#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 1.02 -0.36 1.61 1.04 -1.26 -4.63 113.70 111.11 1spk s SER 2 Ca 0.00 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1spk s SER 2 Cb 0.00 -0.40 0.14 0.00 0.10 0.00 0.00 66.02 65.86 1spk s SER 2 CO 0.00 -0.10 0.22 -0.44 0.98 0.00 0.00 173.24 173.90 1spk s SER 3 N 1.22 2.95 0.73 7.02 0.01 -1.26 -5.10 113.70 119.27 1spk s SER 3 Ca -0.07 -2.28 0.00 0.00 1.31 0.00 0.00 55.95 54.91 1spk s SER 3 Cb -0.14 -0.46 0.00 0.00 0.21 0.00 0.00 66.02 65.63 1spk s SER 3 CO -0.02 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 173.95 1spk n GLY 4 N 3.93 0.63 3.17 3.44 0.00 -1.26 -4.57 105.19 110.53 1spk n GLY 4 Ca 0.13 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 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 4.29 -0.07 1.61 0.01 -1.26 -5.07 113.70 109.20 1spk s SER 5 Ca 0.00 -0.97 -0.31 0.00 1.31 0.00 0.00 55.95 55.98 1spk s SER 5 Cb 0.00 -1.64 0.12 0.00 0.21 0.00 0.00 66.02 64.71 1spk s SER 5 CO 0.00 -0.14 1.01 -0.44 0.41 0.00 0.00 173.24 174.08 1spk s SER 6 N 1.28 -0.28 -1.45 2.44 0.01 -1.26 -4.99 113.70 109.45 1spk s SER 6 Ca -0.01 0.00 -0.08 0.00 1.31 0.00 0.00 55.95 57.16 1spk s SER 6 Cb -0.17 0.30 0.01 0.00 0.21 0.00 0.00 66.02 66.37 1spk s SER 6 CO -0.05 -0.48 0.22 0.61 0.41 0.00 0.00 173.24 173.95 1spk n GLY 7 N -0.18 -0.31 3.12 3.44 0.00 -1.26 -4.84 105.19 105.15 1spk n GLY 7 Ca -0.05 0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -4.67 -0.70 -4.89 1.61 3.00 -1.26 -3.87 117.38 106.60 1spk n GLN 8 Ca -0.27 -0.20 -0.31 0.00 -0.01 0.00 0.00 57.00 56.21 1spk n GLN 8 Cb 0.66 -1.30 -0.14 0.00 0.00 0.00 0.00 30.24 29.46 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 -2.62 1.98 0.12 -1.09 1.02 -1.26 -0.56 119.74 117.33 1spk s LYS 9 Ca 0.45 -1.01 0.06 0.00 0.02 0.00 0.00 55.97 55.48 1spk s LYS 9 Cb 0.01 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 35.20 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 1.32 -0.08 3.17 -7.23 -0.98 -1.60 120.40 114.20 1spk s VAL 10 Ca 0.12 -1.72 0.04 0.00 -1.81 0.00 0.00 61.98 58.62 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 -0.42 -0.23 -0.75 -0.31 0.00 0.00 175.10 173.42 1spk s LYS 11 N -2.69 2.66 -0.04 4.82 2.20 0.49 -2.39 119.74 124.79 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 -2.10 -0.02 0.00 -1.51 0.00 0.00 37.83 34.14 1spk s LYS 11 CO 0.03 0.23 1.02 0.95 -0.36 0.00 0.00 175.35 177.22 1spk s THR 12 N 0.20 4.75 -0.88 3.43 -4.23 -1.11 0.15 115.64 117.94 1spk s THR 12 Ca -0.13 1.99 0.22 0.00 -1.18 0.00 0.00 61.69 62.59 1spk s THR 12 Cb -0.16 -4.28 -0.18 0.00 1.34 0.00 0.00 72.50 69.22 1spk s THR 12 CO 0.06 0.09 0.98 2.30 -0.54 0.00 0.00 174.62 177.51 1spk n ILE 13 N 4.20 0.02 -3.88 2.99 -5.35 -1.22 -0.38 119.36 115.74 1spk n ILE 13 Ca 0.08 -0.07 -0.11 0.00 -0.27 0.00 0.00 62.75 62.38 1spk n ILE 13 Cb 0.50 0.69 -0.11 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 -3.06 0.05 0.51 4.28 0.08 -1.26 -4.90 117.98 113.68 1spk s PHE 14 Ca 0.07 -0.12 -0.19 0.00 0.12 0.00 0.00 56.93 56.81 1spk s PHE 14 Cb 0.16 -0.06 -0.07 0.00 -0.57 0.00 0.00 43.02 42.48 1spk s PHE 14 CO 0.83 -0.23 1.04 -1.25 -0.10 0.00 0.00 175.22 175.51 1spk s PRO 15 N -1.15 3.70 -0.30 0.24 0.04 -1.26 -4.46 135.00 131.81 1spk s PRO 15 Ca -0.12 1.31 -0.01 0.00 0.04 0.00 0.00 61.00 62.21 1spk s PRO 15 Cb -0.07 -2.08 0.19 0.00 0.04 0.00 0.00 34.50 32.58 1spk s PRO 15 CO 0.01 -0.51 0.78 -1.58 0.04 0.00 0.00 177.00 175.74 1spk s HIS 16 N -2.12 -1.28 0.36 0.56 2.46 -1.25 -4.98 115.29 109.04 1spk s HIS 16 Ca 0.66 0.73 -0.07 0.00 0.47 0.00 0.00 55.06 56.85 1spk s HIS 16 Cb -0.16 0.22 -0.05 0.00 -0.13 0.00 0.00 32.58 32.46 1spk s HIS 16 CO 0.24 -0.75 0.67 0.99 -2.47 0.00 0.00 174.74 173.42 1spk s THR 17 N 2.84 4.91 -0.06 0.89 2.01 -1.26 -3.68 115.64 121.29 1spk s THR 17 Ca 0.17 0.29 -0.00 0.00 0.31 0.00 0.00 61.69 62.46 1spk s THR 17 Cb -0.06 -3.75 -0.00 0.00 0.01 0.00 0.00 72.50 68.69 1spk s THR 17 CO -0.24 -0.48 -0.00 0.00 -0.69 0.00 0.00 174.62 173.21 1spk h ALA 18 N 1.29 0.00 -2.23 7.40 0.00 -1.82 -3.47 119.26 120.43 1spk h ALA 18 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1spk h ALA 18 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1spk h ALA 18 CO 0.64 0.01 0.00 0.41 0.00 0.00 0.00 179.25 180.31 1spk n GLY 19 N 1.86 -0.10 4.87 0.00 0.00 -1.26 -4.36 105.19 106.21 1spk n GLY 19 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.64 0.00 -4.50 1.61 2.85 -1.26 -4.93 115.26 108.39 1spk n ASN 20 Ca 0.00 0.00 -0.55 0.00 -0.11 0.00 0.00 54.58 53.92 1spk n ASN 20 Cb 0.27 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.22 1spk n ASN 20 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1spk n ASN 21 N 3.54 0.16 -1.56 1.20 4.13 -1.26 -4.83 115.26 116.64 1spk n ASN 21 Ca 0.00 1.15 -0.01 0.00 1.68 0.00 0.00 54.58 57.39 1spk n ASN 21 Cb 0.00 -1.00 0.28 0.00 -1.54 0.00 0.00 39.78 37.52 1spk n ASN 21 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1spk n LYS 22 N 1.57 3.25 -0.00 3.52 0.00 -1.26 -4.16 118.16 121.07 1spk n LYS 22 Ca 0.19 -3.05 0.04 0.00 -0.00 0.00 0.00 58.31 55.49 1spk n LYS 22 Cb 0.15 -2.06 -0.05 0.00 -0.00 0.00 0.00 35.03 33.07 1spk n LYS 22 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1spk n THR 23 N -0.39 0.00 -4.37 0.58 -2.24 -1.26 -4.97 114.28 101.63 1spk n THR 23 Ca 0.34 -0.24 -0.30 0.00 -2.27 0.00 0.00 64.05 61.58 1spk n THR 23 Cb 1.20 0.60 -0.11 0.00 -2.10 0.00 0.00 70.33 69.92 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 -3.05 2.97 -0.10 3.22 1.43 -1.26 -1.90 118.68 119.99 1spk s LEU 24 Ca -0.01 -0.34 -0.18 0.00 -1.03 0.00 0.00 54.13 52.57 1spk s LEU 24 Cb 0.05 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 1spk s LEU 24 CO 0.32 0.22 0.48 -0.22 0.23 0.00 0.00 176.35 177.38 1spk s LEU 25 N -1.86 4.30 -0.25 1.79 2.96 -1.15 -4.62 118.68 119.85 1spk s LEU 25 Ca 0.19 0.86 -0.13 0.00 -0.22 0.00 0.00 54.13 54.83 1spk s LEU 25 Cb -0.11 -2.71 -0.04 0.00 0.50 0.00 0.00 46.19 43.83 1spk s LEU 25 CO 0.10 0.03 0.27 -0.94 -1.32 0.00 0.00 176.35 174.49 1spk s SER 26 N 0.43 6.18 0.36 3.68 1.04 -1.26 -4.32 113.70 119.80 1spk s SER 26 Ca 0.26 0.19 -0.13 0.00 0.48 0.00 0.00 55.95 56.75 1spk s SER 26 Cb -0.15 -2.16 0.04 0.00 0.10 0.00 0.00 66.02 63.84 1spk s SER 26 CO 0.11 -0.06 0.70 0.72 0.98 0.00 0.00 173.24 175.69 1spk s PHE 27 N 1.57 0.30 0.15 5.02 -0.12 -1.24 -4.97 117.98 118.69 1spk s PHE 27 Ca 0.11 -0.84 0.10 0.00 -0.05 0.00 0.00 56.93 56.25 1spk s PHE 27 Cb -0.15 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 42.79 1spk s PHE 27 CO 0.08 -1.41 -0.18 0.00 -0.05 0.00 0.00 175.22 173.67 1spk s ALA 28 N -2.76 2.70 0.00 1.99 0.00 -1.26 -3.82 121.76 118.62 1spk s ALA 28 Ca 0.18 -1.46 -0.36 0.00 0.00 0.00 0.00 51.96 50.32 1spk s ALA 28 Cb -0.04 -0.58 -0.14 0.00 0.00 0.00 0.00 23.12 22.36 1spk s ALA 28 CO 0.13 0.52 1.61 0.94 0.00 0.00 0.00 175.76 178.96 1spk n GLN 29 N 0.48 1.70 0.00 0.00 7.27 -1.26 -1.07 117.38 124.49 1spk n GLN 29 Ca -0.14 0.62 0.00 0.00 0.07 0.00 0.00 57.00 57.55 1spk n GLN 29 Cb 0.54 -2.35 0.00 0.00 2.41 0.00 0.00 30.24 30.84 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 3.54 2.24 3.41 1.69 0.00 0.49 -5.00 105.19 111.57 1spk n GLY 30 Ca 0.20 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 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 0.20 -1.69 -4.47 1.61 9.92 -0.24 -4.49 116.55 117.40 1spk n ASP 31 Ca 0.00 0.68 -0.33 0.00 -0.53 0.00 0.00 54.79 54.61 1spk n ASP 31 Cb 0.00 -1.11 -0.13 0.00 -0.64 0.00 0.00 41.12 39.24 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 -1.81 3.41 -0.03 2.53 1.01 -1.26 -2.76 120.40 121.47 1spk s VAL 32 Ca 0.65 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 62.14 1spk s VAL 32 Cb -0.43 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 1spk s VAL 32 CO 0.58 0.55 -0.23 -0.76 0.00 0.00 0.00 175.10 175.24 1spk s LEU 33 N -0.11 2.03 -0.21 3.92 1.43 -1.00 -3.34 118.68 121.40 1spk s LEU 33 Ca -0.00 -0.44 -0.19 0.00 -1.03 0.00 0.00 54.13 52.47 1spk s LEU 33 Cb -0.13 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 1spk s LEU 33 CO 0.03 0.25 0.55 -0.89 0.23 0.00 0.00 176.35 176.52 1spk s THR 34 N -0.33 5.08 0.52 5.49 2.01 0.25 -2.31 115.64 126.34 1spk s THR 34 Ca 0.03 1.01 -0.20 0.00 0.31 0.00 0.00 61.69 62.84 1spk s THR 34 Cb -0.11 -3.87 -0.07 0.00 0.01 0.00 0.00 72.50 68.47 1spk s THR 34 CO 0.01 0.15 1.09 -0.76 -0.69 0.00 0.00 174.62 174.42 1spk s LEU 35 N 1.80 3.78 -0.02 4.42 1.02 0.28 0.20 118.68 130.15 1spk s LEU 35 Ca 0.25 2.08 -0.01 0.00 0.02 0.00 0.00 54.13 56.47 1spk s LEU 35 Cb -0.16 -4.57 -0.01 0.00 0.02 0.00 0.00 46.19 41.47 1spk s LEU 35 CO 0.10 -1.06 -0.02 0.18 0.02 0.00 0.00 176.35 175.56 1spk n LEU 36 N -1.20 0.73 -4.83 1.79 4.77 -1.22 -4.15 117.00 112.88 1spk n LEU 36 Ca 0.11 0.02 -0.36 0.00 -0.03 0.00 0.00 56.01 55.74 1spk n LEU 36 Cb 0.52 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.48 1spk n LEU 36 CO 0.41 0.14 -0.18 0.27 -1.33 0.00 0.00 177.39 176.70 1spk s ILE 37 N -2.03 5.42 -0.67 -0.08 -4.36 -1.26 -4.75 121.20 113.45 1spk s ILE 37 Ca -0.03 0.18 0.24 0.00 -0.26 0.00 0.00 60.65 60.79 1spk s ILE 37 Cb 0.01 -3.38 0.25 0.00 1.25 0.00 0.00 42.46 40.59 1spk s ILE 37 CO 0.03 0.58 1.74 -0.81 0.24 0.00 0.00 174.94 176.72 1spk n PRO 38 N 2.36 0.19 -2.89 0.37 -0.04 -1.26 -4.79 135.00 128.94 1spk n PRO 38 Ca -0.19 0.28 -0.20 0.00 -0.04 0.00 0.00 63.50 63.35 1spk n PRO 38 Cb 0.54 -1.78 0.07 0.00 -0.04 0.00 0.00 33.50 32.29 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 -3.17 2.21 0.03 0.54 2.56 -1.26 -5.13 118.70 114.48 1spk s GLU 39 Ca 0.08 -1.40 0.05 0.00 0.00 0.00 0.00 54.97 53.70 1spk s GLU 39 Cb 0.11 -2.57 -0.02 0.00 2.00 0.00 0.00 34.13 33.66 1spk s GLU 39 CO 0.48 -0.94 -0.15 -1.83 -0.56 0.00 0.00 175.26 172.26 1spk s GLU 40 N -4.76 1.09 -1.44 4.30 -1.05 -1.26 -4.67 118.70 110.90 1spk s GLU 40 Ca 0.62 -0.72 -0.12 0.00 -0.15 0.00 0.00 54.97 54.60 1spk s GLU 40 Cb -0.06 -1.10 -0.04 0.00 -0.44 0.00 0.00 34.13 32.49 1spk s GLU 40 CO 0.40 0.28 2.53 1.17 0.95 0.00 0.00 175.26 180.59 1spk n LYS 41 N 2.13 3.08 -3.30 -4.83 3.00 0.50 -4.36 118.16 114.39 1spk n LYS 41 Ca -0.17 -2.28 -0.16 0.00 -0.00 0.00 0.00 58.31 55.71 1spk n LYS 41 Cb 0.55 -2.98 0.07 0.00 0.00 0.00 0.00 35.03 32.67 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 4.91 -5.85 0.00 3.14 9.92 -1.26 -2.89 116.55 124.52 1spk n ASP 42 Ca 0.63 -0.71 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 1spk n ASP 42 Cb 0.30 -5.14 0.00 0.00 -0.64 0.00 0.00 41.12 35.64 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 -1.23 3.03 3.78 0.44 0.00 -1.26 -5.03 105.19 104.92 1spk n GLY 43 Ca -0.11 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.47 2.79 0.08 1.61 0.52 -1.14 -1.77 118.94 120.56 1spk s TRP 44 Ca 0.00 1.55 0.06 0.00 0.02 0.00 0.00 56.10 57.74 1spk s TRP 44 Cb 0.00 -3.20 -0.03 0.00 -1.15 0.00 0.00 33.47 29.09 1spk s TRP 44 CO 0.00 -1.30 -0.16 -0.51 0.02 0.00 0.00 176.95 174.99 1spk s LEU 45 N -3.73 2.29 0.25 2.99 1.43 0.35 0.19 118.68 122.46 1spk s LEU 45 Ca 0.70 -0.65 0.07 0.00 -1.03 0.00 0.00 54.13 53.23 1spk s LEU 45 Cb -0.21 -0.63 -0.04 0.00 0.03 0.00 0.00 46.19 45.35 1spk s LEU 45 CO 0.25 -0.04 0.17 -0.47 0.23 0.00 0.00 176.35 176.49 1spk s TYR 46 N -1.29 3.07 -0.04 0.29 5.04 -1.26 -1.83 117.35 121.32 1spk s TYR 46 Ca 0.01 -0.12 -0.15 0.00 -2.44 0.00 0.00 57.07 54.38 1spk s TYR 46 Cb -0.10 -1.39 0.05 0.00 0.35 0.00 0.00 41.96 40.87 1spk s TYR 46 CO 0.03 0.53 0.67 0.41 -1.34 0.00 0.00 175.55 175.85 1spk n GLY 47 N -1.08 0.26 3.38 8.97 0.00 -1.25 -3.45 105.19 112.03 1spk n GLY 47 Ca -0.08 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.72 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 2.33 0.12 1.61 2.12 0.52 -3.41 118.70 119.98 1spk s GLU 48 Ca 0.16 -0.82 -0.29 0.00 0.36 0.00 0.00 54.97 54.38 1spk s GLU 48 Cb -0.00 -2.20 -0.06 0.00 0.26 0.00 0.00 34.13 32.12 1spk s GLU 48 CO -0.01 0.57 0.91 -1.58 -0.54 0.00 0.00 175.26 174.61 1spk s HIS 49 N -0.62 3.83 -0.30 5.30 5.65 -0.71 -0.59 115.29 127.85 1spk s HIS 49 Ca 0.09 1.74 -0.03 0.00 0.25 0.00 0.00 55.06 57.12 1spk s HIS 49 Cb -0.11 -2.98 0.07 0.00 -1.18 0.00 0.00 32.58 28.39 1spk s HIS 49 CO 0.00 0.27 2.53 -3.47 -0.65 0.00 0.00 174.74 173.42 1spk n ASP 50 N 2.55 6.22 0.00 9.88 -0.08 -1.21 -2.86 116.55 131.05 1spk n ASP 50 Ca 0.00 -2.99 0.00 0.00 -1.51 0.00 0.00 54.79 50.29 1spk n ASP 50 Cb 0.49 -1.18 0.00 0.00 2.34 0.00 0.00 41.12 42.77 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 0.93 0.00 0.25 5.18 -1.04 -1.26 -4.92 114.28 113.43 1spk n THR 51 Ca 0.37 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.51 1spk n THR 51 Cb 0.61 0.00 0.66 0.00 -1.82 0.00 0.00 70.33 69.78 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 -1.94 -3.45 112.91 121.91 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 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1spk h THR 52 CO 0.00 0.13 0.00 0.29 -0.25 0.00 0.00 175.52 175.69 1spk n LYS 53 N -3.46 0.00 -3.74 4.72 4.76 -1.13 -5.00 118.16 114.32 1spk n LYS 53 Ca -0.01 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.15 1spk n LYS 53 Cb 0.30 -2.58 -0.03 0.00 -1.84 0.00 0.00 35.03 30.88 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 -3.71 3.85 -0.08 7.82 0.00 -1.26 -4.75 121.76 123.63 1spk s ALA 54 Ca 0.00 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.14 1spk s ALA 54 Cb 0.00 -1.97 -0.03 0.00 0.00 0.00 0.00 23.12 21.12 1spk s ALA 54 CO 0.00 0.50 -0.09 1.03 0.00 0.00 0.00 175.76 177.20 1spk s ARG 55 N -3.19 2.88 0.03 0.00 0.52 -1.26 -1.73 118.95 116.18 1spk s ARG 55 Ca 0.38 -0.60 0.00 0.00 -0.52 0.00 0.00 55.73 55.00 1spk s ARG 55 Cb -0.11 -2.58 -0.00 0.00 0.52 0.00 0.00 34.95 32.77 1spk s ARG 55 CO 0.28 0.55 0.01 0.41 0.02 0.00 0.00 175.30 176.58 1spk n GLY 56 N 2.55 4.03 3.49 -3.53 0.00 -1.22 -4.92 105.19 105.59 1spk n GLY 56 Ca -0.18 -1.87 -0.33 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.80 -3.77 118.94 117.66 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 -0.11 -1.98 -0.12 -0.76 -2.94 117.98 112.04 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 -0.02 0.00 -0.63 0.00 0.00 43.02 42.09 1spk s PHE 58 CO 0.03 -0.27 1.25 -1.25 -0.05 0.00 0.00 175.22 174.93 1spk s PRO 59 N -1.82 4.28 0.62 1.99 0.04 -1.26 0.13 135.00 138.98 1spk s PRO 59 Ca -0.12 1.69 0.26 0.00 0.04 0.00 0.00 61.00 62.87 1spk s PRO 59 Cb -0.06 -3.67 1.30 0.00 0.04 0.00 0.00 34.50 32.10 1spk s PRO 59 CO -0.01 -0.60 1.72 0.66 0.04 0.00 0.00 177.00 178.81 1spk h SER 60 N 7.90 0.00 0.32 6.66 4.64 -1.64 1.50 113.55 132.94 1spk h SER 60 Ca -0.30 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.89 1spk h SER 60 Cb 1.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 1spk h SER 60 CO 0.93 0.00 -0.51 -1.28 -0.87 0.00 0.00 176.83 175.10 1spk h SER 61 N 0.00 0.23 -0.21 4.97 0.87 -1.90 -2.35 113.55 115.16 1spk h SER 61 Ca 0.19 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1spk h SER 61 Cb 1.41 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 1spk h SER 61 CO -0.00 0.70 0.00 -1.22 -0.53 0.00 0.00 176.83 175.77 1spk n TYR 62 N -3.95 0.35 -3.88 2.24 4.02 0.51 -4.82 117.16 111.63 1spk n TYR 62 Ca -0.02 -0.16 -0.10 0.00 -0.01 0.00 0.00 57.90 57.61 1spk n TYR 62 Cb 0.54 -0.04 -0.09 0.00 -0.02 0.00 0.00 39.34 39.73 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 -1.67 0.10 0.10 -0.72 -4.23 -0.88 -3.41 115.64 104.92 1spk s THR 63 Ca 0.15 -0.84 0.04 0.00 -1.18 0.00 0.00 61.69 59.86 1spk s THR 63 Cb 0.08 -0.65 -0.04 0.00 1.34 0.00 0.00 72.50 73.24 1spk s THR 63 CO 0.09 -0.46 -0.11 -0.54 -0.54 0.00 0.00 174.62 173.06 1spk s LYS 64 N -1.94 0.87 0.18 3.99 1.02 0.12 -4.83 119.74 119.14 1spk s LYS 64 Ca -0.10 -1.15 -0.30 0.00 0.02 0.00 0.00 55.97 54.44 1spk s LYS 64 Cb -0.05 -0.60 -0.08 0.00 -0.52 0.00 0.00 37.83 36.58 1spk s LYS 64 CO -0.01 0.10 1.21 -0.51 -0.92 0.00 0.00 175.35 175.22 1spk s LEU 65 N -2.39 4.44 0.00 3.17 1.43 -1.26 0.18 118.68 124.26 1spk s LEU 65 Ca 0.05 2.23 -0.21 0.00 -1.03 0.00 0.00 54.13 55.17 1spk s LEU 65 Cb -0.04 -3.60 0.33 0.00 0.03 0.00 0.00 46.19 42.91 1spk s LEU 65 CO 0.01 -0.39 0.77 0.18 0.23 0.00 0.00 176.35 177.15 1spk n LEU 66 N 2.63 0.00 -3.60 1.79 4.77 -0.63 -4.77 117.00 117.19 1spk n LEU 66 Ca 0.05 -0.78 -0.27 0.00 -0.03 0.00 0.00 56.01 54.98 1spk n LEU 66 Cb 0.45 -0.87 -0.10 0.00 -2.33 0.00 0.00 43.42 40.56 1spk n LEU 66 CO 0.56 -2.66 -0.13 -1.20 -1.33 0.00 0.00 177.39 172.62 1spk n SER 67 N -5.47 1.75 0.00 -1.43 7.64 -1.26 -5.05 113.62 109.80 1spk n SER 67 Ca 0.12 -2.93 0.00 0.00 1.01 0.00 0.00 58.87 57.07 1spk n SER 67 Cb 0.53 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1spk n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1spk n GLY 68 N 2.00 2.72 1.44 0.23 0.00 -1.26 -5.09 105.19 105.24 1spk n GLY 68 Ca 0.25 -1.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.25 1spk n GLY 68 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1spk n PRO 69 N 0.60 -1.18 -2.96 1.61 -0.04 -1.26 -5.04 135.00 126.73 1spk n PRO 69 Ca 0.00 -0.75 -0.15 0.00 -0.04 0.00 0.00 63.50 62.57 1spk n PRO 69 Cb 0.00 -0.59 -0.01 0.00 -0.04 0.00 0.00 33.50 32.86 1spk n PRO 69 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1spk n SER 70 N -3.53 -1.78 -4.78 3.54 2.88 -1.26 -5.13 113.62 103.56 1spk n SER 70 Ca 0.06 -2.94 -0.39 0.00 -1.33 0.00 0.00 58.87 54.27 1spk n SER 70 Cb 0.23 0.78 -0.06 0.00 -0.75 0.00 0.00 64.21 64.41 1spk n SER 70 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1spk s SER 71 N -0.87 7.13 0.00 -3.46 1.04 -1.26 -4.75 113.70 111.53 1spk s SER 71 Ca 0.33 1.34 0.00 0.00 0.48 0.00 0.00 55.95 58.10 1spk s SER 71 Cb 0.15 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.86 1spk s SER 71 CO -0.17 0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.83