#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1spk n SER 2 N 0.00 0.86 -4.61 1.61 7.64 -1.26 -5.00 113.62 112.86 1spk n SER 2 Ca 0.00 0.15 -0.35 0.00 1.01 0.00 0.00 58.87 59.68 1spk n SER 2 Cb 0.00 -0.23 -0.10 0.00 -1.01 0.00 0.00 64.21 62.87 1spk n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1spk s SER 3 N -5.78 5.52 0.00 6.43 0.01 -1.26 -4.98 113.70 113.64 1spk s SER 3 Ca 0.00 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.30 1spk s SER 3 Cb 0.00 -1.95 0.00 0.00 0.21 0.00 0.00 66.02 64.28 1spk s SER 3 CO 0.00 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.42 1spk n GLY 4 N 3.65 -1.75 3.25 3.44 0.00 -1.26 -4.84 105.19 107.68 1spk n GLY 4 Ca -0.17 -1.95 -0.40 0.00 0.00 0.00 0.00 46.02 43.50 1spk n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1spk s SER 5 N -4.00 5.64 0.21 1.61 0.01 -1.26 -5.06 113.70 110.84 1spk s SER 5 Ca 0.00 -1.62 0.10 0.00 1.31 0.00 0.00 55.95 55.74 1spk s SER 5 Cb 0.00 -1.99 -0.05 0.00 0.21 0.00 0.00 66.02 64.20 1spk s SER 5 CO 0.00 -0.58 -0.20 -0.44 0.41 0.00 0.00 173.24 172.44 1spk s SER 6 N 2.24 3.08 0.00 2.44 0.01 -1.26 -4.85 113.70 115.36 1spk s SER 6 Ca 0.04 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.37 1spk s SER 6 Cb -0.24 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.78 1spk s SER 6 CO 0.01 0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.27 1spk n GLY 7 N -0.05 0.49 3.24 3.44 0.00 -1.26 -4.92 105.19 106.13 1spk n GLY 7 Ca -0.10 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.40 -1.56 -4.79 1.61 1.13 -1.26 -4.23 117.38 107.87 1spk n GLN 8 Ca 0.00 -0.44 -0.31 0.00 -1.94 0.00 0.00 57.00 54.31 1spk n GLN 8 Cb 0.20 -1.63 -0.13 0.00 0.11 0.00 0.00 30.24 28.79 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 -3.34 2.08 0.13 -1.09 1.02 -1.26 -0.86 119.74 116.42 1spk s LYS 9 Ca 0.54 -0.97 0.07 0.00 0.02 0.00 0.00 55.97 55.63 1spk s LYS 9 Cb -0.09 -2.16 -0.04 0.00 -0.52 0.00 0.00 37.83 35.02 1spk s LYS 9 CO 0.65 0.55 -0.15 0.14 -0.92 0.00 0.00 175.35 175.61 1spk s VAL 10 N -0.85 1.45 -0.07 3.17 -7.23 -0.88 -1.08 120.40 114.91 1spk s VAL 10 Ca 0.13 -1.76 0.03 0.00 -1.81 0.00 0.00 61.98 58.57 1spk s VAL 10 Cb -0.10 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.23 1spk s VAL 10 CO 0.03 -0.39 -0.18 -0.75 -0.31 0.00 0.00 175.10 173.51 1spk s LYS 11 N -2.69 2.17 0.15 4.82 2.20 0.31 -2.18 119.74 124.52 1spk s LYS 11 Ca 0.10 -0.62 -0.30 0.00 -0.36 0.00 0.00 55.97 54.79 1spk s LYS 11 Cb -0.05 -1.74 -0.07 0.00 -1.51 0.00 0.00 37.83 34.45 1spk s LYS 11 CO 0.04 0.14 1.14 0.95 -0.36 0.00 0.00 175.35 177.26 1spk s THR 12 N 0.38 3.87 -1.39 3.43 -4.23 -1.07 -0.29 115.64 116.34 1spk s THR 12 Ca -0.13 1.53 0.17 0.00 -1.18 0.00 0.00 61.69 62.08 1spk s THR 12 Cb -0.15 -3.98 -0.04 0.00 1.34 0.00 0.00 72.50 69.67 1spk s THR 12 CO 0.05 0.22 0.85 2.30 -0.54 0.00 0.00 174.62 177.50 1spk n ILE 13 N 2.78 0.00 -3.79 2.99 -5.35 -1.14 -1.37 119.36 113.49 1spk n ILE 13 Ca 0.04 -0.28 -0.13 0.00 -0.27 0.00 0.00 62.75 62.12 1spk n ILE 13 Cb 0.46 1.16 -0.09 0.00 -1.74 0.00 0.00 39.64 39.43 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 -2.10 -0.12 0.40 4.28 0.08 -1.26 -4.94 117.98 114.32 1spk s PHE 14 Ca 0.12 0.15 -0.24 0.00 0.12 0.00 0.00 56.93 57.08 1spk s PHE 14 Cb 0.13 0.06 -0.09 0.00 -0.57 0.00 0.00 43.02 42.55 1spk s PHE 14 CO 0.48 -0.37 1.05 -1.25 -0.10 0.00 0.00 175.22 175.04 1spk s PRO 15 N -1.37 4.17 -0.35 0.24 0.04 -1.26 -4.27 135.00 132.19 1spk s PRO 15 Ca -0.14 1.53 0.04 0.00 0.04 0.00 0.00 61.00 62.47 1spk s PRO 15 Cb -0.06 -2.56 0.16 0.00 0.04 0.00 0.00 34.50 32.09 1spk s PRO 15 CO 0.03 -0.14 0.44 -1.58 0.04 0.00 0.00 177.00 175.79 1spk s HIS 16 N -1.64 -0.81 0.23 0.56 2.46 -1.22 -4.97 115.29 109.90 1spk s HIS 16 Ca 0.58 -0.24 -0.30 0.00 0.47 0.00 0.00 55.06 55.56 1spk s HIS 16 Cb -0.22 -0.19 -0.09 0.00 -0.13 0.00 0.00 32.58 31.94 1spk s HIS 16 CO 0.28 -1.02 1.34 0.99 -2.47 0.00 0.00 174.74 173.87 1spk s THR 17 N 1.88 2.99 0.00 0.89 2.01 -1.26 -3.22 115.64 118.92 1spk s THR 17 Ca 0.14 0.84 0.00 0.00 0.31 0.00 0.00 61.69 62.99 1spk s THR 17 Cb -0.12 -3.54 0.00 0.00 0.01 0.00 0.00 72.50 68.85 1spk s THR 17 CO -0.13 0.14 0.74 0.00 -0.69 0.00 0.00 174.62 174.68 1spk n ALA 18 N 2.25 1.58 -0.54 7.40 0.00 -1.26 -4.91 120.51 125.03 1spk n ALA 18 Ca 0.05 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1spk n ALA 18 Cb 0.42 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 0.00 -2.82 0.19 0.00 0.00 -1.26 -2.25 105.19 99.05 1spk n GLY 19 Ca 0.00 0.58 -0.07 0.00 0.00 0.00 0.00 46.02 46.54 1spk n GLY 19 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1spk h ASN 20 N 0.00 -0.61 -1.46 1.61 2.35 -1.97 -3.42 115.58 112.08 1spk h ASN 20 Ca 0.00 0.06 -0.64 0.00 -0.55 0.00 0.00 56.30 55.17 1spk h ASN 20 Cb 0.00 0.22 0.14 0.00 0.05 0.00 0.00 38.32 38.73 1spk h ASN 20 CO 0.00 -0.23 -0.76 0.59 -1.65 0.00 0.00 177.43 175.38 1spk n ASN 21 N -3.61 -2.16 -0.04 5.81 3.02 -0.96 -4.89 115.26 112.43 1spk n ASN 21 Ca -0.04 0.94 -0.04 0.00 -0.03 0.00 0.00 54.58 55.41 1spk n ASN 21 Cb 0.17 -0.92 -0.07 0.00 -0.61 0.00 0.00 39.78 38.35 1spk n ASN 21 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1spk n LYS 22 N 1.18 2.58 -0.03 3.52 2.85 -1.26 -4.44 118.16 122.56 1spk n LYS 22 Ca 0.14 -0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.50 1spk n LYS 22 Cb 0.34 -1.22 0.52 0.00 -0.65 0.00 0.00 35.03 34.02 1spk n LYS 22 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1spk n THR 23 N -2.32 0.08 -5.06 0.58 -2.24 -1.26 -4.77 114.28 99.28 1spk n THR 23 Ca -0.14 -0.14 -0.30 0.00 -2.27 0.00 0.00 64.05 61.20 1spk n THR 23 Cb 0.78 -0.01 -0.15 0.00 -2.10 0.00 0.00 70.33 68.84 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 -1.64 2.10 -0.19 3.22 1.43 -1.26 -2.50 118.68 119.84 1spk s LEU 24 Ca 0.32 -0.50 -0.20 0.00 -1.03 0.00 0.00 54.13 52.71 1spk s LEU 24 Cb 0.16 -1.24 -0.03 0.00 0.03 0.00 0.00 46.19 45.11 1spk s LEU 24 CO 0.25 0.27 0.60 -0.22 0.23 0.00 0.00 176.35 177.49 1spk s LEU 25 N -0.87 4.16 -0.25 1.79 2.96 -1.08 -4.63 118.68 120.76 1spk s LEU 25 Ca 0.10 0.82 -0.16 0.00 -0.22 0.00 0.00 54.13 54.66 1spk s LEU 25 Cb -0.10 -2.85 -0.03 0.00 0.50 0.00 0.00 46.19 43.71 1spk s LEU 25 CO 0.00 -0.23 0.44 -0.94 -1.32 0.00 0.00 176.35 174.31 1spk s SER 26 N 1.14 6.38 0.37 3.68 1.04 -1.26 -4.49 113.70 120.55 1spk s SER 26 Ca 0.28 0.45 -0.07 0.00 0.48 0.00 0.00 55.95 57.09 1spk s SER 26 Cb -0.16 -2.25 0.02 0.00 0.10 0.00 0.00 66.02 63.74 1spk s SER 26 CO 0.11 -0.20 0.59 0.72 0.98 0.00 0.00 173.24 175.44 1spk s PHE 27 N 1.99 0.76 0.11 5.02 -0.12 -1.20 -4.89 117.98 119.66 1spk s PHE 27 Ca 0.19 -1.15 0.08 0.00 -0.05 0.00 0.00 56.93 56.00 1spk s PHE 27 Cb -0.15 0.24 -0.04 0.00 -0.63 0.00 0.00 43.02 42.44 1spk s PHE 27 CO 0.09 -1.31 -0.19 0.00 -0.05 0.00 0.00 175.22 173.76 1spk s ALA 28 N -2.71 1.74 -0.16 1.99 0.00 -1.26 -3.45 121.76 117.91 1spk s ALA 28 Ca 0.25 -1.26 -0.39 0.00 0.00 0.00 0.00 51.96 50.56 1spk s ALA 28 Cb -0.02 -0.20 -0.16 0.00 0.00 0.00 0.00 23.12 22.74 1spk s ALA 28 CO 0.18 0.30 1.65 0.94 0.00 0.00 0.00 175.76 178.82 1spk n GLN 29 N 0.92 1.24 0.00 0.00 7.27 -1.26 -0.66 117.38 124.89 1spk n GLN 29 Ca -0.18 0.45 0.00 0.00 0.07 0.00 0.00 57.00 57.34 1spk n GLN 29 Cb 0.54 -2.14 0.00 0.00 2.41 0.00 0.00 30.24 31.06 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 3.76 2.23 3.41 1.69 0.00 -0.47 -5.00 105.19 110.80 1spk n GLY 30 Ca 0.24 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 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 0.17 -1.80 -4.33 1.61 9.92 0.16 -4.56 116.55 117.73 1spk n ASP 31 Ca 0.00 0.64 -0.32 0.00 -0.53 0.00 0.00 54.79 54.57 1spk n ASP 31 Cb 0.00 -1.11 -0.15 0.00 -0.64 0.00 0.00 41.12 39.21 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 -1.85 2.54 0.02 2.53 1.01 -1.26 -2.59 120.40 120.80 1spk s VAL 32 Ca 0.64 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 61.82 1spk s VAL 32 Cb -0.40 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 1spk s VAL 32 CO 0.59 0.56 -0.23 -0.76 0.00 0.00 0.00 175.10 175.26 1spk s LEU 33 N -0.03 2.12 -0.22 3.92 1.43 -0.93 -3.25 118.68 121.71 1spk s LEU 33 Ca -0.06 -0.49 -0.17 0.00 -1.03 0.00 0.00 54.13 52.39 1spk s LEU 33 Cb -0.14 -1.12 -0.03 0.00 0.03 0.00 0.00 46.19 44.92 1spk s LEU 33 CO 0.05 0.23 0.44 -0.89 0.23 0.00 0.00 176.35 176.41 1spk s THR 34 N -0.69 5.15 0.32 5.49 2.01 0.54 -2.06 115.64 126.41 1spk s THR 34 Ca 0.09 0.77 -0.29 0.00 0.31 0.00 0.00 61.69 62.58 1spk s THR 34 Cb -0.09 -3.77 -0.10 0.00 0.01 0.00 0.00 72.50 68.55 1spk s THR 34 CO 0.01 0.19 1.22 -0.76 -0.69 0.00 0.00 174.62 174.59 1spk s LEU 35 N 1.69 4.44 -0.07 4.42 1.02 -0.04 0.21 118.68 130.36 1spk s LEU 35 Ca 0.20 2.52 0.09 0.00 0.02 0.00 0.00 54.13 56.96 1spk s LEU 35 Cb -0.15 -3.68 -0.13 0.00 0.02 0.00 0.00 46.19 42.25 1spk s LEU 35 CO 0.09 -0.42 0.08 0.18 0.02 0.00 0.00 176.35 176.30 1spk n LEU 36 N 0.85 0.00 -4.51 1.79 4.77 -0.97 -4.23 117.00 114.71 1spk n LEU 36 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 1spk n LEU 36 Cb 0.43 0.17 -0.12 0.00 -2.33 0.00 0.00 43.42 41.57 1spk n LEU 36 CO 0.57 0.17 -0.42 0.27 -1.33 0.00 0.00 177.39 176.65 1spk s ILE 37 N -2.35 3.35 0.19 -0.08 -4.36 -1.25 -4.89 121.20 111.80 1spk s ILE 37 Ca -0.04 -0.60 0.11 0.00 -0.26 0.00 0.00 60.65 59.85 1spk s ILE 37 Cb 0.04 -2.35 -0.06 0.00 1.25 0.00 0.00 42.46 41.34 1spk s ILE 37 CO 0.40 0.58 1.52 1.55 0.24 0.00 0.00 174.94 179.23 1spk h PRO 38 N 5.50 0.00 0.00 0.37 0.13 -1.95 -3.46 132.00 132.60 1spk h PRO 38 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1spk h PRO 38 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1spk h PRO 38 CO 0.52 0.69 0.00 0.39 -0.23 0.00 0.00 178.00 179.38 1spk n GLU 39 N -3.60 0.76 -4.30 0.86 4.71 -1.26 -5.13 120.64 112.68 1spk n GLU 39 Ca -0.01 0.00 -0.16 0.00 -0.01 0.00 0.00 57.16 56.99 1spk n GLU 39 Cb 0.71 0.00 -0.10 0.00 -1.01 0.00 0.00 31.44 31.03 1spk n GLU 39 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 1spk s GLU 40 N -1.82 1.25 -0.13 3.49 1.03 -1.26 -4.84 118.70 116.41 1spk s GLU 40 Ca 0.00 -1.61 0.06 0.00 0.03 0.00 0.00 54.97 53.45 1spk s GLU 40 Cb 0.00 -0.52 0.41 0.00 -0.80 0.00 0.00 34.13 33.21 1spk s GLU 40 CO 0.00 -0.09 1.17 1.17 -1.33 0.00 0.00 175.26 176.19 1spk n LYS 41 N -0.35 2.80 -2.27 -4.83 4.81 0.40 -4.80 118.16 113.93 1spk n LYS 41 Ca -0.06 -1.58 -0.05 0.00 -0.87 0.00 0.00 58.31 55.75 1spk n LYS 41 Cb 0.63 -1.85 0.00 0.00 0.02 0.00 0.00 35.03 33.83 1spk n LYS 41 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1spk n ASP 42 N 0.23 -2.40 0.00 3.14 2.03 -1.26 -4.08 116.55 114.20 1spk n ASP 42 Ca 0.16 -0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.43 1spk n ASP 42 Cb 0.78 -1.57 0.00 0.00 -0.72 0.00 0.00 41.12 39.61 1spk n ASP 42 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1spk n GLY 43 N -0.97 2.06 3.56 0.27 0.00 -1.26 -5.10 105.19 103.75 1spk n GLY 43 Ca -0.04 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 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 2.95 0.12 1.61 0.52 -1.26 0.19 118.94 123.07 1spk s TRP 44 Ca 0.00 -0.06 0.10 0.00 0.02 0.00 0.00 56.10 56.16 1spk s TRP 44 Cb 0.00 -1.76 -0.04 0.00 -1.15 0.00 0.00 33.47 30.52 1spk s TRP 44 CO 0.00 0.24 -0.26 -0.51 0.02 0.00 0.00 176.95 176.45 1spk s LEU 45 N -0.55 2.31 -0.10 2.99 2.01 0.31 0.15 118.68 125.81 1spk s LEU 45 Ca 0.08 -0.73 -0.02 0.00 0.01 0.00 0.00 54.13 53.47 1spk s LEU 45 Cb -0.12 -1.14 -0.03 0.00 0.01 0.00 0.00 46.19 44.91 1spk s LEU 45 CO 0.02 0.15 0.00 -0.47 1.01 0.00 0.00 176.35 177.06 1spk s TYR 46 N -1.08 3.16 0.25 0.29 5.04 -1.26 -2.20 117.35 121.53 1spk s TYR 46 Ca 0.12 0.15 -0.07 0.00 -2.44 0.00 0.00 57.07 54.84 1spk s TYR 46 Cb -0.10 -1.82 0.03 0.00 0.35 0.00 0.00 41.96 40.42 1spk s TYR 46 CO 0.06 0.42 0.45 0.41 -1.34 0.00 0.00 175.55 175.54 1spk n GLY 47 N 2.31 1.70 3.43 8.97 0.00 -1.25 -2.28 105.19 118.07 1spk n GLY 47 Ca -0.18 -1.28 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.20 2.85 0.19 1.61 2.12 0.56 -3.54 118.70 120.29 1spk s GLU 48 Ca 0.13 -0.70 -0.30 0.00 0.36 0.00 0.00 54.97 54.46 1spk s GLU 48 Cb -0.02 -2.47 -0.08 0.00 0.26 0.00 0.00 34.13 31.81 1spk s GLU 48 CO 0.09 0.46 1.00 -1.58 -0.54 0.00 0.00 175.26 174.69 1spk s HIS 49 N -0.29 3.80 -0.81 5.30 5.65 -0.65 -0.34 115.29 127.95 1spk s HIS 49 Ca 0.02 1.79 -0.02 0.00 0.25 0.00 0.00 55.06 57.10 1spk s HIS 49 Cb -0.13 -3.11 0.31 0.00 -1.18 0.00 0.00 32.58 28.48 1spk s HIS 49 CO 0.03 0.02 2.11 -3.47 -0.65 0.00 0.00 174.74 172.78 1spk n ASP 50 N 2.02 7.41 0.00 9.88 2.03 -1.20 -2.52 116.55 134.16 1spk n ASP 50 Ca 0.00 -3.75 0.00 0.00 0.52 0.00 0.00 54.79 51.56 1spk n ASP 50 Cb 0.47 -1.10 0.00 0.00 -0.72 0.00 0.00 41.12 39.78 1spk n ASP 50 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1spk n THR 51 N -0.33 0.00 0.07 5.18 5.66 -1.26 -4.92 114.28 118.68 1spk n THR 51 Ca 0.53 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 61.60 1spk n THR 51 Cb 0.27 -0.04 -0.10 0.00 -1.55 0.00 0.00 70.33 68.91 1spk n THR 51 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1spk n THR 52 N -1.91 0.00 -0.71 1.09 5.66 -1.26 -4.97 114.28 112.19 1spk n THR 52 Ca 0.00 -0.29 0.00 0.00 -3.05 0.00 0.00 64.05 60.71 1spk n THR 52 Cb 0.00 0.30 0.00 0.00 -1.55 0.00 0.00 70.33 69.08 1spk n THR 52 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1spk n LYS 53 N -1.88 0.00 -3.27 1.09 4.76 -1.05 -4.99 118.16 112.83 1spk n LYS 53 Ca -0.02 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.08 1spk n LYS 53 Cb 0.33 -2.28 -0.06 0.00 -1.84 0.00 0.00 35.03 31.18 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 -3.64 3.47 -0.08 7.82 0.00 -1.26 -4.68 121.76 123.39 1spk s ALA 54 Ca 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 51.96 51.91 1spk s ALA 54 Cb 0.00 -2.62 -0.02 0.00 0.00 0.00 0.00 23.12 20.47 1spk s ALA 54 CO 0.00 0.41 -0.11 1.03 0.00 0.00 0.00 175.76 177.09 1spk s ARG 55 N -2.46 2.89 0.00 0.00 0.52 -1.26 -1.63 118.95 117.00 1spk s ARG 55 Ca 0.46 -0.64 0.00 0.00 -0.52 0.00 0.00 55.73 55.02 1spk s ARG 55 Cb -0.13 -2.54 0.00 0.00 0.52 0.00 0.00 34.95 32.80 1spk s ARG 55 CO 0.20 0.49 0.00 0.41 0.02 0.00 0.00 175.30 176.42 1spk n GLY 56 N 2.71 4.65 3.49 -3.53 0.00 -1.23 -4.91 105.19 106.36 1spk n GLY 56 Ca -0.18 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.31 2.88 0.02 1.61 0.52 -1.04 -3.81 118.94 117.81 1spk s TRP 57 Ca 0.00 -0.25 -0.04 0.00 0.02 0.00 0.00 56.10 55.83 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 0.09 0.06 -0.59 0.02 0.00 0.00 176.95 176.52 1spk s PHE 58 N -0.24 0.18 -0.13 -1.98 -0.12 -0.94 -2.64 117.98 112.11 1spk s PHE 58 Ca 0.03 -0.41 -0.29 0.00 -0.05 0.00 0.00 56.93 56.20 1spk s PHE 58 Cb -0.13 -0.14 -0.02 0.00 -0.63 0.00 0.00 43.02 42.10 1spk s PHE 58 CO 0.03 -0.27 1.26 -1.25 -0.05 0.00 0.00 175.22 174.93 1spk s PRO 59 N -1.81 4.26 0.62 1.99 0.04 -1.26 0.11 135.00 138.96 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 -3.72 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 1.03 0.04 0.00 0.00 177.00 179.13 1spk h SER 60 N 8.05 0.00 0.48 6.66 0.87 0.18 1.59 113.55 131.39 1spk h SER 60 Ca -0.29 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.15 1spk h SER 60 Cb 1.12 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 1spk h SER 60 CO 0.95 0.00 -0.55 0.28 -0.53 0.00 0.00 176.83 176.98 1spk h SER 61 N 0.00 0.08 -0.25 6.23 0.02 -1.90 -2.39 113.55 115.33 1spk h SER 61 Ca 0.17 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1spk h SER 61 Cb 1.37 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.89 1spk h SER 61 CO -0.00 0.61 0.00 -1.22 -1.14 0.00 0.00 176.83 175.08 1spk n TYR 62 N -3.90 0.39 -3.87 3.45 4.02 0.54 -4.83 117.16 112.98 1spk n TYR 62 Ca -0.02 -0.18 -0.11 0.00 -0.01 0.00 0.00 57.90 57.58 1spk n TYR 62 Cb 0.56 -0.03 -0.09 0.00 -0.02 0.00 0.00 39.34 39.76 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 -1.65 0.09 0.09 -0.72 -4.23 -0.90 -2.87 115.64 105.45 1spk s THR 63 Ca 0.18 -0.77 0.03 0.00 -1.18 0.00 0.00 61.69 59.95 1spk s THR 63 Cb 0.10 -0.60 -0.03 0.00 1.34 0.00 0.00 72.50 73.30 1spk s THR 63 CO 0.11 -0.43 -0.10 -0.54 -0.54 0.00 0.00 174.62 173.13 1spk s LYS 64 N -1.78 0.79 0.13 3.99 1.02 0.60 -4.83 119.74 119.67 1spk s LYS 64 Ca -0.12 -1.08 -0.31 0.00 0.02 0.00 0.00 55.97 54.48 1spk s LYS 64 Cb -0.05 -0.50 -0.08 0.00 -0.52 0.00 0.00 37.83 36.67 1spk s LYS 64 CO -0.00 0.08 1.37 -0.51 -0.92 0.00 0.00 175.35 175.37 1spk s LEU 65 N -2.27 4.38 1.17 3.17 1.43 -1.26 0.12 118.68 125.42 1spk s LEU 65 Ca 0.03 2.34 -0.17 0.00 -1.03 0.00 0.00 54.13 55.30 1spk s LEU 65 Cb -0.04 -3.59 0.20 0.00 0.03 0.00 0.00 46.19 42.79 1spk s LEU 65 CO -0.00 -0.62 0.44 0.18 0.23 0.00 0.00 176.35 176.58 1spk n LEU 66 N 3.65 -2.01 -3.19 1.79 4.77 -0.24 -4.80 117.00 116.96 1spk n LEU 66 Ca 0.10 -0.24 -0.20 0.00 -0.03 0.00 0.00 56.01 55.64 1spk n LEU 66 Cb 0.42 -1.05 -0.06 0.00 -2.33 0.00 0.00 43.42 40.40 1spk n LEU 66 CO 0.58 -3.31 -0.18 -1.54 -1.33 0.00 0.00 177.39 171.61 1spk n SER 67 N -3.18 -1.34 -0.67 -1.43 3.41 -1.26 -5.03 113.62 104.12 1spk n SER 67 Ca 0.02 -2.57 0.00 0.00 -0.26 0.00 0.00 58.87 56.06 1spk n SER 67 Cb 0.58 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 1spk n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1spk n GLY 68 N 2.74 1.50 3.80 5.00 0.00 -1.26 -5.08 105.19 111.89 1spk n GLY 68 Ca 0.25 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.31 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 2.66 1.88 -0.29 1.61 0.04 -1.26 -5.05 135.00 134.59 1spk s PRO 69 Ca 0.00 0.56 0.03 0.00 0.04 0.00 0.00 61.00 61.62 1spk s PRO 69 Cb 0.00 -1.90 0.08 0.00 0.04 0.00 0.00 34.50 32.72 1spk s PRO 69 CO 0.00 -1.75 -0.03 0.45 0.04 0.00 0.00 177.00 175.71 1spk s SER 70 N -3.94 4.42 0.23 6.66 0.15 -1.26 -4.90 113.70 115.06 1spk s SER 70 Ca 0.61 -1.64 0.00 0.00 0.70 0.00 0.00 55.95 55.63 1spk s SER 70 Cb -0.14 -1.46 0.00 0.00 -1.71 0.00 0.00 66.02 62.70 1spk s SER 70 CO 0.54 -0.28 0.00 -0.24 1.20 0.00 0.00 173.24 174.46 1spk n SER 71 N 4.44 0.06 0.00 5.45 2.88 -1.26 -5.35 113.62 119.83 1spk n SER 71 Ca -0.07 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1spk n SER 71 Cb 0.42 0.25 0.00 0.00 -0.75 0.00 0.00 64.21 64.13 1spk n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42