#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2akk s SER 2 N 0.00 0.07 -0.70 7.83 0.01 -1.26 -5.05 113.70 114.60 2akk s SER 2 Ca 0.00 -0.21 0.01 0.00 1.31 0.00 0.00 55.95 57.06 2akk s SER 2 Cb 0.00 0.17 0.37 0.00 0.21 0.00 0.00 66.02 66.77 2akk s SER 2 CO 0.00 -0.27 1.65 2.30 0.41 0.00 0.00 173.24 177.33 2akk n ILE 3 N 1.88 3.22 -1.93 1.44 -5.35 -1.26 -4.99 119.36 112.37 2akk n ILE 3 Ca -0.21 -4.63 -0.37 0.00 -0.27 0.00 0.00 62.75 57.27 2akk n ILE 3 Cb 0.56 -1.27 -0.03 0.00 -1.74 0.00 0.00 39.64 37.16 2akk n ILE 3 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2akk s GLU 4 N -3.87 2.50 -0.07 6.28 2.02 -1.26 -4.71 118.70 119.58 2akk s GLU 4 Ca 0.50 0.73 -0.28 0.00 0.02 0.00 0.00 54.97 55.94 2akk s GLU 4 Cb 0.41 -4.47 -0.02 0.00 0.10 0.00 0.00 34.13 30.15 2akk s GLU 4 CO -0.32 -2.90 0.91 0.08 0.02 0.00 0.00 175.26 173.05 2akk s VAL 5 N 9.86 4.88 0.18 2.63 1.01 -1.26 -4.96 120.40 132.73 2akk s VAL 5 Ca 0.74 1.87 0.06 0.00 0.00 0.00 0.00 61.98 64.65 2akk s VAL 5 Cb -0.13 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 2akk s VAL 5 CO 0.21 0.11 -0.11 -0.13 0.00 0.00 0.00 175.10 175.18 2akk s ARG 6 N 1.43 1.19 0.32 2.72 0.52 -1.26 -0.85 118.95 123.03 2akk s ARG 6 Ca 0.46 -1.53 -0.05 0.00 -0.52 0.00 0.00 55.73 54.09 2akk s ARG 6 Cb -0.19 -0.83 0.08 0.00 0.52 0.00 0.00 34.95 34.53 2akk s ARG 6 CO 0.21 0.10 0.35 -0.40 0.02 0.00 0.00 175.30 175.58 2akk n ASP 7 N -0.29 -0.66 -0.12 0.23 5.75 -0.44 -4.85 116.55 116.17 2akk n ASP 7 Ca -0.09 -0.91 0.15 0.00 -0.01 0.00 0.00 54.79 53.94 2akk n ASP 7 Cb 0.61 -0.29 0.54 0.00 -1.03 0.00 0.00 41.12 40.94 2akk n ASP 7 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2akk h ASN 9 N 0.34 0.00 0.00 0.00 2.35 -1.91 -3.49 115.58 112.87 2akk h ASN 9 Ca 0.33 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 2akk h ASN 9 Cb 0.80 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.17 2akk h ASN 9 CO -0.09 0.55 0.00 0.61 -1.65 0.00 0.00 177.43 176.85 2akk n GLY 10 N 1.75 0.00 3.70 2.83 0.00 -1.14 -5.14 105.19 107.20 2akk n GLY 10 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 2akk n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2akk s ALA 11 N 0.00 3.43 0.25 4.61 0.00 -1.26 -4.77 121.76 124.02 2akk s ALA 11 Ca 0.00 -0.05 -0.30 0.00 0.00 0.00 0.00 51.96 51.61 2akk s ALA 11 Cb 0.00 -2.88 -0.09 0.00 0.00 0.00 0.00 23.12 20.14 2akk s ALA 11 CO 0.00 -0.20 1.22 -0.51 0.00 0.00 0.00 175.76 176.27 2akk s LEU 12 N 1.06 4.47 0.45 0.00 1.43 -1.26 -1.32 118.68 123.50 2akk s LEU 12 Ca 0.32 2.40 0.07 0.00 -1.03 0.00 0.00 54.13 55.89 2akk s LEU 12 Cb -0.16 -3.62 -0.00 0.00 0.03 0.00 0.00 46.19 42.43 2akk s LEU 12 CO 0.14 -0.38 0.40 -0.76 0.23 0.00 0.00 176.35 175.98 2akk s LEU 13 N -0.95 3.22 0.29 1.79 1.43 -0.03 -4.95 118.68 119.48 2akk s LEU 13 Ca 0.50 -0.88 -0.19 0.00 -1.03 0.00 0.00 54.13 52.53 2akk s LEU 13 Cb -0.35 -1.81 0.05 0.00 0.03 0.00 0.00 46.19 44.11 2akk s LEU 13 CO 0.42 -0.78 0.84 0.00 0.23 0.00 0.00 176.35 177.06 2akk s ALA 14 N -2.55 -1.13 -0.12 4.21 0.00 -1.26 -4.77 121.76 116.14 2akk s ALA 14 Ca 0.46 -0.45 -0.29 0.00 0.00 0.00 0.00 51.96 51.67 2akk s ALA 14 Cb -0.03 0.73 -0.05 0.00 0.00 0.00 0.00 23.12 23.77 2akk s ALA 14 CO 0.27 -1.02 1.76 0.34 0.00 0.00 0.00 175.76 177.11 2akk s ASP 15 N -3.07 6.38 0.00 0.00 2.15 -1.26 -1.98 116.67 118.89 2akk s ASP 15 Ca 0.15 2.06 0.00 0.00 0.43 0.00 0.00 52.55 55.19 2akk s ASP 15 Cb -0.04 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 2akk s ASP 15 CO 0.08 -1.19 0.00 0.61 -0.17 0.00 0.00 175.17 174.50 2akk n GLY 16 N 4.58 1.07 3.97 2.66 0.00 0.11 -4.98 105.19 112.60 2akk n GLY 16 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 2akk n GLY 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2akk s ASP 17 N -2.00 4.51 0.02 1.61 -1.08 -0.84 -4.66 116.67 114.23 2akk s ASP 17 Ca 0.00 -0.10 0.02 0.00 -0.52 0.00 0.00 52.55 51.95 2akk s ASP 17 Cb 0.00 -0.40 -0.01 0.00 -1.46 0.00 0.00 42.92 41.05 2akk s ASP 17 CO 0.00 -1.75 -0.08 0.54 0.52 0.00 0.00 175.17 174.40 2akk s ASN 18 N -4.65 0.92 0.33 -0.34 2.20 -1.26 -0.36 114.94 111.79 2akk s ASN 18 Ca 0.64 -0.30 0.04 0.00 -0.94 0.00 0.00 52.86 52.30 2akk s ASN 18 Cb -0.07 -0.05 -0.03 0.00 -2.00 0.00 0.00 41.25 39.09 2akk s ASN 18 CO 0.44 -0.01 0.17 0.68 -2.94 0.00 0.00 177.10 175.44 2akk s VAL 19 N -0.63 0.35 0.09 3.54 -7.23 0.61 -0.61 120.40 116.52 2akk s VAL 19 Ca -0.01 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 57.99 2akk s VAL 19 Cb -0.06 -2.48 0.03 0.00 0.56 0.00 0.00 36.38 34.44 2akk s VAL 19 CO 0.00 0.00 0.40 -0.44 -0.31 0.00 0.00 175.10 174.75 2akk s SER 20 N -3.43 -0.24 0.09 4.85 0.01 0.89 -0.17 113.70 115.70 2akk s SER 20 Ca 0.34 -0.20 -0.31 0.00 1.31 0.00 0.00 55.95 57.09 2akk s SER 20 Cb 0.04 0.45 -0.07 0.00 0.21 0.00 0.00 66.02 66.65 2akk s SER 20 CO 0.18 -0.77 1.36 -0.76 0.41 0.00 0.00 173.24 173.67 2akk s LEU 21 N -2.47 4.36 0.00 2.44 2.01 0.64 -0.19 118.68 125.46 2akk s LEU 21 Ca -0.00 2.24 0.25 0.00 0.01 0.00 0.00 54.13 56.63 2akk s LEU 21 Cb 0.01 -3.58 0.55 0.00 0.01 0.00 0.00 46.19 43.18 2akk s LEU 21 CO -0.08 -0.64 1.44 2.30 1.01 0.00 0.00 176.35 180.38 2akk n ILE 22 N 4.07 0.00 -3.85 -0.59 -5.35 -0.90 -2.22 119.36 110.52 2akk n ILE 22 Ca 0.11 -0.17 -0.06 0.00 -0.27 0.00 0.00 62.75 62.36 2akk n ILE 22 Cb 0.43 0.65 0.02 0.00 -1.74 0.00 0.00 39.64 39.00 2akk n ILE 22 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 2akk s LYS 23 N -2.48 1.79 -0.45 6.28 -2.85 -1.26 -4.94 119.74 115.83 2akk s LYS 23 Ca 0.23 -1.16 -0.24 0.00 -1.00 0.00 0.00 55.97 53.80 2akk s LYS 23 Cb 0.19 0.50 0.03 0.00 -2.06 0.00 0.00 37.83 36.48 2akk s LYS 23 CO 0.53 -0.84 0.84 -0.51 0.10 0.00 0.00 175.35 175.47 2akk s ASP 24 N -3.26 6.45 -0.24 0.03 1.01 -1.26 -2.87 116.67 116.53 2akk s ASP 24 Ca 0.19 -0.01 -0.05 0.00 0.71 0.00 0.00 52.55 53.38 2akk s ASP 24 Cb -0.04 -2.41 -0.01 0.00 1.01 0.00 0.00 42.92 41.47 2akk s ASP 24 CO 0.09 -0.97 0.01 -0.76 0.21 0.00 0.00 175.17 173.75 2akk s LEU 25 N 3.47 3.24 -0.14 1.23 2.01 0.13 -4.93 118.68 123.69 2akk s LEU 25 Ca 0.33 -0.42 -0.08 0.00 0.01 0.00 0.00 54.13 53.97 2akk s LEU 25 Cb -0.11 -1.81 -0.04 0.00 0.01 0.00 0.00 46.19 44.23 2akk s LEU 25 CO 0.24 -0.06 0.14 -0.75 1.01 0.00 0.00 176.35 176.93 2akk s LYS 26 N 1.52 3.68 0.35 1.70 2.36 -1.26 0.07 119.74 128.15 2akk s LYS 26 Ca 0.05 -0.16 -0.25 0.00 -2.55 0.00 0.00 55.97 53.06 2akk s LYS 26 Cb -0.15 -3.26 -0.10 0.00 -1.05 0.00 0.00 37.83 33.27 2akk s LYS 26 CO -0.00 0.63 0.98 -1.17 1.55 0.00 0.00 175.35 177.33 2akk s LEU 27 N -0.59 4.26 -0.17 5.43 0.20 0.73 -4.95 118.68 123.58 2akk s LEU 27 Ca 0.13 1.89 -0.23 0.00 0.69 0.00 0.00 54.13 56.61 2akk s LEU 27 Cb -0.12 -4.10 -0.20 0.00 -0.43 0.00 0.00 46.19 41.34 2akk s LEU 27 CO 0.02 -0.21 0.43 0.50 -0.29 0.00 0.00 176.35 176.81 2akk h LYS 28 N 2.90 0.00 -0.39 1.98 3.64 -1.98 -3.35 116.57 119.37 2akk h LYS 28 Ca -0.47 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 58.98 2akk h LYS 28 Cb 1.20 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.94 2akk h LYS 28 CO 0.64 0.89 -0.08 0.78 -2.27 0.00 0.00 179.45 179.41 2akk h GLY 29 N -1.00 0.30 -4.82 5.01 0.00 -2.00 -3.41 103.07 97.14 2akk h GLY 29 Ca -0.15 0.12 -0.41 0.00 0.00 0.00 0.00 47.33 46.88 2akk h GLY 29 CO -0.09 -0.14 -0.78 -0.56 0.00 0.00 0.00 176.54 174.96 2akk s SER 30 N -5.22 1.43 -0.94 0.19 0.01 -1.26 -5.05 113.70 102.85 2akk s SER 30 Ca -0.14 -0.41 -0.22 0.00 1.31 0.00 0.00 55.95 56.49 2akk s SER 30 Cb 0.14 -0.09 -0.13 0.00 0.21 0.00 0.00 66.02 66.15 2akk s SER 30 CO 0.71 0.01 1.92 -1.54 0.41 0.00 0.00 173.24 174.75 2akk n SER 31 N 2.02 2.76 -4.31 2.44 3.41 -1.26 -4.29 113.62 114.39 2akk n SER 31 Ca -0.18 -2.69 -0.40 0.00 -0.26 0.00 0.00 58.87 55.34 2akk n SER 31 Cb 0.55 -1.38 -0.10 0.00 -0.26 0.00 0.00 64.21 63.02 2akk n SER 31 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2akk s THR 32 N 7.71 4.39 -0.50 6.66 2.01 -1.26 -4.95 115.64 129.71 2akk s THR 32 Ca 0.62 -1.18 -0.21 0.00 0.31 0.00 0.00 61.69 61.24 2akk s THR 32 Cb 0.08 -3.59 0.04 0.00 0.01 0.00 0.00 72.50 69.04 2akk s THR 32 CO 0.13 -0.40 0.70 -0.69 -0.69 0.00 0.00 174.62 173.67 2akk s VAL 33 N 1.48 4.75 -0.66 3.82 1.01 -1.26 -0.19 120.40 129.34 2akk s VAL 33 Ca 0.02 -0.13 -0.20 0.00 0.00 0.00 0.00 61.98 61.68 2akk s VAL 33 Cb -0.22 -4.33 0.10 0.00 0.00 0.00 0.00 36.38 31.94 2akk s VAL 33 CO 0.04 -0.81 0.84 -0.76 0.00 0.00 0.00 175.10 174.41 2akk s LEU 34 N 2.99 5.07 0.86 3.92 1.43 0.11 -4.94 118.68 128.12 2akk s LEU 34 Ca 0.21 -1.40 -0.11 0.00 -1.03 0.00 0.00 54.13 51.80 2akk s LEU 34 Cb -0.16 -2.35 0.11 0.00 0.03 0.00 0.00 46.19 43.82 2akk s LEU 34 CO 0.16 -1.20 1.09 -0.54 0.23 0.00 0.00 176.35 176.09 2akk s LYS 35 N 3.06 1.54 0.25 1.70 -0.14 -1.26 0.18 119.74 125.06 2akk s LYS 35 Ca 0.18 1.02 -0.31 0.00 -1.36 0.00 0.00 55.97 55.49 2akk s LYS 35 Cb -0.19 -1.83 -0.12 0.00 -1.68 0.00 0.00 37.83 34.01 2akk s LYS 35 CO 0.05 -2.10 1.66 -2.13 -0.76 0.00 0.00 175.35 172.07 2akk n ARG 36 N -3.82 2.72 0.00 1.68 0.63 -1.14 -2.30 116.66 114.45 2akk n ARG 36 Ca 0.08 0.98 0.00 0.00 -0.92 0.00 0.00 57.85 57.99 2akk n ARG 36 Cb 0.54 -2.79 0.00 0.00 0.45 0.00 0.00 32.46 30.66 2akk n ARG 36 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2akk n GLY 37 N 3.06 2.02 3.68 5.14 0.00 -0.94 -4.97 105.19 113.19 2akk n GLY 37 Ca 0.12 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.68 2akk n GLY 37 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2akk n THR 38 N -1.33 0.51 -3.61 2.61 -1.04 -0.97 -4.68 114.28 105.78 2akk n THR 38 Ca 0.00 -0.09 -0.38 0.00 -2.04 0.00 0.00 64.05 61.54 2akk n THR 38 Cb 0.00 -1.91 -0.11 0.00 -1.82 0.00 0.00 70.33 66.49 2akk n THR 38 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 2akk s MET 39 N 3.57 3.95 -0.65 -2.82 1.75 -1.26 -0.26 119.30 123.57 2akk s MET 39 Ca 0.89 -0.32 -0.05 0.00 -1.25 0.00 0.00 55.69 54.96 2akk s MET 39 Cb -0.64 -3.63 0.17 0.00 2.84 0.00 0.00 34.83 33.57 2akk s MET 39 CO 0.47 -0.16 0.49 0.42 -0.65 0.00 0.00 175.02 175.60 2akk s ILE 40 N 1.69 4.09 -0.14 10.11 1.01 0.77 -4.65 121.20 134.08 2akk s ILE 40 Ca 0.07 -2.80 -0.07 0.00 0.00 0.00 0.00 60.65 57.85 2akk s ILE 40 Cb -0.16 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 2akk s ILE 40 CO 0.10 -0.90 0.09 0.00 0.00 0.00 0.00 174.94 174.24 2akk s ARG 41 N 0.06 3.62 0.00 2.79 1.04 -1.21 -0.29 118.95 124.96 2akk s ARG 41 Ca 0.16 -0.25 0.00 0.00 -1.04 0.00 0.00 55.73 54.61 2akk s ARG 41 Cb -0.19 -3.16 0.00 0.00 -2.04 0.00 0.00 34.95 29.56 2akk s ARG 41 CO -0.04 0.56 0.00 0.41 -0.04 0.00 0.00 175.30 176.19 2akk n GLY 42 N 2.65 0.55 3.98 3.88 0.00 0.12 -4.27 105.19 112.10 2akk n GLY 42 Ca -0.18 -0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 2akk n GLY 42 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2akk s ILE 43 N -1.12 4.02 0.05 -0.61 -5.25 0.52 -3.37 121.20 115.44 2akk s ILE 43 Ca 0.00 -1.03 -0.03 0.00 -0.99 0.00 0.00 60.65 58.60 2akk s ILE 43 Cb 0.00 -3.39 -0.03 0.00 2.95 0.00 0.00 42.46 42.00 2akk s ILE 43 CO 0.00 -0.16 0.04 0.00 -1.79 0.00 0.00 174.94 173.03 2akk s ARG 44 N -4.16 0.64 0.22 0.37 1.70 0.15 0.03 118.95 117.90 2akk s ARG 44 Ca 0.45 -1.04 -0.30 0.00 -0.47 0.00 0.00 55.73 54.37 2akk s ARG 44 Cb -0.09 0.24 -0.08 0.00 -0.57 0.00 0.00 34.95 34.44 2akk s ARG 44 CO 0.31 -0.15 1.00 -0.51 -1.08 0.00 0.00 175.30 174.87 2akk s LEU 45 N -2.68 4.58 0.00 -1.89 1.43 -1.26 -2.09 118.68 116.77 2akk s LEU 45 Ca 0.03 2.01 0.02 0.00 -1.03 0.00 0.00 54.13 55.16 2akk s LEU 45 Cb 0.05 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.67 2akk s LEU 45 CO -0.09 0.00 0.12 0.41 0.23 0.00 0.00 176.35 177.03 2akk n THR 46 N 1.78 0.00 -0.09 5.49 -1.04 -1.26 -4.88 114.28 114.27 2akk n THR 46 Ca -0.00 -0.52 0.01 0.00 -2.04 0.00 0.00 64.05 61.49 2akk n THR 46 Cb 0.47 -0.51 0.30 0.00 -1.82 0.00 0.00 70.33 68.77 2akk n THR 46 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2akk h ASP 47 N 0.13 0.66 -3.51 8.00 5.19 -1.96 -3.42 116.42 121.50 2akk h ASP 47 Ca -0.08 -0.05 -0.53 0.00 -0.62 0.00 0.00 57.03 55.75 2akk h ASP 47 Cb 0.31 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 39.62 2akk h ASP 47 CO 0.13 0.55 0.01 -0.44 -3.12 0.00 0.00 179.24 176.36 2akk s SER 48 N -6.57 6.83 0.00 6.45 0.01 -1.26 -4.97 113.70 114.19 2akk s SER 48 Ca -0.09 1.19 0.18 0.00 1.31 0.00 0.00 55.95 58.54 2akk s SER 48 Cb 0.17 -2.33 0.10 0.00 0.21 0.00 0.00 66.02 64.17 2akk s SER 48 CO 0.77 -0.03 1.02 -1.84 0.41 0.00 0.00 173.24 173.57 2akk n GLU 49 N 0.30 1.56 0.00 12.44 0.00 -1.26 -3.84 120.64 129.83 2akk n GLU 49 Ca -0.01 -1.37 0.12 0.00 0.00 0.00 0.00 57.16 55.90 2akk n GLU 49 Cb 0.52 -1.34 0.13 0.00 0.00 0.00 0.00 31.44 30.76 2akk n GLU 49 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2akk n ASP 50 N 0.69 1.48 -4.20 -1.84 2.03 -1.26 -4.31 116.55 109.15 2akk n ASP 50 Ca 0.10 -1.17 -0.13 0.00 0.52 0.00 0.00 54.79 54.10 2akk n ASP 50 Cb 0.43 0.40 -0.10 0.00 -0.72 0.00 0.00 41.12 41.12 2akk n ASP 50 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2akk s GLU 51 N -2.57 0.91 0.18 -0.67 2.02 -1.25 -0.51 118.70 116.81 2akk s GLU 51 Ca 0.19 -1.29 -0.01 0.00 0.02 0.00 0.00 54.97 53.89 2akk s GLU 51 Cb 0.18 -0.48 -0.04 0.00 0.10 0.00 0.00 34.13 33.89 2akk s GLU 51 CO 0.59 0.05 0.09 0.96 0.02 0.00 0.00 175.26 176.98 2akk s ILE 52 N -3.00 0.14 -0.10 -1.63 -4.36 0.59 -4.11 121.20 108.72 2akk s ILE 52 Ca 0.10 -1.97 0.03 0.00 -0.26 0.00 0.00 60.65 58.55 2akk s ILE 52 Cb 0.01 -2.34 0.01 0.00 1.25 0.00 0.00 42.46 41.38 2akk s ILE 52 CO -0.01 -0.18 -0.20 -0.70 0.24 0.00 0.00 174.94 174.09 2akk s GLU 53 N -4.09 2.62 0.03 0.37 -6.30 -0.89 0.53 118.70 110.97 2akk s GLU 53 Ca 0.33 -0.72 0.01 0.00 -2.50 0.00 0.00 54.97 52.09 2akk s GLU 53 Cb 0.07 -2.08 -0.00 0.00 0.00 0.00 0.00 34.13 32.12 2akk s GLU 53 CO 0.08 0.06 0.03 0.41 0.02 0.00 0.00 175.26 175.86 2akk n GLY 54 N 3.85 3.93 2.99 -1.50 0.00 -0.37 0.31 105.19 114.40 2akk n GLY 54 Ca -0.20 -1.71 -0.15 0.00 0.00 0.00 0.00 46.02 43.96 2akk n GLY 54 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2akk s ARG 55 N -2.14 0.47 0.07 1.61 1.70 -1.22 -0.77 118.95 118.67 2akk s ARG 55 Ca 0.04 -0.36 0.00 0.00 -0.47 0.00 0.00 55.73 54.94 2akk s ARG 55 Cb 0.00 -0.39 0.00 0.00 -0.57 0.00 0.00 34.95 34.00 2akk s ARG 55 CO 0.03 0.10 0.04 0.25 -1.08 0.00 0.00 175.30 174.63 2akk n THR 56 N 2.50 0.00 0.25 4.99 -2.24 0.13 -3.32 114.28 116.59 2akk n THR 56 Ca -0.16 -0.27 0.11 0.00 -2.27 0.00 0.00 64.05 61.47 2akk n THR 56 Cb 0.57 -0.34 0.66 0.00 -2.10 0.00 0.00 70.33 69.12 2akk n THR 56 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2akk h ASP 57 N 0.09 0.00 0.00 3.42 5.19 -1.97 -3.39 116.42 119.76 2akk h ASP 57 Ca -0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 2akk h ASP 57 Cb 0.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.66 2akk h ASP 57 CO 0.07 0.15 -0.10 1.17 -3.12 0.00 0.00 179.24 177.41 2akk n LYS 58 N -3.67 0.05 -2.85 3.56 4.81 -1.26 -5.00 118.16 113.79 2akk n LYS 58 Ca -0.02 0.02 -0.43 0.00 -0.87 0.00 0.00 58.31 57.02 2akk n LYS 58 Cb 0.27 -0.46 -0.04 0.00 0.02 0.00 0.00 35.03 34.82 2akk n LYS 58 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2akk s ILE 59 N -1.78 4.61 0.01 3.15 -1.09 -1.26 -5.03 121.20 119.80 2akk s ILE 59 Ca -0.03 1.02 -0.01 0.00 -2.23 0.00 0.00 60.65 59.40 2akk s ILE 59 Cb 0.00 -4.32 -0.04 0.00 -1.58 0.00 0.00 42.46 36.53 2akk s ILE 59 CO 0.04 -0.56 0.15 -1.59 -1.23 0.00 0.00 174.94 171.76 2akk s LYS 60 N 3.41 3.31 -0.85 2.79 -2.85 -1.26 0.19 119.74 124.48 2akk s LYS 60 Ca 0.36 -0.40 -0.01 0.00 -1.00 0.00 0.00 55.97 54.92 2akk s LYS 60 Cb -0.12 -3.01 0.00 0.00 -2.06 0.00 0.00 37.83 32.64 2akk s LYS 60 CO 0.19 0.65 0.72 0.41 0.10 0.00 0.00 175.35 177.43 2akk n GLY 61 N 0.89 -0.10 3.58 0.59 0.00 0.05 -4.94 105.19 105.25 2akk n GLY 61 Ca -0.10 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 2akk n GLY 61 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2akk s LEU 62 N -5.08 3.44 -0.31 0.99 2.34 -0.14 -4.87 118.68 115.07 2akk s LEU 62 Ca 0.09 -0.01 -0.18 0.00 0.06 0.00 0.00 54.13 54.09 2akk s LEU 62 Cb -0.04 -1.82 -0.01 0.00 -0.56 0.00 0.00 46.19 43.75 2akk s LEU 62 CO 0.50 0.24 0.54 -0.69 -1.06 0.00 0.00 176.35 175.88 2akk s VAL 63 N -0.06 5.02 0.03 1.48 1.01 -1.26 -1.23 120.40 125.39 2akk s VAL 63 Ca 0.03 0.66 0.06 0.00 0.00 0.00 0.00 61.98 62.73 2akk s VAL 63 Cb -0.13 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 2akk s VAL 63 CO 0.02 -0.08 -0.17 -0.76 0.00 0.00 0.00 175.10 174.11 2akk s LEU 64 N 2.41 2.13 0.26 3.92 1.43 0.19 -4.94 118.68 124.08 2akk s LEU 64 Ca 0.21 -0.44 -0.31 0.00 -1.03 0.00 0.00 54.13 52.56 2akk s LEU 64 Cb -0.15 -0.80 -0.12 0.00 0.03 0.00 0.00 46.19 45.15 2akk s LEU 64 CO 0.11 0.12 1.64 -2.11 0.23 0.00 0.00 176.35 176.35 2akk n ARG 65 N 2.07 2.72 -0.63 1.70 1.85 -1.26 -0.30 116.66 122.81 2akk n ARG 65 Ca -0.17 0.97 -0.12 0.00 -1.00 0.00 0.00 57.85 57.53 2akk n ARG 65 Cb 0.54 -2.78 0.08 0.00 -1.05 0.00 0.00 32.46 29.25 2akk n ARG 65 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 2akk n THR 66 N 2.77 2.17 0.03 8.89 5.66 0.34 -3.97 114.28 130.17 2akk n THR 66 Ca 0.11 -1.03 -0.11 0.00 -3.05 0.00 0.00 64.05 59.96 2akk n THR 66 Cb 0.36 -0.86 -0.14 0.00 -1.55 0.00 0.00 70.33 68.14 2akk n THR 66 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2akk h GLU 67 N 0.65 0.10 -0.23 1.09 5.08 -1.89 -3.20 114.58 116.18 2akk h GLU 67 Ca 0.30 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2akk h GLU 67 Cb 1.70 0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.01 2akk h GLU 67 CO 0.56 0.88 0.00 1.97 -1.00 0.00 0.00 179.01 181.42 2akk n PHE 68 N -3.29 0.59 -4.65 4.33 1.16 -1.25 -4.34 117.46 110.00 2akk n PHE 68 Ca -0.13 -0.74 -0.32 0.00 -1.87 0.00 0.00 57.45 54.39 2akk n PHE 68 Cb 1.02 -0.18 -0.12 0.00 -1.61 0.00 0.00 39.48 38.59 2akk n PHE 68 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2akk s LEU 69 N -2.10 2.95 -0.10 5.98 1.43 -1.26 -2.13 118.68 123.45 2akk s LEU 69 Ca 0.31 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 2akk s LEU 69 Cb 0.23 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.77 2akk s LEU 69 CO 0.09 0.31 -0.16 -0.75 0.23 0.00 0.00 176.35 176.08 2akk s LYS 70 N -1.10 3.06 -0.03 1.70 2.36 0.73 -0.68 119.74 125.78 2akk s LYS 70 Ca 0.14 -0.73 -0.30 0.00 -2.55 0.00 0.00 55.97 52.53 2akk s LYS 70 Cb -0.11 -2.49 -0.06 0.00 -1.05 0.00 0.00 37.83 34.12 2akk s LYS 70 CO 0.04 0.32 1.68 0.21 1.55 0.00 0.00 175.35 179.16 2akk s LYS 71 N 0.05 4.18 0.00 4.03 2.36 -1.26 -0.08 119.74 129.02 2akk s LYS 71 Ca -0.06 2.25 0.00 0.00 -2.55 0.00 0.00 55.97 55.61 2akk s LYS 71 Cb -0.15 -3.96 0.00 0.00 -1.05 0.00 0.00 37.83 32.67 2akk s LYS 71 CO 0.05 -0.84 0.35 0.00 1.55 0.00 0.00 175.35 176.45 2akk n ALA 72 N 7.01 -0.14 0.00 3.13 0.00 0.22 -4.90 120.51 125.83 2akk n ALA 72 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2akk n ALA 72 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2akk n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2akk n GLY 73 N 0.92 -0.37 0.93 0.00 0.00 -1.26 -5.06 105.19 100.35 2akk n GLY 73 Ca 0.00 0.31 0.12 0.00 0.00 0.00 0.00 46.02 46.45 2akk n GLY 73 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18