#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 5.78 -0.04 1.61 1.04 -1.26 -5.09 113.70 115.73 1spk s SER 2 Ca 0.00 0.16 0.02 0.00 0.48 0.00 0.00 55.95 56.61 1spk s SER 2 Cb 0.00 -1.96 -0.03 0.00 0.10 0.00 0.00 66.02 64.13 1spk s SER 2 CO 0.00 0.22 -0.08 -0.55 0.98 0.00 0.00 173.24 173.81 1spk s SER 3 N 0.10 4.56 -0.44 7.02 0.15 -1.26 -5.04 113.70 118.80 1spk s SER 3 Ca 0.06 -0.08 0.08 0.00 0.70 0.00 0.00 55.95 56.71 1spk s SER 3 Cb -0.12 -1.10 0.32 0.00 -1.71 0.00 0.00 66.02 63.41 1spk s SER 3 CO 0.00 0.34 1.00 0.61 1.20 0.00 0.00 173.24 176.40 1spk n GLY 4 N 2.04 1.37 2.83 9.45 0.00 -1.26 -5.02 105.19 114.61 1spk n GLY 4 Ca -0.17 -0.43 -0.04 0.00 0.00 0.00 0.00 46.02 45.38 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 0.40 -7.48 -3.28 1.61 7.64 -1.26 -5.05 113.62 106.20 1spk n SER 5 Ca 0.11 0.27 -0.01 0.00 1.01 0.00 0.00 58.87 60.25 1spk n SER 5 Cb 0.69 -5.06 -0.04 0.00 -1.01 0.00 0.00 64.21 58.79 1spk n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1spk s SER 6 N -2.67 -0.89 0.00 6.43 0.15 -1.26 -4.98 113.70 110.48 1spk s SER 6 Ca 0.14 0.79 0.00 0.00 0.70 0.00 0.00 55.95 57.58 1spk s SER 6 Cb -0.04 1.87 0.00 0.00 -1.71 0.00 0.00 66.02 66.14 1spk s SER 6 CO 0.71 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.49 1spk n GLY 7 N 5.41 0.68 3.11 9.45 0.00 -1.26 -5.04 105.19 117.54 1spk n GLY 7 Ca -0.03 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.54 -4.91 1.61 3.00 -1.26 -4.08 117.38 111.20 1spk n GLN 8 Ca 0.00 -0.15 -0.31 0.00 -0.01 0.00 0.00 57.00 56.53 1spk n GLN 8 Cb 0.00 -1.26 -0.14 0.00 0.00 0.00 0.00 30.24 28.84 1spk n GLN 8 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1spk s LYS 9 N -2.54 1.99 0.12 -1.09 1.02 -1.26 -1.35 119.74 116.64 1spk s LYS 9 Ca 0.44 -1.01 0.06 0.00 0.02 0.00 0.00 55.97 55.48 1spk s LYS 9 Cb -0.00 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 35.19 1spk s LYS 9 CO 0.68 0.54 -0.14 0.14 -0.92 0.00 0.00 175.35 175.65 1spk s VAL 10 N -0.80 1.31 -0.08 3.17 -7.23 -1.04 -2.00 120.40 113.74 1spk s VAL 10 Ca 0.12 -1.72 0.05 0.00 -1.81 0.00 0.00 61.98 58.61 1spk s VAL 10 Cb -0.10 -1.53 -0.00 0.00 0.56 0.00 0.00 36.38 35.30 1spk s VAL 10 CO 0.02 -0.43 -0.23 -0.75 -0.31 0.00 0.00 175.10 173.40 1spk s LYS 11 N -2.71 2.62 0.26 4.82 2.20 0.28 -2.58 119.74 124.63 1spk s LYS 11 Ca 0.09 -0.82 -0.30 0.00 -0.36 0.00 0.00 55.97 54.58 1spk s LYS 11 Cb -0.05 -2.09 -0.09 0.00 -1.51 0.00 0.00 37.83 34.09 1spk s LYS 11 CO 0.03 0.25 1.07 0.95 -0.36 0.00 0.00 175.35 177.29 1spk s THR 12 N 0.14 3.64 -0.42 3.43 -4.23 -1.11 -0.05 115.64 117.05 1spk s THR 12 Ca -0.11 1.61 0.13 0.00 -1.18 0.00 0.00 61.69 62.14 1spk s THR 12 Cb -0.16 -4.03 -0.17 0.00 1.34 0.00 0.00 72.50 69.49 1spk s THR 12 CO 0.06 0.37 0.47 2.30 -0.54 0.00 0.00 174.62 177.28 1spk n ILE 13 N 1.42 0.00 -3.84 2.99 -5.35 -0.52 -1.84 119.36 112.22 1spk n ILE 13 Ca -0.01 -0.23 -0.12 0.00 -0.27 0.00 0.00 62.75 62.12 1spk n ILE 13 Cb 0.45 0.72 -0.10 0.00 -1.74 0.00 0.00 39.64 38.98 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 -2.48 -0.03 0.42 4.28 0.08 -1.25 -4.91 117.98 114.09 1spk s PHE 14 Ca 0.02 0.02 -0.23 0.00 0.12 0.00 0.00 56.93 56.85 1spk s PHE 14 Cb 0.10 -0.00 -0.09 0.00 -0.57 0.00 0.00 43.02 42.45 1spk s PHE 14 CO 0.55 -0.29 1.05 -1.25 -0.10 0.00 0.00 175.22 175.18 1spk s PRO 15 N -1.24 4.07 -0.50 0.24 0.04 -1.26 -4.40 135.00 131.95 1spk s PRO 15 Ca -0.13 1.49 0.06 0.00 0.04 0.00 0.00 61.00 62.46 1spk s PRO 15 Cb -0.07 -2.43 0.19 0.00 0.04 0.00 0.00 34.50 32.23 1spk s PRO 15 CO 0.02 -0.22 0.65 -1.58 0.04 0.00 0.00 177.00 175.91 1spk s HIS 16 N -1.73 -1.09 0.19 0.56 2.46 -1.25 -4.97 115.29 109.46 1spk s HIS 16 Ca 0.60 -0.91 -0.22 0.00 0.47 0.00 0.00 55.06 55.00 1spk s HIS 16 Cb -0.21 0.08 -0.08 0.00 -0.13 0.00 0.00 32.58 32.24 1spk s HIS 16 CO 0.26 -1.19 0.73 0.99 -2.47 0.00 0.00 174.74 173.06 1spk s THR 17 N 0.71 4.51 -0.01 0.89 2.01 -1.26 -3.97 115.64 118.52 1spk s THR 17 Ca 0.31 1.43 -0.20 0.00 0.31 0.00 0.00 61.69 63.53 1spk s THR 17 Cb 0.01 -3.96 -0.11 0.00 0.01 0.00 0.00 72.50 68.44 1spk s THR 17 CO -0.08 0.35 0.87 0.00 -0.69 0.00 0.00 174.62 175.07 1spk h ALA 18 N 3.83 -0.76 0.00 7.40 0.00 -1.83 -3.47 119.26 124.43 1spk h ALA 18 Ca -0.48 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1spk h ALA 18 Cb 1.20 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1spk h ALA 18 CO 0.65 -0.71 0.00 0.41 0.00 0.00 0.00 179.25 179.61 1spk n GLY 19 N -0.14 2.32 1.61 0.00 0.00 -1.26 -4.21 105.19 103.51 1spk n GLY 19 Ca -0.09 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 2.85 0.24 -4.26 1.61 4.13 -1.26 -5.09 115.26 113.49 1spk n ASN 20 Ca 0.00 0.26 -0.35 0.00 1.68 0.00 0.00 54.58 56.17 1spk n ASN 20 Cb 0.00 0.09 0.07 0.00 -1.54 0.00 0.00 39.78 38.40 1spk n ASN 20 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1spk n ASN 21 N -3.28 -3.52 0.00 6.41 4.13 -1.26 -4.92 115.26 112.82 1spk n ASN 21 Ca 0.00 0.35 0.00 0.00 1.68 0.00 0.00 54.58 56.61 1spk n ASN 21 Cb 0.05 -1.01 0.00 0.00 -1.54 0.00 0.00 39.78 37.28 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 0.30 -0.61 0.00 3.52 5.02 -1.26 -4.57 118.16 120.56 1spk n LYS 22 Ca 0.04 -0.49 0.13 0.00 -2.02 0.00 0.00 58.31 55.98 1spk n LYS 22 Cb 0.53 -0.92 0.40 0.00 -0.02 0.00 0.00 35.03 35.02 1spk n LYS 22 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1spk n THR 23 N -0.03 0.00 -5.08 -0.18 -2.24 -1.26 -4.83 114.28 100.66 1spk n THR 23 Ca 0.00 -0.30 -0.32 0.00 -2.27 0.00 0.00 64.05 61.16 1spk n THR 23 Cb 0.06 0.75 -0.16 0.00 -2.10 0.00 0.00 70.33 68.88 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 -2.05 2.33 -0.33 3.22 1.43 -1.26 -2.86 118.68 119.15 1spk s LEU 24 Ca 0.34 -0.43 -0.29 0.00 -1.03 0.00 0.00 54.13 52.72 1spk s LEU 24 Cb 0.21 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.97 1spk s LEU 24 CO 0.35 0.22 1.18 -0.22 0.23 0.00 0.00 176.35 178.11 1spk s LEU 25 N 0.02 3.87 -0.19 1.79 2.96 -1.06 -4.59 118.68 121.47 1spk s LEU 25 Ca -0.07 1.04 -0.27 0.00 -0.22 0.00 0.00 54.13 54.60 1spk s LEU 25 Cb -0.15 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 42.99 1spk s LEU 25 CO 0.05 -1.02 0.94 -0.94 -1.32 0.00 0.00 176.35 174.07 1spk s SER 26 N 2.25 7.05 0.37 3.68 1.04 -1.26 -4.67 113.70 122.16 1spk s SER 26 Ca 0.50 1.30 -0.10 0.00 0.48 0.00 0.00 55.95 58.14 1spk s SER 26 Cb -0.13 -2.50 0.03 0.00 0.10 0.00 0.00 66.02 63.52 1spk s SER 26 CO 0.21 -0.53 0.65 0.72 0.98 0.00 0.00 173.24 175.28 1spk s PHE 27 N 2.61 0.54 -0.01 5.02 -0.12 -1.25 -4.96 117.98 119.81 1spk s PHE 27 Ca 0.42 -1.02 0.08 0.00 -0.05 0.00 0.00 56.93 56.35 1spk s PHE 27 Cb -0.16 0.44 -0.02 0.00 -0.63 0.00 0.00 43.02 42.64 1spk s PHE 27 CO 0.10 -1.39 -0.24 0.00 -0.05 0.00 0.00 175.22 173.65 1spk s ALA 28 N -2.62 2.01 0.15 1.99 0.00 -1.26 -3.88 121.76 118.15 1spk s ALA 28 Ca 0.22 -1.06 -0.32 0.00 0.00 0.00 0.00 51.96 50.80 1spk s ALA 28 Cb -0.03 -0.49 -0.17 0.00 0.00 0.00 0.00 23.12 22.42 1spk s ALA 28 CO 0.15 0.49 0.83 0.94 0.00 0.00 0.00 175.76 178.18 1spk n GLN 29 N 2.37 0.34 0.00 0.00 7.27 -1.26 -1.08 117.38 125.02 1spk n GLN 29 Ca -0.16 0.12 0.00 0.00 0.07 0.00 0.00 57.00 57.03 1spk n GLN 29 Cb 0.52 -1.38 0.00 0.00 2.41 0.00 0.00 30.24 31.79 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 1.81 2.82 3.49 1.69 0.00 -0.77 -4.99 105.19 109.24 1spk n GLY 30 Ca 0.17 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 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 0.41 -0.77 -4.48 1.61 8.00 -0.24 -4.48 116.55 116.60 1spk n ASP 31 Ca 0.00 0.75 -0.33 0.00 0.71 0.00 0.00 54.79 55.91 1spk n ASP 31 Cb 0.00 -1.20 -0.13 0.00 -0.02 0.00 0.00 41.12 39.77 1spk n ASP 31 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1spk s VAL 32 N -1.69 3.47 0.01 2.53 1.01 -1.26 -2.75 120.40 121.73 1spk s VAL 32 Ca 0.70 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 62.22 1spk s VAL 32 Cb -0.44 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 1spk s VAL 32 CO 0.53 0.54 -0.23 -0.76 0.00 0.00 0.00 175.10 175.18 1spk s LEU 33 N -0.10 2.10 -0.22 3.92 1.43 -1.06 -3.26 118.68 121.49 1spk s LEU 33 Ca 0.00 -0.48 -0.16 0.00 -1.03 0.00 0.00 54.13 52.46 1spk s LEU 33 Cb -0.13 -1.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.88 1spk s LEU 33 CO 0.03 0.25 0.41 -0.89 0.23 0.00 0.00 176.35 176.39 1spk s THR 34 N -0.66 5.17 0.40 5.49 2.01 0.43 -2.50 115.64 125.99 1spk s THR 34 Ca 0.09 0.72 -0.25 0.00 0.31 0.00 0.00 61.69 62.56 1spk s THR 34 Cb -0.09 -3.74 -0.09 0.00 0.01 0.00 0.00 72.50 68.59 1spk s THR 34 CO 0.00 0.21 1.12 -0.76 -0.69 0.00 0.00 174.62 174.51 1spk s LEU 35 N 1.58 4.18 -0.06 4.42 1.02 -0.45 0.19 118.68 129.55 1spk s LEU 35 Ca 0.19 2.23 -0.04 0.00 0.02 0.00 0.00 54.13 56.53 1spk s LEU 35 Cb -0.15 -4.08 -0.03 0.00 0.02 0.00 0.00 46.19 41.95 1spk s LEU 35 CO 0.09 -0.60 -0.09 0.18 0.02 0.00 0.00 176.35 175.94 1spk n LEU 36 N 0.03 0.53 -4.79 1.79 4.77 -1.24 -4.20 117.00 113.90 1spk n LEU 36 Ca 0.05 0.09 -0.37 0.00 -0.03 0.00 0.00 56.01 55.75 1spk n LEU 36 Cb 0.48 -0.22 -0.07 0.00 -2.33 0.00 0.00 43.42 41.28 1spk n LEU 36 CO 0.48 0.10 -0.06 0.27 -1.33 0.00 0.00 177.39 176.85 1spk s ILE 37 N -2.13 5.33 -1.12 -0.08 -4.36 -1.26 -4.84 121.20 112.73 1spk s ILE 37 Ca -0.10 0.45 0.22 0.00 -0.26 0.00 0.00 60.65 60.97 1spk s ILE 37 Cb 0.04 -3.56 0.24 0.00 1.25 0.00 0.00 42.46 40.43 1spk s ILE 37 CO 0.12 0.49 1.71 -0.81 0.24 0.00 0.00 174.94 176.70 1spk n PRO 38 N 2.85 0.09 -3.07 0.37 -0.04 -1.26 -4.77 135.00 129.17 1spk n PRO 38 Ca -0.15 0.11 -0.18 0.00 -0.04 0.00 0.00 63.50 63.24 1spk n PRO 38 Cb 0.53 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.50 1spk n PRO 38 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1spk s GLU 39 N -2.88 2.71 0.10 0.54 2.56 -1.26 -5.13 118.70 115.33 1spk s GLU 39 Ca 0.14 -1.35 0.08 0.00 0.00 0.00 0.00 54.97 53.84 1spk s GLU 39 Cb 0.15 -2.70 -0.03 0.00 2.00 0.00 0.00 34.13 33.54 1spk s GLU 39 CO 0.38 -0.37 -0.22 -1.83 -0.56 0.00 0.00 175.26 172.67 1spk s GLU 40 N -4.39 1.21 -1.38 4.30 1.03 -1.26 -4.64 118.70 113.57 1spk s GLU 40 Ca 0.55 -1.15 -0.12 0.00 0.03 0.00 0.00 54.97 54.28 1spk s GLU 40 Cb -0.09 -1.48 0.09 0.00 -0.80 0.00 0.00 34.13 31.86 1spk s GLU 40 CO 0.33 0.35 2.05 1.17 -1.33 0.00 0.00 175.26 177.84 1spk n LYS 41 N 1.20 3.18 -3.39 -4.83 3.00 0.53 -4.31 118.16 113.54 1spk n LYS 41 Ca -0.19 -3.02 -0.23 0.00 -0.00 0.00 0.00 58.31 54.87 1spk n LYS 41 Cb 0.53 -3.15 0.06 0.00 0.00 0.00 0.00 35.03 32.48 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 5.30 -6.22 0.00 3.14 8.00 -1.26 -2.65 116.55 122.86 1spk n ASP 42 Ca 0.47 -0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.52 1spk n ASP 42 Cb 0.38 -4.91 0.00 0.00 -0.02 0.00 0.00 41.12 36.57 1spk n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1spk n GLY 43 N -1.83 3.40 3.75 0.44 0.00 -1.26 -5.08 105.19 104.61 1spk n GLY 43 Ca -0.03 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.01 2.38 0.10 1.61 0.52 -1.08 -3.25 118.94 119.21 1spk s TRP 44 Ca 0.00 1.51 0.08 0.00 0.02 0.00 0.00 56.10 57.71 1spk s TRP 44 Cb 0.00 -3.49 -0.03 0.00 -1.15 0.00 0.00 33.47 28.80 1spk s TRP 44 CO 0.00 -2.23 -0.20 -0.51 0.02 0.00 0.00 176.95 174.03 1spk s LEU 45 N -4.08 2.30 0.31 2.99 1.43 0.23 0.20 118.68 122.05 1spk s LEU 45 Ca 0.78 -0.67 0.08 0.00 -1.03 0.00 0.00 54.13 53.28 1spk s LEU 45 Cb -0.30 -0.82 -0.03 0.00 0.03 0.00 0.00 46.19 45.06 1spk s LEU 45 CO 0.33 0.04 0.24 -0.47 0.23 0.00 0.00 176.35 176.72 1spk s TYR 46 N -1.18 2.93 -0.96 0.29 5.04 -1.26 -1.89 117.35 120.33 1spk s TYR 46 Ca 0.05 -0.25 0.00 0.00 -2.44 0.00 0.00 57.07 54.43 1spk s TYR 46 Cb -0.10 -1.64 0.00 0.00 0.35 0.00 0.00 41.96 40.57 1spk s TYR 46 CO 0.04 0.31 0.00 0.41 -1.34 0.00 0.00 175.55 174.97 1spk n GLY 47 N -1.28 -1.41 3.66 8.97 0.00 -1.25 -3.62 105.19 110.26 1spk n GLY 47 Ca -0.04 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.74 2.59 0.01 1.61 2.12 0.50 -3.29 118.70 120.50 1spk s GLU 48 Ca 0.00 -0.76 -0.19 0.00 0.36 0.00 0.00 54.97 54.38 1spk s GLU 48 Cb 0.00 -2.56 -0.06 0.00 0.26 0.00 0.00 34.13 31.78 1spk s GLU 48 CO 0.00 0.58 0.56 -1.58 -0.54 0.00 0.00 175.26 174.28 1spk s HIS 49 N -1.17 3.71 -0.32 5.30 5.65 -0.77 -0.42 115.29 127.27 1spk s HIS 49 Ca 0.22 1.18 -0.03 0.00 0.25 0.00 0.00 55.06 56.67 1spk s HIS 49 Cb -0.11 -2.54 0.08 0.00 -1.18 0.00 0.00 32.58 28.83 1spk s HIS 49 CO 0.13 0.43 2.52 -3.47 -0.65 0.00 0.00 174.74 173.71 1spk n ASP 50 N 2.42 6.27 0.00 9.88 -0.08 -1.20 -2.66 116.55 131.17 1spk n ASP 50 Ca -0.09 -3.02 0.00 0.00 -1.51 0.00 0.00 54.79 50.17 1spk n ASP 50 Cb 0.51 -1.18 0.00 0.00 2.34 0.00 0.00 41.12 42.79 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 0.88 0.00 0.27 5.18 -1.04 -1.26 -4.91 114.28 113.40 1spk n THR 51 Ca 0.38 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.54 1spk n THR 51 Cb 0.60 0.00 0.45 0.00 -1.82 0.00 0.00 70.33 69.56 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 -1.96 -3.46 112.91 121.42 1spk h THR 52 Ca 0.00 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1spk h THR 52 Cb 0.00 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 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 -3.04 -0.10 -3.76 4.72 4.76 -1.09 -4.99 118.16 114.67 1spk n LYS 53 Ca 0.02 0.02 -0.31 0.00 -2.87 0.00 0.00 58.31 55.18 1spk n LYS 53 Cb 0.40 -3.07 -0.04 0.00 -1.84 0.00 0.00 35.03 30.48 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 -2.97 3.87 -0.09 7.82 0.00 -1.26 -4.72 121.76 124.41 1spk s ALA 54 Ca 0.00 -0.68 -0.00 0.00 0.00 0.00 0.00 51.96 51.28 1spk s ALA 54 Cb 0.00 -2.01 -0.03 0.00 0.00 0.00 0.00 23.12 21.08 1spk s ALA 54 CO 0.00 0.70 -0.07 1.03 0.00 0.00 0.00 175.76 177.42 1spk s ARG 55 N -2.67 3.00 0.00 0.00 0.52 -1.26 -1.84 118.95 116.69 1spk s ARG 55 Ca 0.39 -0.57 0.00 0.00 -0.52 0.00 0.00 55.73 55.03 1spk s ARG 55 Cb -0.12 -2.65 0.00 0.00 0.52 0.00 0.00 34.95 32.70 1spk s ARG 55 CO 0.26 0.52 0.00 0.41 0.02 0.00 0.00 175.30 176.52 1spk n GLY 56 N 2.65 5.29 3.48 -3.53 0.00 -1.21 -4.97 105.19 106.91 1spk n GLY 56 Ca -0.18 -1.70 -0.33 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.86 2.88 0.02 1.61 0.52 -1.13 -3.82 118.94 118.15 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 -1.79 -0.01 0.00 -1.15 0.00 0.00 33.47 30.52 1spk s TRP 57 CO 0.00 0.07 0.06 -0.59 0.02 0.00 0.00 176.95 176.51 1spk s PHE 58 N -0.20 0.18 -0.30 -1.98 -0.12 -0.79 -2.57 117.98 112.20 1spk s PHE 58 Ca 0.02 -0.40 -0.29 0.00 -0.05 0.00 0.00 56.93 56.20 1spk s PHE 58 Cb -0.13 -0.14 -0.00 0.00 -0.63 0.00 0.00 43.02 42.12 1spk s PHE 58 CO 0.03 -0.27 1.35 -1.25 -0.05 0.00 0.00 175.22 175.03 1spk s PRO 59 N -1.79 3.87 0.63 1.99 0.04 -1.26 0.76 135.00 139.24 1spk s PRO 59 Ca -0.12 1.27 0.25 0.00 0.04 0.00 0.00 61.00 62.44 1spk s PRO 59 Cb -0.06 -3.91 1.26 0.00 0.04 0.00 0.00 34.50 31.83 1spk s PRO 59 CO -0.01 -1.18 1.71 1.03 0.04 0.00 0.00 177.00 178.58 1spk h SER 60 N 9.60 0.00 0.34 6.66 0.87 -1.84 1.49 113.55 130.68 1spk h SER 60 Ca -0.27 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.17 1spk h SER 60 Cb 1.11 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.05 1spk h SER 60 CO 1.03 0.00 -0.50 0.28 -0.53 0.00 0.00 176.83 177.11 1spk h SER 61 N 0.00 0.20 0.59 6.23 0.02 -1.89 -2.32 113.55 116.38 1spk h SER 61 Ca 0.14 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1spk h SER 61 Cb 1.33 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1spk h SER 61 CO -0.00 0.67 -0.05 -1.22 -1.14 0.00 0.00 176.83 175.09 1spk n TYR 62 N -3.95 0.00 -4.34 3.45 4.02 0.51 -4.81 117.16 112.04 1spk n TYR 62 Ca -0.02 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.65 1spk n TYR 62 Cb 0.54 -0.29 -0.11 0.00 -0.02 0.00 0.00 39.34 39.45 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 -2.64 1.87 0.15 -0.72 -4.23 -0.87 -1.43 115.64 107.76 1spk s THR 63 Ca 0.25 -1.87 0.04 0.00 -1.18 0.00 0.00 61.69 58.93 1spk s THR 63 Cb 0.20 -1.83 -0.04 0.00 1.34 0.00 0.00 72.50 72.16 1spk s THR 63 CO 0.49 -0.25 -0.08 -1.59 -0.54 0.00 0.00 174.62 172.64 1spk s LYS 64 N -2.64 1.07 0.12 3.99 -2.85 0.93 -4.83 119.74 115.52 1spk s LYS 64 Ca 0.15 -1.47 -0.30 0.00 -1.00 0.00 0.00 55.97 53.35 1spk s LYS 64 Cb -0.07 -0.56 -0.06 0.00 -2.06 0.00 0.00 37.83 35.08 1spk s LYS 64 CO 0.07 0.04 1.04 -0.51 0.10 0.00 0.00 175.35 176.09 1spk s LEU 65 N -3.17 4.47 1.12 2.77 1.43 -1.26 1.00 118.68 125.03 1spk s LEU 65 Ca 0.18 1.92 -0.12 0.00 -1.03 0.00 0.00 54.13 55.07 1spk s LEU 65 Cb 0.03 -3.59 0.26 0.00 0.03 0.00 0.00 46.19 42.92 1spk s LEU 65 CO 0.01 -0.19 1.05 -0.76 0.23 0.00 0.00 176.35 176.69 1spk s LEU 66 N 0.09 1.19 -0.35 1.79 1.43 -0.85 -4.79 118.68 117.19 1spk s LEU 66 Ca 0.50 1.64 0.00 0.00 -1.03 0.00 0.00 54.13 55.24 1spk s LEU 66 Cb -0.26 -3.63 0.14 0.00 0.03 0.00 0.00 46.19 42.47 1spk s LEU 66 CO 0.31 -4.02 0.22 -0.94 0.23 0.00 0.00 176.35 172.16 1spk s SER 67 N -2.55 2.82 0.44 2.29 1.04 -1.26 -5.05 113.70 111.43 1spk s SER 67 Ca 0.68 -2.22 -0.11 0.00 0.48 0.00 0.00 55.95 54.78 1spk s SER 67 Cb -0.25 -0.37 -0.06 0.00 0.10 0.00 0.00 66.02 65.44 1spk s SER 67 CO 0.63 -0.30 0.82 -0.83 0.98 0.00 0.00 173.24 174.54 1spk s GLY 68 N 1.03 1.90 0.76 7.32 0.00 -1.26 -5.07 107.32 112.00 1spk s GLY 68 Ca 0.19 -0.17 -0.11 0.00 0.00 0.00 0.00 44.72 44.63 1spk s GLY 68 CO -0.00 0.04 1.08 2.56 0.00 0.00 0.00 173.10 176.78 1spk s PRO 69 N -4.05 2.36 0.08 2.90 0.04 -1.26 -4.49 135.00 130.58 1spk s PRO 69 Ca 0.52 0.74 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1spk s PRO 69 Cb -0.10 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1spk s PRO 69 CO 0.34 -1.45 0.00 0.43 0.04 0.00 0.00 177.00 176.35 1spk n SER 70 N -3.34 -9.48 -2.88 6.66 7.64 -1.26 -4.79 113.62 106.17 1spk n SER 70 Ca 0.07 1.73 -0.02 0.00 1.01 0.00 0.00 58.87 61.66 1spk n SER 70 Cb 0.55 -5.21 -0.02 0.00 -1.01 0.00 0.00 64.21 58.52 1spk n SER 70 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1spk n SER 71 N 1.87 -4.86 0.00 6.43 7.64 -1.26 -5.24 113.62 118.20 1spk n SER 71 Ca 0.00 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.97 1spk n SER 71 Cb 0.00 -3.32 0.00 0.00 -1.01 0.00 0.00 64.21 59.88 1spk n SER 71 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64