83 119.74 119.65 1spk s LYS 64 Ca -0.09 -1.24 -0.30 0.00 0.02 0.00 0.00 55.97 54.36 1spk s LYS 64 Cb -0.04 -0.61 -0.07 0.00 -0.52 0.00 0.00 37.83 36.59 1spk s LYS 64 CO -0.01 0.10 1.14 -0.51 -0.92 0.00 0.00 175.35 175.15 1spk s LEU 65 N -2.60 4.44 1.23 3.17 1.43 -1.26 0.12 118.68 125.21 1spk s LEU 65 Ca 0.08 2.07 -0.14 0.00 -1.03 0.00 0.00 54.13 55.11 1spk s LEU 65 Cb -0.02 -3.59 0.31 0.00 0.03 0.00 0.00 46.19 42.92 1spk s LEU 65 CO 0.01 -0.33 0.99 0.18 0.23 0.00 0.00 176.35 177.42 1spk n LEU 66 N 3.00 -1.83 -3.26 1.79 4.77 -0.58 -4.80 117.00 116.09 1spk n LEU 66 Ca 0.05 -0.28 -0.18 0.00 -0.03 0.00 0.00 56.01 55.57 1spk n LEU 66 Cb 0.46 -1.22 -0.07 0.00 -2.33 0.00 0.00 43.42 40.26 1spk n LEU 66 CO 0.55 -3.52 -0.17 -0.44 -1.33 0.00 0.00 177.39 172.48 1spk s SER 67 N -2.43 0.83 1.35 -1.43 0.01 -1.26 -5.04 113.70 105.73 1spk s SER 67 Ca 0.69 -2.14 -0.21 0.00 1.31 0.00 0.00 55.95 55.60 1spk s SER 67 Cb -0.25 0.44 0.32 0.00 0.21 0.00 0.00 66.02 66.74 1spk s SER 67 CO 0.65 -0.19 0.87 0.61 0.41 0.00 0.00 173.24 175.59 1spk n GLY 68 N 3.51 -3.43 3.79 3.44 0.00 -1.26 -4.98 105.19 106.26 1spk n GLY 68 Ca 0.19 -1.37 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 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 -5.03 3.95 0.48 1.61 0.04 -1.26 -4.80 135.00 129.98 1spk s PRO 69 Ca 0.62 1.42 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1spk s PRO 69 Cb -0.09 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.18 1spk s PRO 69 CO 0.50 -0.31 0.00 0.45 0.04 0.00 0.00 177.00 177.68 1spk n SER 70 N -0.60 -7.66 0.02 6.66 2.88 -1.26 -5.02 113.62 108.65 1spk n SER 70 Ca 0.08 1.22 -0.02 0.00 -1.33 0.00 0.00 58.87 58.82 1spk n SER 70 Cb 0.51 -4.18 -0.01 0.00 -0.75 0.00 0.00 64.21 59.79 1spk n SER 70 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1spk n SER 71 N -1.26 1.26 0.00 -3.46 7.64 -1.26 -5.16 113.62 111.39 1spk n SER 71 Ca 0.00 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1spk n SER 71 Cb 0.09 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1spk n SER 71 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64