#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 -0.49 -0.23 1.61 0.15 -1.26 -5.15 113.70 108.33 1spk s SER 2 Ca 0.00 0.10 -0.10 0.00 0.70 0.00 0.00 55.95 56.65 1spk s SER 2 Cb 0.00 0.54 -0.05 0.00 -1.71 0.00 0.00 66.02 64.80 1spk s SER 2 CO 0.00 -0.83 0.14 -0.55 1.20 0.00 0.00 173.24 173.21 1spk s SER 3 N -2.32 6.02 -0.06 5.45 0.15 -1.26 -4.80 113.70 116.89 1spk s SER 3 Ca -0.02 0.10 -0.05 0.00 0.70 0.00 0.00 55.95 56.68 1spk s SER 3 Cb -0.00 -2.08 0.02 0.00 -1.71 0.00 0.00 66.02 62.24 1spk s SER 3 CO -0.06 0.08 0.09 0.61 1.20 0.00 0.00 173.24 175.16 1spk n GLY 4 N 4.21 -4.94 3.65 9.45 0.00 -1.26 -5.09 105.19 111.21 1spk n GLY 4 Ca -0.15 0.58 -0.00 0.00 0.00 0.00 0.00 46.02 46.45 1spk n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1spk s SER 5 N -0.48 -0.27 0.59 1.61 0.15 -1.26 -5.17 113.70 108.88 1spk s SER 5 Ca -0.11 0.44 -0.13 0.00 0.70 0.00 0.00 55.95 56.85 1spk s SER 5 Cb 0.01 1.06 -0.05 0.00 -1.71 0.00 0.00 66.02 65.33 1spk s SER 5 CO 0.29 -0.07 1.02 -0.94 1.20 0.00 0.00 173.24 174.74 1spk s SER 6 N 1.11 6.20 0.00 5.45 1.04 -1.26 -4.97 113.70 121.28 1spk s SER 6 Ca -0.08 1.54 0.00 0.00 0.48 0.00 0.00 55.95 57.89 1spk s SER 6 Cb -0.03 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.60 1spk s SER 6 CO -0.12 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.83 1spk n GLY 7 N -2.08 0.00 3.48 7.32 0.00 -1.26 -4.86 105.19 107.78 1spk n GLY 7 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.00 -4.85 1.61 1.13 -1.26 -4.33 117.38 108.68 1spk n GLN 8 Ca 0.00 -0.25 -0.31 0.00 -1.94 0.00 0.00 57.00 54.50 1spk n GLN 8 Cb 0.00 -2.04 -0.14 0.00 0.11 0.00 0.00 30.24 28.17 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 -4.05 2.01 0.13 -1.09 1.02 -1.26 -0.64 119.74 115.86 1spk s LYS 9 Ca 0.62 -1.00 0.06 0.00 0.02 0.00 0.00 55.97 55.67 1spk s LYS 9 Cb -0.21 -2.11 -0.04 0.00 -0.52 0.00 0.00 37.83 34.95 1spk s LYS 9 CO 0.64 0.54 -0.14 0.14 -0.92 0.00 0.00 175.35 175.61 1spk s VAL 10 N -0.82 1.32 -0.09 3.17 -7.23 -0.92 -2.04 120.40 113.79 1spk s VAL 10 Ca 0.13 -1.75 0.05 0.00 -1.81 0.00 0.00 61.98 58.59 1spk s VAL 10 Cb -0.10 -1.56 -0.00 0.00 0.56 0.00 0.00 36.38 35.27 1spk s VAL 10 CO 0.03 -0.44 -0.24 -0.75 -0.31 0.00 0.00 175.10 173.38 1spk s LYS 11 N -2.76 2.89 -0.00 4.82 2.20 0.19 -2.13 119.74 124.94 1spk s LYS 11 Ca 0.10 -0.88 -0.30 0.00 -0.36 0.00 0.00 55.97 54.52 1spk s LYS 11 Cb -0.04 -2.26 -0.04 0.00 -1.51 0.00 0.00 37.83 33.98 1spk s LYS 11 CO 0.03 0.25 1.15 0.95 -0.36 0.00 0.00 175.35 177.36 1spk s THR 12 N 0.17 4.32 -1.33 3.43 -4.23 -1.13 -0.41 115.64 116.46 1spk s THR 12 Ca -0.14 1.66 0.23 0.00 -1.18 0.00 0.00 61.69 62.26 1spk s THR 12 Cb -0.17 -4.06 -0.05 0.00 1.34 0.00 0.00 72.50 69.56 1spk s THR 12 CO 0.07 0.07 1.17 2.30 -0.54 0.00 0.00 174.62 177.69 1spk n ILE 13 N 4.21 0.00 -3.82 2.99 -5.35 -1.18 -0.68 119.36 115.53 1spk n ILE 13 Ca 0.09 -0.07 -0.12 0.00 -0.27 0.00 0.00 62.75 62.38 1spk n ILE 13 Cb 0.47 0.78 -0.10 0.00 -1.74 0.00 0.00 39.64 39.05 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 -2.82 -0.09 0.50 4.28 0.08 -1.26 -4.92 117.98 113.76 1spk s PHE 14 Ca 0.13 0.15 -0.20 0.00 0.12 0.00 0.00 56.93 57.14 1spk s PHE 14 Cb 0.17 0.02 -0.08 0.00 -0.57 0.00 0.00 43.02 42.57 1spk s PHE 14 CO 0.71 -0.27 1.04 -1.25 -0.10 0.00 0.00 175.22 175.35 1spk s PRO 15 N -1.00 3.75 -0.47 0.24 0.04 -1.26 -4.41 135.00 131.89 1spk s PRO 15 Ca -0.11 1.34 0.04 0.00 0.04 0.00 0.00 61.00 62.31 1spk s PRO 15 Cb -0.06 -2.09 0.19 0.00 0.04 0.00 0.00 34.50 32.59 1spk s PRO 15 CO 0.02 -0.47 0.78 -1.58 0.04 0.00 0.00 177.00 175.80 1spk s HIS 16 N -2.04 -1.39 0.22 0.56 2.46 -1.25 -4.96 115.29 108.89 1spk s HIS 16 Ca 0.67 -0.34 -0.23 0.00 0.47 0.00 0.00 55.06 55.63 1spk s HIS 16 Cb -0.16 0.27 -0.08 0.00 -0.13 0.00 0.00 32.58 32.47 1spk s HIS 16 CO 0.22 -1.06 0.78 0.99 -2.47 0.00 0.00 174.74 173.20 1spk s THR 17 N 1.08 4.44 -0.05 0.89 2.01 -1.26 -4.03 115.64 118.72 1spk s THR 17 Ca 0.26 1.52 -0.20 0.00 0.31 0.00 0.00 61.69 63.59 1spk s THR 17 Cb 0.02 -3.98 -0.14 0.00 0.01 0.00 0.00 72.50 68.40 1spk s THR 17 CO -0.07 0.30 0.81 0.00 -0.69 0.00 0.00 174.62 174.98 1spk h ALA 18 N 3.67 -0.25 0.00 7.40 0.00 -1.78 -3.48 119.26 124.82 1spk h ALA 18 Ca -0.47 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1spk h ALA 18 Cb 1.20 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1spk h ALA 18 CO 0.65 -0.31 0.00 0.41 0.00 0.00 0.00 179.25 180.00 1spk n GLY 19 N 0.63 2.60 1.98 0.00 0.00 -1.26 -4.26 105.19 104.88 1spk n GLY 19 Ca -0.07 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 2.68 -0.04 -4.42 1.61 5.15 -1.26 -5.09 115.26 113.88 1spk n ASN 20 Ca 0.00 0.13 -0.49 0.00 -0.60 0.00 0.00 54.58 53.62 1spk n ASN 20 Cb 0.00 0.11 -0.04 0.00 -0.53 0.00 0.00 39.78 39.32 1spk n ASN 20 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1spk n ASN 21 N -2.77 -0.98 -1.50 1.20 2.85 -1.26 -4.83 115.26 107.96 1spk n ASN 21 Ca 0.00 1.14 0.08 0.00 -0.11 0.00 0.00 54.58 55.68 1spk n ASN 21 Cb 0.01 -0.96 0.35 0.00 1.24 0.00 0.00 39.78 40.41 1spk n ASN 21 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1spk n LYS 22 N 1.07 4.07 -0.08 1.20 0.00 -1.26 -4.41 118.16 118.74 1spk n LYS 22 Ca 0.18 -2.99 -0.17 0.00 -0.00 0.00 0.00 58.31 55.34 1spk n LYS 22 Cb 0.23 -2.05 -0.06 0.00 -0.00 0.00 0.00 35.03 33.16 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 0.37 1.06 -2.37 0.58 -2.24 -1.26 -4.97 114.28 105.45 1spk n THR 23 Ca 0.25 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.46 1spk n THR 23 Cb 1.03 -1.81 -0.03 0.00 -2.10 0.00 0.00 70.33 67.42 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 -7.08 4.39 0.25 3.22 1.43 -1.26 -1.11 118.68 118.50 1spk s LEU 24 Ca -0.24 2.11 -0.30 0.00 -1.03 0.00 0.00 54.13 54.68 1spk s LEU 24 Cb 0.08 -3.59 -0.09 0.00 0.03 0.00 0.00 46.19 42.63 1spk s LEU 24 CO 0.31 -0.48 1.19 -0.22 0.23 0.00 0.00 176.35 177.37 1spk s LEU 25 N 0.83 4.48 -0.26 1.79 2.96 -1.12 -4.47 118.68 122.89 1spk s LEU 25 Ca 0.59 2.34 -0.08 0.00 -0.22 0.00 0.00 54.13 56.76 1spk s LEU 25 Cb -0.31 -3.62 -0.03 0.00 0.50 0.00 0.00 46.19 42.72 1spk s LEU 25 CO 0.31 -0.33 0.10 -0.94 -1.32 0.00 0.00 176.35 174.16 1spk s SER 26 N -0.32 5.33 0.33 3.68 1.04 -1.26 -4.30 113.70 118.20 1spk s SER 26 Ca 0.49 -0.18 -0.14 0.00 0.48 0.00 0.00 55.95 56.60 1spk s SER 26 Cb -0.34 -1.97 0.03 0.00 0.10 0.00 0.00 66.02 63.84 1spk s SER 26 CO 0.41 -0.04 0.67 0.72 0.98 0.00 0.00 173.24 175.98 1spk s PHE 27 N 1.65 0.24 0.02 5.02 -0.12 -1.26 -4.96 117.98 118.57 1spk s PHE 27 Ca 0.06 -0.74 0.05 0.00 -0.05 0.00 0.00 56.93 56.25 1spk s PHE 27 Cb -0.15 0.55 -0.03 0.00 -0.63 0.00 0.00 43.02 42.75 1spk s PHE 27 CO 0.05 -1.32 -0.12 0.00 -0.05 0.00 0.00 175.22 173.78 1spk s ALA 28 N -3.10 2.82 -0.19 1.99 0.00 -1.26 -3.78 121.76 118.23 1spk s ALA 28 Ca 0.18 -1.10 -0.39 0.00 0.00 0.00 0.00 51.96 50.65 1spk s ALA 28 Cb -0.04 -0.95 -0.16 0.00 0.00 0.00 0.00 23.12 21.98 1spk s ALA 28 CO 0.11 0.59 1.66 0.94 0.00 0.00 0.00 175.76 179.07 1spk n GLN 29 N 1.57 1.21 0.00 0.00 7.27 -1.26 -0.92 117.38 125.25 1spk n GLN 29 Ca -0.16 0.44 0.00 0.00 0.07 0.00 0.00 57.00 57.36 1spk n GLN 29 Cb 0.52 -2.13 0.00 0.00 2.41 0.00 0.00 30.24 31.05 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 3.84 0.95 3.51 1.69 0.00 0.14 -4.98 105.19 110.33 1spk n GLY 30 Ca 0.24 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 0.01 -0.69 -4.50 1.61 9.92 -0.09 -4.58 116.55 118.24 1spk n ASP 31 Ca 0.00 0.61 -0.33 0.00 -0.53 0.00 0.00 54.79 54.53 1spk n ASP 31 Cb 0.00 -1.28 -0.12 0.00 -0.64 0.00 0.00 41.12 39.08 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 -1.91 3.56 -0.03 2.53 1.01 -1.26 -2.84 120.40 121.45 1spk s VAL 32 Ca 0.68 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 62.22 1spk s VAL 32 Cb -0.34 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 1spk s VAL 32 CO 0.56 0.55 -0.23 -0.76 0.00 0.00 0.00 175.10 175.21 1spk s LEU 33 N -0.14 2.04 -0.22 3.92 1.43 -0.90 -3.03 118.68 121.78 1spk s LEU 33 Ca 0.01 -0.44 -0.16 0.00 -1.03 0.00 0.00 54.13 52.51 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 0.26 0.42 -0.89 0.23 0.00 0.00 176.35 176.40 1spk s THR 34 N -0.37 5.17 0.57 5.49 2.01 0.36 -2.17 115.64 126.69 1spk s THR 34 Ca 0.04 0.74 -0.18 0.00 0.31 0.00 0.00 61.69 62.59 1spk s THR 34 Cb -0.11 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.61 1spk s THR 34 CO 0.01 0.20 1.12 -0.76 -0.69 0.00 0.00 174.62 174.50 1spk s LEU 35 N 1.61 3.67 0.00 4.42 1.02 0.18 0.19 118.68 129.77 1spk s LEU 35 Ca 0.19 2.13 0.00 0.00 0.02 0.00 0.00 54.13 56.47 1spk s LEU 35 Cb -0.15 -4.57 0.00 0.00 0.02 0.00 0.00 46.19 41.49 1spk s LEU 35 CO 0.09 -1.29 0.00 0.18 0.02 0.00 0.00 176.35 175.34 1spk n LEU 36 N -1.53 1.43 -4.78 1.79 4.77 -1.23 -4.41 117.00 113.04 1spk n LEU 36 Ca 0.11 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.73 1spk n LEU 36 Cb 0.51 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 1spk n LEU 36 CO 0.43 0.21 -0.22 0.27 -1.33 0.00 0.00 177.39 176.75 1spk s ILE 37 N -1.93 5.05 -0.71 -0.08 -4.36 -1.26 -4.86 121.20 113.05 1spk s ILE 37 Ca 0.00 0.04 0.24 0.00 -0.26 0.00 0.00 60.65 60.67 1spk s ILE 37 Cb 0.00 -3.20 0.24 0.00 1.25 0.00 0.00 42.46 40.75 1spk s ILE 37 CO 0.00 0.58 1.73 -0.81 0.24 0.00 0.00 174.94 176.68 1spk n PRO 38 N 2.38 0.17 -2.98 0.37 -0.04 -1.26 -4.79 135.00 128.84 1spk n PRO 38 Ca -0.19 0.27 -0.20 0.00 -0.04 0.00 0.00 63.50 63.34 1spk n PRO 38 Cb 0.54 -1.75 0.06 0.00 -0.04 0.00 0.00 33.50 32.31 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 -3.15 2.30 0.01 0.54 2.56 -1.26 -5.13 118.70 114.57 1spk s GLU 39 Ca 0.08 -1.52 0.03 0.00 0.00 0.00 0.00 54.97 53.56 1spk s GLU 39 Cb 0.12 -2.63 -0.01 0.00 2.00 0.00 0.00 34.13 33.61 1spk s GLU 39 CO 0.47 -0.85 -0.11 -1.83 -0.56 0.00 0.00 175.26 172.38 1spk s GLU 40 N -4.68 0.81 -1.31 4.30 1.03 -1.26 -4.64 118.70 112.95 1spk s GLU 40 Ca 0.61 -0.50 -0.13 0.00 0.03 0.00 0.00 54.97 54.99 1spk s GLU 40 Cb -0.06 -0.78 -0.05 0.00 -0.80 0.00 0.00 34.13 32.44 1spk s GLU 40 CO 0.39 0.20 2.40 1.17 -1.33 0.00 0.00 175.26 178.09 1spk n LYS 41 N 2.45 2.77 -3.15 -4.83 4.81 0.52 -4.35 118.16 116.38 1spk n LYS 41 Ca -0.16 -2.15 -0.06 0.00 -0.87 0.00 0.00 58.31 55.06 1spk n LYS 41 Cb 0.56 -2.93 0.03 0.00 0.02 0.00 0.00 35.03 32.71 1spk n LYS 41 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1spk n ASP 42 N 5.20 -7.31 0.00 3.14 9.92 -1.26 -2.97 116.55 123.28 1spk n ASP 42 Ca 0.59 -0.34 0.00 0.00 -0.53 0.00 0.00 54.79 54.51 1spk n ASP 42 Cb 0.30 -5.25 0.00 0.00 -0.64 0.00 0.00 41.12 35.53 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 -1.55 2.41 3.77 0.44 0.00 -1.26 -5.00 105.19 104.01 1spk n GLY 43 Ca -0.03 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.45 3.08 0.10 1.61 0.52 -1.16 -1.65 118.94 121.01 1spk s TRP 44 Ca 0.00 1.59 0.08 0.00 0.02 0.00 0.00 56.10 57.79 1spk s TRP 44 Cb 0.00 -3.28 -0.04 0.00 -1.15 0.00 0.00 33.47 29.01 1spk s TRP 44 CO 0.00 -1.09 -0.21 -0.51 0.02 0.00 0.00 176.95 175.16 1spk s LEU 45 N -2.75 2.31 0.23 2.99 1.43 0.32 0.19 118.68 123.40 1spk s LEU 45 Ca 0.60 -0.69 0.07 0.00 -1.03 0.00 0.00 54.13 53.07 1spk s LEU 45 Cb -0.26 -0.88 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 1spk s LEU 45 CO 0.32 0.05 0.16 -0.47 0.23 0.00 0.00 176.35 176.64 1spk s TYR 46 N -1.21 3.07 -0.02 0.29 5.04 -1.26 -1.99 117.35 121.28 1spk s TYR 46 Ca 0.07 -0.10 -0.09 0.00 -2.44 0.00 0.00 57.07 54.51 1spk s TYR 46 Cb -0.10 -1.40 0.03 0.00 0.35 0.00 0.00 41.96 40.84 1spk s TYR 46 CO 0.04 0.53 0.40 0.41 -1.34 0.00 0.00 175.55 175.59 1spk n GLY 47 N -0.95 0.41 3.39 8.97 0.00 -1.25 -3.48 105.19 112.29 1spk n GLY 47 Ca -0.08 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.75 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 2.18 0.10 1.61 2.12 0.51 -3.46 118.70 119.77 1spk s GLU 48 Ca 0.09 -0.89 -0.27 0.00 0.36 0.00 0.00 54.97 54.26 1spk s GLU 48 Cb -0.00 -2.16 -0.06 0.00 0.26 0.00 0.00 34.13 32.17 1spk s GLU 48 CO -0.01 0.57 0.86 -1.58 -0.54 0.00 0.00 175.26 174.56 1spk s HIS 49 N -0.73 3.81 -0.31 5.30 5.65 -0.31 -0.49 115.29 128.22 1spk s HIS 49 Ca 0.11 1.66 -0.03 0.00 0.25 0.00 0.00 55.06 57.06 1spk s HIS 49 Cb -0.10 -2.92 0.08 0.00 -1.18 0.00 0.00 32.58 28.45 1spk s HIS 49 CO 0.01 0.29 2.52 -3.47 -0.65 0.00 0.00 174.74 173.44 1spk n ASP 50 N 2.54 6.23 0.00 9.88 -0.08 -1.17 -2.84 116.55 131.11 1spk n ASP 50 Ca -0.01 -3.00 0.00 0.00 -1.51 0.00 0.00 54.79 50.27 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 0.92 0.00 0.25 5.18 -1.04 -1.26 -4.92 114.28 113.41 1spk n THR 51 Ca 0.37 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.50 1spk n THR 51 Cb 0.61 -0.00 0.61 0.00 -1.82 0.00 0.00 70.33 69.73 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 0.52 0.00 12.58 1.35 -1.94 -3.45 112.91 121.97 1spk h THR 52 Ca 0.00 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 1spk h THR 52 Cb 0.00 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 1spk h THR 52 CO 0.00 0.16 0.00 0.29 -0.25 0.00 0.00 175.52 175.72 1spk n LYS 53 N -3.48 0.00 -3.58 4.72 4.76 -1.13 -4.99 118.16 114.46 1spk n LYS 53 Ca -0.01 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.21 1spk n LYS 53 Cb 0.33 -2.57 -0.01 0.00 -1.84 0.00 0.00 35.03 30.94 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 -3.69 3.87 -0.05 7.82 0.00 -1.26 -4.76 121.76 123.69 1spk s ALA 54 Ca 0.00 -1.13 0.06 0.00 0.00 0.00 0.00 51.96 50.89 1spk s ALA 54 Cb 0.00 -1.91 -0.02 0.00 0.00 0.00 0.00 23.12 21.20 1spk s ALA 54 CO 0.00 0.04 -0.23 1.03 0.00 0.00 0.00 175.76 176.60 1spk s ARG 55 N -4.19 2.46 0.00 0.00 0.52 -1.26 -1.16 118.95 115.31 1spk s ARG 55 Ca 0.39 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.73 1spk s ARG 55 Cb -0.09 -2.18 0.00 0.00 0.52 0.00 0.00 34.95 33.20 1spk s ARG 55 CO 0.33 0.46 0.00 0.41 0.02 0.00 0.00 175.30 176.52 1spk n GLY 56 N 2.74 4.16 3.49 -3.53 0.00 -1.22 -4.93 105.19 105.89 1spk n GLY 56 Ca -0.17 -1.84 -0.33 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.61 2.88 0.02 1.61 0.52 -0.27 -3.79 118.94 118.31 1spk s TRP 57 Ca 0.00 -0.26 -0.04 0.00 0.02 0.00 0.00 56.10 55.82 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 0.08 0.06 -0.59 0.02 0.00 0.00 176.95 176.52 1spk s PHE 58 N -0.21 0.18 -0.12 -1.98 -0.12 -0.84 -2.78 117.98 112.11 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 42.10 1spk s PHE 58 CO 0.03 -0.28 1.25 -1.25 -0.05 0.00 0.00 175.22 174.92 1spk s PRO 59 N -1.84 4.27 0.62 1.99 0.04 -1.26 0.12 135.00 138.93 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 -3.69 1.29 0.00 0.04 0.00 0.00 34.50 32.07 1spk s PRO 59 CO -0.01 -0.61 1.71 0.66 0.04 0.00 0.00 177.00 178.79 1spk h SER 60 N 7.96 0.00 0.33 6.66 4.64 -1.61 1.55 113.55 133.08 1spk h SER 60 Ca -0.30 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.90 1spk h SER 60 Cb 1.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1spk h SER 60 CO 0.94 0.00 -0.50 -1.28 -0.87 0.00 0.00 176.83 175.12 1spk h SER 61 N 0.00 0.22 -0.18 4.97 0.87 -1.90 -2.32 113.55 115.21 1spk h SER 61 Ca 0.20 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1spk h SER 61 Cb 1.46 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.36 1spk h SER 61 CO -0.00 0.68 0.00 -1.22 -0.53 0.00 0.00 176.83 175.76 1spk n TYR 62 N -3.95 0.27 -3.90 2.24 4.02 0.53 -4.81 117.16 111.56 1spk n TYR 62 Ca -0.02 -0.13 -0.10 0.00 -0.01 0.00 0.00 57.90 57.64 1spk n TYR 62 Cb 0.54 -0.02 -0.10 0.00 -0.02 0.00 0.00 39.34 39.74 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 -1.72 0.11 0.13 -0.72 -4.23 -0.87 -3.10 115.64 105.23 1spk s THR 63 Ca 0.12 -0.91 0.05 0.00 -1.18 0.00 0.00 61.69 59.76 1spk s THR 63 Cb 0.07 -0.67 -0.04 0.00 1.34 0.00 0.00 72.50 73.19 1spk s THR 63 CO 0.08 -0.50 -0.11 -0.54 -0.54 0.00 0.00 174.62 173.00 1spk s LYS 64 N -2.06 0.99 0.08 3.99 1.02 0.45 -4.84 119.74 119.37 1spk s LYS 64 Ca -0.10 -1.30 -0.30 0.00 0.02 0.00 0.00 55.97 54.29 1spk s LYS 64 Cb -0.04 -0.68 -0.05 0.00 -0.52 0.00 0.00 37.83 36.53 1spk s LYS 64 CO -0.02 0.11 1.10 -0.51 -0.92 0.00 0.00 175.35 175.11 1spk s LEU 65 N -2.74 4.41 1.16 3.17 1.43 -1.26 0.52 118.68 125.37 1spk s LEU 65 Ca 0.11 1.92 -0.13 0.00 -1.03 0.00 0.00 54.13 55.00 1spk s LEU 65 Cb -0.01 -3.58 0.28 0.00 0.03 0.00 0.00 46.19 42.90 1spk s LEU 65 CO 0.01 -0.32 1.00 0.18 0.23 0.00 0.00 176.35 177.45 1spk n LEU 66 N 3.45 -1.21 -3.58 1.79 4.77 -0.87 -4.83 117.00 116.53 1spk n LEU 66 Ca 0.06 -0.13 -0.28 0.00 -0.03 0.00 0.00 56.01 55.63 1spk n LEU 66 Cb 0.48 -1.27 -0.11 0.00 -2.33 0.00 0.00 43.42 40.19 1spk n LEU 66 CO 0.54 -3.23 -0.24 -0.44 -1.33 0.00 0.00 177.39 172.69 1spk s SER 67 N -2.40 2.83 0.56 -1.43 0.01 -1.26 -5.05 113.70 106.95 1spk s SER 67 Ca 0.68 -3.04 0.08 0.00 1.31 0.00 0.00 55.95 54.99 1spk s SER 67 Cb -0.25 -0.82 0.07 0.00 0.21 0.00 0.00 66.02 65.23 1spk s SER 67 CO 0.65 -0.19 0.64 -0.83 0.41 0.00 0.00 173.24 173.92 1spk s GLY 68 N -0.08 1.98 0.07 3.44 0.00 -1.26 -5.04 107.32 106.42 1spk s GLY 68 Ca 0.26 -1.81 -0.15 0.00 0.00 0.00 0.00 44.72 43.03 1spk s GLY 68 CO -0.12 -1.78 1.22 -0.56 0.00 0.00 0.00 173.10 171.86 1spk h PRO 69 N 0.41 0.69 -5.28 2.90 0.13 -2.00 -3.49 132.00 125.36 1spk h PRO 69 Ca -0.33 -0.67 -0.00 0.00 -0.87 0.00 0.00 66.00 64.13 1spk h PRO 69 Cb 1.29 0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.60 1spk h PRO 69 CO 0.47 1.27 -0.96 0.43 -0.23 0.00 0.00 178.00 178.98 1spk n SER 70 N -3.95 -7.89 -3.11 1.44 7.64 -1.26 -4.46 113.62 102.03 1spk n SER 70 Ca -0.10 1.25 -0.10 0.00 1.01 0.00 0.00 58.87 60.94 1spk n SER 70 Cb 0.80 -4.99 0.01 0.00 -1.01 0.00 0.00 64.21 59.02 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 0.66 -6.85 0.00 6.43 7.64 -1.26 -5.32 113.62 114.92 1spk n SER 71 Ca 0.01 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.43 1spk n SER 71 Cb 0.10 -2.97 0.00 0.00 -1.01 0.00 0.00 64.21 60.32 1spk n SER 71 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64