#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1spk h SER 2 N 0.00 0.00 -5.82 1.61 0.02 -2.04 -3.49 113.55 103.82 1spk h SER 2 Ca 0.00 -0.80 -0.13 0.00 -0.84 0.00 0.00 61.79 60.02 1spk h SER 2 Cb 0.00 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.55 1spk h SER 2 CO 0.00 1.09 -0.88 -1.20 -1.14 0.00 0.00 176.83 174.71 1spk n SER 3 N -4.57 -6.99 0.00 3.07 7.64 -1.26 -5.00 113.62 106.51 1spk n SER 3 Ca -0.15 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1spk n SER 3 Cb 0.50 -3.67 0.00 0.00 -1.01 0.00 0.00 64.21 60.03 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 0.09 3.74 0.00 0.23 0.00 -1.26 -5.16 105.19 102.84 1spk n GLY 4 Ca 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1spk n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1spk n SER 5 N 0.00 0.00 -4.55 1.61 7.64 -1.26 -5.01 113.62 112.06 1spk n SER 5 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.70 1spk n SER 5 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 1spk n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1spk n SER 6 N 0.00 1.33 0.00 6.43 7.64 -1.26 -3.40 113.62 124.36 1spk n SER 6 Ca 0.00 -1.17 0.00 0.00 1.01 0.00 0.00 58.87 58.71 1spk n SER 6 Cb 0.00 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 61.74 1spk n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1spk n GLY 7 N 6.50 0.00 3.44 0.23 0.00 -1.26 -5.00 105.19 109.10 1spk n GLY 7 Ca 0.49 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.10 -4.91 1.61 1.13 -1.22 -4.53 117.38 107.37 1spk n GLN 8 Ca 0.00 -0.58 -0.31 0.00 -1.94 0.00 0.00 57.00 54.17 1spk n GLN 8 Cb 0.00 -2.07 -0.14 0.00 0.11 0.00 0.00 30.24 28.14 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 -4.19 2.01 0.12 -1.09 1.02 -1.26 -1.66 119.74 114.70 1spk s LYS 9 Ca 0.65 -0.99 0.06 0.00 0.02 0.00 0.00 55.97 55.71 1spk s LYS 9 Cb -0.22 -2.10 -0.04 0.00 -0.52 0.00 0.00 37.83 34.95 1spk s LYS 9 CO 0.65 0.54 -0.14 0.14 -0.92 0.00 0.00 175.35 175.62 1spk s VAL 10 N -0.80 1.30 -0.02 3.17 -7.23 -1.00 -2.32 120.40 113.50 1spk s VAL 10 Ca 0.12 -1.70 0.07 0.00 -1.81 0.00 0.00 61.98 58.66 1spk s VAL 10 Cb -0.10 -1.51 -0.02 0.00 0.56 0.00 0.00 36.38 35.31 1spk s VAL 10 CO 0.02 -0.42 -0.22 -0.75 -0.31 0.00 0.00 175.10 173.43 1spk s LYS 11 N -2.65 1.77 -0.05 4.82 2.20 0.13 -1.96 119.74 124.00 1spk s LYS 11 Ca 0.08 -0.77 -0.27 0.00 -0.36 0.00 0.00 55.97 54.65 1spk s LYS 11 Cb -0.05 -1.70 -0.03 0.00 -1.51 0.00 0.00 37.83 34.54 1spk s LYS 11 CO 0.03 0.46 0.86 0.95 -0.36 0.00 0.00 175.35 177.29 1spk s THR 12 N -0.49 4.93 -1.44 3.43 -4.23 -1.01 0.13 115.64 116.96 1spk s THR 12 Ca 0.08 1.79 0.23 0.00 -1.18 0.00 0.00 61.69 62.61 1spk s THR 12 Cb -0.08 -4.20 -0.02 0.00 1.34 0.00 0.00 72.50 69.54 1spk s THR 12 CO -0.01 0.16 1.19 2.30 -0.54 0.00 0.00 174.62 177.73 1spk n ILE 13 N 4.02 0.00 -3.80 2.99 -5.35 -1.17 -0.82 119.36 115.23 1spk n ILE 13 Ca 0.03 -0.10 -0.12 0.00 -0.27 0.00 0.00 62.75 62.30 1spk n ILE 13 Cb 0.51 0.80 -0.09 0.00 -1.74 0.00 0.00 39.64 39.12 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 -2.76 -0.08 0.38 4.28 0.08 -1.26 -4.93 117.98 113.69 1spk s PHE 14 Ca 0.15 0.05 -0.25 0.00 0.12 0.00 0.00 56.93 57.00 1spk s PHE 14 Cb 0.18 0.04 -0.09 0.00 -0.57 0.00 0.00 43.02 42.58 1spk s PHE 14 CO 0.68 -0.38 1.06 -1.25 -0.10 0.00 0.00 175.22 175.23 1spk s PRO 15 N -1.66 4.24 -0.35 0.24 0.04 -1.26 -4.37 135.00 131.88 1spk s PRO 15 Ca -0.12 1.56 0.05 0.00 0.04 0.00 0.00 61.00 62.54 1spk s PRO 15 Cb -0.05 -2.66 0.17 0.00 0.04 0.00 0.00 34.50 32.01 1spk s PRO 15 CO 0.02 -0.08 0.49 -1.58 0.04 0.00 0.00 177.00 175.89 1spk s HIS 16 N -1.57 -1.17 0.66 0.56 2.46 -1.24 -4.98 115.29 110.01 1spk s HIS 16 Ca 0.55 0.11 -0.13 0.00 0.47 0.00 0.00 55.06 56.07 1spk s HIS 16 Cb -0.24 -0.01 -0.00 0.00 -0.13 0.00 0.00 32.58 32.20 1spk s HIS 16 CO 0.30 -1.06 1.07 -0.08 -2.47 0.00 0.00 174.74 172.50 1spk s THR 17 N 2.08 3.79 0.00 0.89 -1.32 -1.26 -3.44 115.64 116.38 1spk s THR 17 Ca 0.14 0.70 0.00 0.00 -1.21 0.00 0.00 61.69 61.31 1spk s THR 17 Cb -0.10 -3.30 0.00 0.00 -1.51 0.00 0.00 72.50 67.58 1spk s THR 17 CO -0.16 -0.64 0.65 0.00 -2.21 0.00 0.00 174.62 172.26 1spk n ALA 18 N -2.71 1.35 -1.24 11.08 0.00 -1.26 -4.80 120.51 122.93 1spk n ALA 18 Ca 0.08 -0.65 -0.44 0.00 0.00 0.00 0.00 53.44 52.43 1spk n ALA 18 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.18 -1.29 5.00 0.00 0.00 -1.26 -0.88 105.19 106.58 1spk n GLY 19 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 1.67 0.00 -3.36 1.61 5.15 -1.26 -4.90 115.26 114.17 1spk n ASN 20 Ca 0.16 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 53.89 1spk n ASN 20 Cb 0.19 0.00 0.24 0.00 -0.53 0.00 0.00 39.78 39.68 1spk n ASN 20 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1spk n ASN 21 N 3.81 -3.75 0.08 1.20 4.13 -0.06 -5.02 115.26 115.65 1spk n ASN 21 Ca 0.00 -0.69 0.00 0.00 1.68 0.00 0.00 54.58 55.57 1spk n ASN 21 Cb 0.00 -0.92 0.00 0.00 -1.54 0.00 0.00 39.78 37.32 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 -4.32 0.00 -0.31 3.52 4.76 -1.26 -4.83 118.16 115.71 1spk n LYS 22 Ca 0.11 0.00 0.15 0.00 -2.87 0.00 0.00 58.31 55.70 1spk n LYS 22 Cb 0.49 -0.16 0.32 0.00 -1.84 0.00 0.00 35.03 33.85 1spk n LYS 22 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1spk h THR 23 N 0.00 0.21 -3.93 -0.18 1.03 -1.94 -3.39 112.91 104.71 1spk h THR 23 Ca 0.00 -0.05 -0.51 0.00 -0.01 0.00 0.00 66.41 65.84 1spk h THR 23 Cb 0.00 0.06 0.05 0.00 -1.07 0.00 0.00 68.15 67.19 1spk h THR 23 CO 0.00 0.03 0.51 -0.76 -0.01 0.00 0.00 175.52 175.29 1spk s LEU 24 N -10.72 4.23 -0.16 0.00 1.43 -1.26 0.18 118.68 112.38 1spk s LEU 24 Ca -0.12 2.37 -0.08 0.00 -1.03 0.00 0.00 54.13 55.27 1spk s LEU 24 Cb 0.27 -3.97 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 1spk s LEU 24 CO 0.77 -0.64 0.11 -0.22 0.23 0.00 0.00 176.35 176.60 1spk s LEU 25 N -2.39 4.13 -0.25 1.79 2.96 -1.21 -4.69 118.68 119.02 1spk s LEU 25 Ca 0.56 0.27 -0.15 0.00 -0.22 0.00 0.00 54.13 54.58 1spk s LEU 25 Cb -0.31 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.31 1spk s LEU 25 CO 0.40 0.27 0.39 -0.94 -1.32 0.00 0.00 176.35 175.15 1spk s SER 26 N -0.19 6.32 0.35 3.68 1.04 -1.26 -4.16 113.70 119.48 1spk s SER 26 Ca 0.10 0.37 -0.14 0.00 0.48 0.00 0.00 55.95 56.75 1spk s SER 26 Cb -0.12 -2.22 0.04 0.00 0.10 0.00 0.00 66.02 63.82 1spk s SER 26 CO 0.01 -0.16 0.71 0.72 0.98 0.00 0.00 173.24 175.49 1spk s PHE 27 N 1.87 0.25 0.09 5.02 -0.12 -1.22 -4.92 117.98 118.95 1spk s PHE 27 Ca 0.16 -0.79 0.09 0.00 -0.05 0.00 0.00 56.93 56.34 1spk s PHE 27 Cb -0.15 0.62 -0.03 0.00 -0.63 0.00 0.00 43.02 42.82 1spk s PHE 27 CO 0.09 -1.41 -0.24 0.00 -0.05 0.00 0.00 175.22 173.61 1spk s ALA 28 N -2.80 2.08 0.15 1.99 0.00 -1.26 -3.68 121.76 118.22 1spk s ALA 28 Ca 0.18 -1.28 -0.33 0.00 0.00 0.00 0.00 51.96 50.52 1spk s ALA 28 Cb -0.04 -0.36 -0.17 0.00 0.00 0.00 0.00 23.12 22.55 1spk s ALA 28 CO 0.12 0.46 1.07 0.94 0.00 0.00 0.00 175.76 178.36 1spk n GLN 29 N 1.35 0.83 0.00 0.00 7.27 -1.26 -1.00 117.38 124.57 1spk n GLN 29 Ca -0.18 0.30 0.00 0.00 0.07 0.00 0.00 57.00 57.19 1spk n GLN 29 Cb 0.53 -1.74 0.00 0.00 2.41 0.00 0.00 30.24 31.44 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 1.94 2.48 3.57 1.69 0.00 -0.00 -4.99 105.19 109.88 1spk n GLY 30 Ca 0.16 -0.03 -0.37 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 0.03 0.12 -4.35 1.61 9.92 -0.17 -4.60 116.55 119.10 1spk n ASP 31 Ca 0.00 0.73 -0.32 0.00 -0.53 0.00 0.00 54.79 54.67 1spk n ASP 31 Cb 0.00 -1.33 -0.15 0.00 -0.64 0.00 0.00 41.12 39.00 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 -1.66 2.66 -0.03 2.53 1.01 -1.26 -2.40 120.40 121.24 1spk s VAL 32 Ca 0.73 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.94 1spk s VAL 32 Cb -0.40 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 1spk s VAL 32 CO 0.50 0.56 -0.23 -0.76 0.00 0.00 0.00 175.10 175.17 1spk s LEU 33 N -0.08 2.03 -0.20 3.92 1.43 -0.83 -3.08 118.68 121.89 1spk s LEU 33 Ca -0.04 -0.44 -0.21 0.00 -1.03 0.00 0.00 54.13 52.41 1spk s LEU 33 Cb -0.14 -1.22 -0.02 0.00 0.03 0.00 0.00 46.19 44.83 1spk s LEU 33 CO 0.04 0.26 0.63 -0.89 0.23 0.00 0.00 176.35 176.62 1spk s THR 34 N -0.37 5.02 0.49 5.49 2.01 -0.10 -2.39 115.64 125.80 1spk s THR 34 Ca 0.04 1.20 -0.21 0.00 0.31 0.00 0.00 61.69 63.03 1spk s THR 34 Cb -0.11 -3.95 -0.07 0.00 0.01 0.00 0.00 72.50 68.38 1spk s THR 34 CO 0.01 0.11 1.11 -0.76 -0.69 0.00 0.00 174.62 174.40 1spk s LEU 35 N 1.91 3.89 -0.30 4.42 1.02 -0.66 0.12 118.68 129.07 1spk s LEU 35 Ca 0.29 2.14 0.18 0.00 0.02 0.00 0.00 54.13 56.77 1spk s LEU 35 Cb -0.16 -4.44 0.47 0.00 0.02 0.00 0.00 46.19 42.08 1spk s LEU 35 CO 0.10 -0.95 1.17 0.18 0.02 0.00 0.00 176.35 176.87 1spk n LEU 36 N -0.85 0.65 -3.97 1.79 4.77 -1.25 -4.45 117.00 113.68 1spk n LEU 36 Ca 0.09 -3.29 -0.08 0.00 -0.03 0.00 0.00 56.01 52.70 1spk n LEU 36 Cb 0.50 0.35 -0.08 0.00 -2.33 0.00 0.00 43.42 41.86 1spk n LEU 36 CO 0.43 1.38 -0.18 0.27 -1.33 0.00 0.00 177.39 177.96 1spk s ILE 37 N -2.53 0.15 0.09 -0.08 -4.36 -1.26 -4.92 121.20 108.30 1spk s ILE 37 Ca 0.23 -1.47 -0.12 0.00 -0.26 0.00 0.00 60.65 59.03 1spk s ILE 37 Cb 0.39 -1.53 -0.20 0.00 1.25 0.00 0.00 42.46 42.37 1spk s ILE 37 CO -0.04 -0.68 1.25 1.55 0.24 0.00 0.00 174.94 177.26 1spk h PRO 38 N 2.85 0.70 -3.32 0.37 0.13 -2.01 -3.47 132.00 127.26 1spk h PRO 38 Ca -0.34 -0.68 -0.04 0.00 -0.87 0.00 0.00 66.00 64.07 1spk h PRO 38 Cb 1.19 0.18 -0.13 0.00 0.13 0.00 0.00 31.00 32.36 1spk h PRO 38 CO 0.58 1.27 -0.02 -1.83 -0.23 0.00 0.00 178.00 177.78 1spk s GLU 39 N -3.47 1.12 1.06 0.86 1.03 -1.26 -5.15 118.70 112.88 1spk s GLU 39 Ca -0.09 -0.67 -0.14 0.00 0.03 0.00 0.00 54.97 54.10 1spk s GLU 39 Cb 0.08 0.49 0.15 0.00 -0.80 0.00 0.00 34.13 34.05 1spk s GLU 39 CO 0.91 -0.45 0.60 -0.85 -1.33 0.00 0.00 175.26 174.14 1spk n GLU 40 N -0.26 -1.36 -1.69 -4.83 0.28 -1.26 -4.86 120.64 106.66 1spk n GLU 40 Ca -0.16 -0.36 -0.32 0.00 -0.16 0.00 0.00 57.16 56.16 1spk n GLU 40 Cb 0.64 -2.00 -0.03 0.00 1.43 0.00 0.00 31.44 31.48 1spk n GLU 40 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1spk n LYS 41 N -3.24 2.91 -2.62 3.44 0.00 0.57 -4.65 118.16 114.57 1spk n LYS 41 Ca 0.05 -2.82 -0.17 0.00 0.00 0.00 0.00 58.31 55.37 1spk n LYS 41 Cb 0.56 -2.25 0.01 0.00 0.00 0.00 0.00 35.03 33.35 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 0.69 -4.98 0.00 3.14 9.92 -1.26 -3.47 116.55 120.59 1spk n ASP 42 Ca 0.52 -0.13 0.00 0.00 -0.53 0.00 0.00 54.79 54.64 1spk n ASP 42 Cb 0.44 -3.94 0.00 0.00 -0.64 0.00 0.00 41.12 36.97 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 4.10 3.88 0.44 0.00 -1.26 -5.12 105.19 106.02 1spk n GLY 43 Ca -0.13 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 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 3.47 0.01 1.61 0.52 -1.23 -0.75 118.94 122.57 1spk s TRP 44 Ca 0.00 1.10 -0.02 0.00 0.02 0.00 0.00 56.10 57.19 1spk s TRP 44 Cb 0.00 -2.82 -0.01 0.00 -1.15 0.00 0.00 33.47 29.49 1spk s TRP 44 CO 0.00 -0.85 0.03 -0.51 0.02 0.00 0.00 176.95 175.64 1spk s LEU 45 N -5.19 1.97 0.44 2.99 1.43 0.24 0.21 118.68 120.77 1spk s LEU 45 Ca 0.55 -0.31 0.07 0.00 -1.03 0.00 0.00 54.13 53.42 1spk s LEU 45 Cb -0.11 0.27 -0.02 0.00 0.03 0.00 0.00 46.19 46.37 1spk s LEU 45 CO 0.51 -0.27 0.34 -0.47 0.23 0.00 0.00 176.35 176.70 1spk s TYR 46 N -1.16 2.46 0.00 0.29 5.04 -1.26 -1.66 117.35 121.07 1spk s TYR 46 Ca -0.13 -0.59 0.00 0.00 -2.44 0.00 0.00 57.07 53.92 1spk s TYR 46 Cb -0.08 -2.07 0.00 0.00 0.35 0.00 0.00 41.96 40.16 1spk s TYR 46 CO -0.00 -0.12 0.00 0.41 -1.34 0.00 0.00 175.55 174.49 1spk n GLY 47 N -1.52 -0.78 3.76 8.97 0.00 -1.25 -3.90 105.19 110.48 1spk n GLY 47 Ca 0.02 -1.32 -0.29 0.00 0.00 0.00 0.00 46.02 44.43 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 2.82 0.05 1.61 2.12 0.33 -2.89 118.70 120.74 1spk s GLU 48 Ca 0.00 -0.78 -0.18 0.00 0.36 0.00 0.00 54.97 54.37 1spk s GLU 48 Cb 0.00 -2.66 -0.06 0.00 0.26 0.00 0.00 34.13 31.67 1spk s GLU 48 CO 0.00 0.53 0.52 -1.58 -0.54 0.00 0.00 175.26 174.20 1spk s HIS 49 N -1.50 3.78 -0.22 5.30 5.65 -0.02 -0.92 115.29 127.36 1spk s HIS 49 Ca 0.29 1.20 -0.04 0.00 0.25 0.00 0.00 55.06 56.76 1spk s HIS 49 Cb -0.11 -2.44 -0.05 0.00 -1.18 0.00 0.00 32.58 28.80 1spk s HIS 49 CO 0.22 0.60 2.91 -3.47 -0.65 0.00 0.00 174.74 174.35 1spk n ASP 50 N 1.77 5.90 0.00 9.88 2.03 -1.18 -2.66 116.55 132.29 1spk n ASP 50 Ca -0.11 -2.84 0.00 0.00 0.52 0.00 0.00 54.79 52.36 1spk n ASP 50 Cb 0.51 -1.27 0.00 0.00 -0.72 0.00 0.00 41.12 39.64 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 1.47 0.00 0.33 5.18 -1.04 -1.26 -4.92 114.28 114.04 1spk n THR 51 Ca 0.39 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.55 1spk n THR 51 Cb 0.69 0.00 0.63 0.00 -1.82 0.00 0.00 70.33 69.83 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 -1.95 -3.45 112.91 121.44 1spk h THR 52 Ca 0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1spk h THR 52 Cb 0.00 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 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 -2.72 -0.47 -3.67 4.72 4.76 -1.09 -4.98 118.16 114.71 1spk n LYS 53 Ca 0.01 0.12 -0.29 0.00 -2.87 0.00 0.00 58.31 55.28 1spk n LYS 53 Cb 0.26 -3.58 -0.04 0.00 -1.84 0.00 0.00 35.03 29.83 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 -2.09 3.81 -0.10 7.82 0.00 -1.26 -4.68 121.76 125.26 1spk s ALA 54 Ca 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 51.96 51.21 1spk s ALA 54 Cb 0.00 -2.04 -0.03 0.00 0.00 0.00 0.00 23.12 21.05 1spk s ALA 54 CO 0.00 0.50 -0.06 1.03 0.00 0.00 0.00 175.76 177.23 1spk s ARG 55 N -3.14 3.06 0.02 0.00 0.52 -1.26 -0.84 118.95 117.30 1spk s ARG 55 Ca 0.39 -0.53 0.00 0.00 -0.52 0.00 0.00 55.73 55.07 1spk s ARG 55 Cb -0.11 -2.70 -0.00 0.00 0.52 0.00 0.00 34.95 32.65 1spk s ARG 55 CO 0.28 0.53 0.01 0.41 0.02 0.00 0.00 175.30 176.55 1spk n GLY 56 N 2.63 4.04 3.49 -3.53 0.00 -1.14 -4.98 105.19 105.70 1spk n GLY 56 Ca -0.18 -1.84 -0.33 0.00 0.00 0.00 0.00 46.02 43.67 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 -3.78 118.94 118.93 1spk s TRP 57 Ca 0.01 -0.27 -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 0.01 0.07 0.06 -0.59 0.02 0.00 0.00 176.95 176.52 1spk s PHE 58 N -0.18 0.18 -0.07 -1.98 -0.12 -0.66 -3.34 117.98 111.81 1spk s PHE 58 Ca 0.02 -0.42 -0.30 0.00 -0.05 0.00 0.00 56.93 56.18 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 -0.28 1.23 -1.25 -0.05 0.00 0.00 175.22 174.90 1spk s PRO 59 N -1.89 4.33 0.61 1.99 0.04 -1.26 0.81 135.00 139.63 1spk s PRO 59 Ca -0.11 1.70 0.28 0.00 0.04 0.00 0.00 61.00 62.90 1spk s PRO 59 Cb -0.06 -3.59 1.40 0.00 0.04 0.00 0.00 34.50 32.29 1spk s PRO 59 CO -0.02 -0.50 1.81 0.66 0.04 0.00 0.00 177.00 178.99 1spk h SER 60 N 7.62 0.00 0.73 6.66 4.64 -1.21 1.52 113.55 133.51 1spk h SER 60 Ca -0.33 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.91 1spk h SER 60 Cb 1.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1spk h SER 60 CO 0.90 0.00 -0.35 -1.28 -0.87 0.00 0.00 176.83 175.22 1spk h SER 61 N 0.00 0.00 -0.41 4.97 0.87 -1.90 -2.21 113.55 114.87 1spk h SER 61 Ca 0.19 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1spk h SER 61 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1spk h SER 61 CO -0.00 0.35 0.00 -1.22 -0.53 0.00 0.00 176.83 175.43 1spk n TYR 62 N -3.62 0.56 -3.88 2.24 4.02 0.52 -4.86 117.16 112.13 1spk n TYR 62 Ca -0.01 -0.28 -0.10 0.00 -0.01 0.00 0.00 57.90 57.50 1spk n TYR 62 Cb 0.47 -0.01 -0.09 0.00 -0.02 0.00 0.00 39.34 39.69 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 -1.46 0.10 0.07 -0.72 -4.23 -0.83 -3.05 115.64 105.51 1spk s THR 63 Ca 0.27 -0.86 0.04 0.00 -1.18 0.00 0.00 61.69 59.97 1spk s THR 63 Cb 0.14 -0.70 -0.03 0.00 1.34 0.00 0.00 72.50 73.26 1spk s THR 63 CO 0.18 -0.47 -0.12 -0.54 -0.54 0.00 0.00 174.62 173.13 1spk s LYS 64 N -2.05 0.75 -0.01 3.99 1.02 0.12 -4.82 119.74 118.73 1spk s LYS 64 Ca -0.09 -0.93 -0.30 0.00 0.02 0.00 0.00 55.97 54.66 1spk s LYS 64 Cb -0.04 -0.64 -0.03 0.00 -0.52 0.00 0.00 37.83 36.59 1spk s LYS 64 CO -0.02 0.13 1.04 -0.51 -0.92 0.00 0.00 175.35 175.07 1spk s LEU 65 N -1.80 4.35 1.14 3.17 1.43 -1.26 0.18 118.68 125.88 1spk s LEU 65 Ca -0.03 1.71 -0.14 0.00 -1.03 0.00 0.00 54.13 54.64 1spk s LEU 65 Cb -0.09 -3.57 0.26 0.00 0.03 0.00 0.00 46.19 42.82 1spk s LEU 65 CO 0.01 -0.34 1.05 -0.76 0.23 0.00 0.00 176.35 176.54 1spk s LEU 66 N 1.23 0.86 -0.51 1.79 1.43 -0.98 -4.91 118.68 117.59 1spk s LEU 66 Ca 0.53 1.23 0.03 0.00 -1.03 0.00 0.00 54.13 54.90 1spk s LEU 66 Cb -0.22 -3.17 0.14 0.00 0.03 0.00 0.00 46.19 42.97 1spk s LEU 66 CO 0.26 -3.95 0.29 -0.44 0.23 0.00 0.00 176.35 172.74 1spk s SER 67 N -3.03 4.03 0.81 2.29 0.01 -1.26 -5.01 113.70 111.53 1spk s SER 67 Ca 0.68 -2.99 -0.11 0.00 1.31 0.00 0.00 55.95 54.83 1spk s SER 67 Cb -0.21 -1.37 0.08 0.00 0.21 0.00 0.00 66.02 64.73 1spk s SER 67 CO 0.61 -0.22 1.09 -0.83 0.41 0.00 0.00 173.24 174.30 1spk s GLY 68 N -0.20 1.63 -0.25 3.44 0.00 -1.26 -4.97 107.32 105.71 1spk s GLY 68 Ca 0.19 -0.10 -0.29 0.00 0.00 0.00 0.00 44.72 44.52 1spk s GLY 68 CO -0.03 0.32 1.32 2.56 0.00 0.00 0.00 173.10 177.27 1spk s PRO 69 N -5.07 4.01 0.15 2.90 0.04 -1.26 -5.01 135.00 130.76 1spk s PRO 69 Ca 0.61 1.43 -0.12 0.00 0.04 0.00 0.00 61.00 62.95 1spk s PRO 69 Cb -0.15 -3.86 -0.07 0.00 0.04 0.00 0.00 34.50 30.46 1spk s PRO 69 CO 0.55 -1.00 0.52 0.45 0.04 0.00 0.00 177.00 177.56 1spk s SER 70 N 2.66 6.74 -0.26 6.66 0.15 -1.26 -5.07 113.70 123.32 1spk s SER 70 Ca 0.57 0.98 -0.27 0.00 0.70 0.00 0.00 55.95 57.93 1spk s SER 70 Cb -0.19 -2.25 0.16 0.00 -1.71 0.00 0.00 66.02 62.03 1spk s SER 70 CO 0.21 0.08 1.23 -0.55 1.20 0.00 0.00 173.24 175.41 1spk s SER 71 N -1.87 -0.20 0.00 5.45 0.15 -1.26 -5.33 113.70 110.64 1spk s SER 71 Ca 0.39 0.30 0.00 0.00 0.70 0.00 0.00 55.95 57.34 1spk s SER 71 Cb -0.14 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 1spk s SER 71 CO 0.19 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.12