#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pni n SER 1 N 0.00 -0.27 -4.67 1.61 3.41 -1.26 -5.12 113.62 107.32 2pni n SER 1 Ca 0.00 0.11 -0.45 0.00 -0.26 0.00 0.00 58.87 58.26 2pni n SER 1 Cb 0.00 0.45 -0.04 0.00 -0.26 0.00 0.00 64.21 64.36 2pni n SER 1 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 2pni n MET 1 N -2.35 2.50 -3.07 4.33 -0.00 -1.26 -4.95 117.12 112.31 2pni n MET 1 Ca 0.00 0.91 -0.39 0.00 -0.00 0.00 0.00 57.70 58.22 2pni n MET 1 Cb 0.00 -2.80 -0.05 0.00 -0.00 0.00 0.00 33.22 30.37 2pni n MET 1 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2pni s SER 2 N 3.85 7.17 -0.03 3.17 0.01 -1.26 -5.02 113.70 121.59 2pni s SER 2 Ca 0.89 1.39 -0.30 0.00 1.31 0.00 0.00 55.95 59.24 2pni s SER 2 Cb -0.58 -2.43 -0.05 0.00 0.21 0.00 0.00 66.02 63.17 2pni s SER 2 CO 0.46 0.11 1.49 0.00 0.41 0.00 0.00 173.24 175.70 2pni s ALA 3 N -0.43 3.62 -0.83 1.44 0.00 -1.26 -4.95 121.76 119.34 2pni s ALA 3 Ca 0.35 0.87 -0.17 0.00 0.00 0.00 0.00 51.96 53.02 2pni s ALA 3 Cb -0.20 -3.66 0.16 0.00 0.00 0.00 0.00 23.12 19.42 2pni s ALA 3 CO 0.22 -1.12 0.90 -1.21 0.00 0.00 0.00 175.76 174.55 2pni s GLU 4 N 3.09 3.51 0.00 0.00 2.02 -1.26 -4.71 118.70 121.35 2pni s GLU 4 Ca 0.67 -1.98 0.00 0.00 0.02 0.00 0.00 54.97 53.67 2pni s GLU 4 Cb -0.31 -4.60 0.00 0.00 0.10 0.00 0.00 34.13 29.31 2pni s GLU 4 CO 0.26 -1.53 0.00 0.41 0.02 0.00 0.00 175.26 174.42 2pni n GLY 5 N 4.82 0.73 4.02 -1.39 0.00 -0.68 -4.48 105.19 108.21 2pni n GLY 5 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 2pni n GLY 5 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pni s TYR 6 N 3.79 1.55 0.16 1.61 1.51 -1.23 -1.83 117.35 122.90 2pni s TYR 6 Ca 0.00 -0.59 -0.07 0.00 -1.01 0.00 0.00 57.07 55.40 2pni s TYR 6 Cb 0.00 -2.41 -0.02 0.00 -0.11 0.00 0.00 41.96 39.42 2pni s TYR 6 CO 0.00 -1.24 0.22 -0.65 -1.11 0.00 0.00 175.55 172.77 2pni s GLN 7 N -4.76 1.11 0.02 -0.62 -0.21 -0.59 -1.99 119.66 112.62 2pni s GLN 7 Ca 0.62 -1.26 -0.04 0.00 0.02 0.00 0.00 55.36 54.70 2pni s GLN 7 Cb -0.06 0.34 -0.01 0.00 1.00 0.00 0.00 33.01 34.28 2pni s GLN 7 CO 0.40 -0.38 0.07 0.71 -2.12 0.00 0.00 175.29 173.97 2pni s TYR 8 N -4.00 0.16 -0.22 0.91 2.02 -0.67 -2.29 117.35 113.27 2pni s TYR 8 Ca 0.20 -0.38 0.01 0.00 -0.37 0.00 0.00 57.07 56.53 2pni s TYR 8 Cb 0.04 -0.13 0.04 0.00 -0.40 0.00 0.00 41.96 41.51 2pni s TYR 8 CO 0.01 -0.28 -0.14 0.50 -1.57 0.00 0.00 175.55 174.07 2pni s ARG 9 N -1.80 2.69 -0.11 -0.62 3.52 -0.04 -2.35 118.95 120.24 2pni s ARG 9 Ca -0.12 -1.05 -0.36 0.00 -0.13 0.00 0.00 55.73 54.08 2pni s ARG 9 Cb -0.06 -2.76 -0.13 0.00 -1.56 0.00 0.00 34.95 30.44 2pni s ARG 9 CO -0.01 -0.38 1.81 0.00 -0.81 0.00 0.00 175.30 175.91 2pni n ALA 10 N 4.56 0.63 -0.07 6.12 0.00 -0.89 -0.66 120.51 130.20 2pni n ALA 10 Ca -0.18 0.33 -0.22 0.00 0.00 0.00 0.00 53.44 53.37 2pni n ALA 10 Cb 0.47 -2.41 -0.12 0.00 0.00 0.00 0.00 19.45 17.38 2pni n ALA 10 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2pni n LEU 11 N 5.99 2.47 -4.47 0.00 7.94 -0.38 -4.52 117.00 124.03 2pni n LEU 11 Ca 0.23 0.19 -0.31 0.00 -1.11 0.00 0.00 56.01 55.00 2pni n LEU 11 Cb 0.25 -1.00 -0.13 0.00 0.53 0.00 0.00 43.42 43.08 2pni n LEU 11 CO 0.74 0.72 -0.48 -0.47 -1.11 0.00 0.00 177.39 176.79 2pni s TYR 12 N -2.50 2.61 -0.28 1.96 6.14 -0.83 -4.95 117.35 119.50 2pni s TYR 12 Ca -0.29 -0.22 -0.29 0.00 0.64 0.00 0.00 57.07 56.91 2pni s TYR 12 Cb 0.08 -1.52 0.01 0.00 0.42 0.00 0.00 41.96 40.95 2pni s TYR 12 CO 0.66 0.23 1.12 -0.51 0.64 0.00 0.00 175.55 177.69 2pni s ASP 13 N -1.22 6.94 -0.09 4.32 1.11 -1.26 -4.68 116.67 121.79 2pni s ASP 13 Ca 0.14 1.22 0.04 0.00 0.18 0.00 0.00 52.55 54.13 2pni s ASP 13 Cb -0.11 -2.54 -0.00 0.00 1.07 0.00 0.00 42.92 41.34 2pni s ASP 13 CO 0.04 -0.85 -0.23 -0.47 1.18 0.00 0.00 175.17 174.84 2pni s TYR 14 N 3.63 2.46 0.38 4.23 5.04 -0.26 -4.96 117.35 127.87 2pni s TYR 14 Ca 0.48 -0.94 -0.07 0.00 -2.44 0.00 0.00 57.07 54.10 2pni s TYR 14 Cb -0.15 -1.64 -0.05 0.00 0.35 0.00 0.00 41.96 40.47 2pni s TYR 14 CO 0.14 -0.36 0.68 0.21 -1.34 0.00 0.00 175.55 174.88 2pni s LYS 15 N 0.24 3.66 -0.05 4.97 2.20 -1.26 -1.03 119.74 128.47 2pni s LYS 15 Ca -0.15 0.19 -0.20 0.00 -0.36 0.00 0.00 55.97 55.45 2pni s LYS 15 Cb -0.17 -2.49 -0.05 0.00 -1.51 0.00 0.00 37.83 33.61 2pni s LYS 15 CO 0.07 0.03 0.58 -1.59 -0.36 0.00 0.00 175.35 174.09 2pni s LYS 16 N -3.97 4.34 -0.00 4.03 -2.85 -1.26 -4.89 119.74 115.13 2pni s LYS 16 Ca 0.47 0.69 0.08 0.00 -1.00 0.00 0.00 55.97 56.21 2pni s LYS 16 Cb -0.10 -3.39 -0.10 0.00 -2.06 0.00 0.00 37.83 32.18 2pni s LYS 16 CO 0.34 0.26 0.28 -1.91 0.10 0.00 0.00 175.35 174.41 2pni n GLU 17 N 3.18 2.77 -4.23 1.78 2.13 -1.26 -5.02 120.64 119.99 2pni n GLU 17 Ca -0.06 -0.03 -0.20 0.00 0.66 0.00 0.00 57.16 57.54 2pni n GLU 17 Cb 0.51 -1.00 -0.12 0.00 0.27 0.00 0.00 31.44 31.10 2pni n GLU 17 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2pni s ARG 18 N -2.07 0.90 0.15 5.31 6.06 -1.26 -5.02 118.95 123.02 2pni s ARG 18 Ca 0.01 -0.97 0.19 0.00 -2.50 0.00 0.00 55.73 52.46 2pni s ARG 18 Cb 0.06 -0.96 0.80 0.00 0.06 0.00 0.00 34.95 34.91 2pni s ARG 18 CO 0.33 0.22 1.58 0.39 -2.50 0.00 0.00 175.30 175.32 2pni n GLU 19 N 1.34 0.11 0.21 5.12 1.02 -1.26 -2.09 120.64 125.08 2pni n GLU 19 Ca -0.20 0.37 0.12 0.00 -0.02 0.00 0.00 57.16 57.42 2pni n GLU 19 Cb 0.54 -1.71 0.18 0.00 -0.02 0.00 0.00 31.44 30.43 2pni n GLU 19 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2pni h GLU 20 N 0.00 0.00 -6.20 3.49 4.81 -1.97 -3.46 114.58 111.25 2pni h GLU 20 Ca 0.00 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.69 2pni h GLU 20 Cb 0.29 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.59 2pni h GLU 20 CO 0.00 0.00 -0.59 -0.51 -0.73 0.00 0.00 179.01 177.18 2pni s ASP 21 N -6.13 5.01 0.51 1.04 1.11 -0.89 -3.27 116.67 114.06 2pni s ASP 21 Ca 0.07 -0.45 0.06 0.00 0.18 0.00 0.00 52.55 52.41 2pni s ASP 21 Cb 0.05 -1.12 0.02 0.00 1.07 0.00 0.00 42.92 42.95 2pni s ASP 21 CO 0.67 -0.01 0.35 0.27 1.18 0.00 0.00 175.17 177.63 2pni s ILE 22 N -2.21 1.81 0.29 0.77 -4.36 -1.26 -4.79 121.20 111.45 2pni s ILE 22 Ca 0.32 -1.53 -0.29 0.00 -0.26 0.00 0.00 60.65 58.88 2pni s ILE 22 Cb -0.07 -2.34 -0.10 0.00 1.25 0.00 0.00 42.46 41.20 2pni s ILE 22 CO 0.22 0.00 1.13 -1.81 0.24 0.00 0.00 174.94 174.72 2pni s ASP 23 N -4.19 7.19 -0.08 4.36 1.01 -1.26 -4.37 116.67 119.32 2pni s ASP 23 Ca 0.35 2.33 0.02 0.00 0.71 0.00 0.00 52.55 55.96 2pni s ASP 23 Cb -0.01 -2.63 0.01 0.00 1.01 0.00 0.00 42.92 41.30 2pni s ASP 23 CO 0.21 -0.21 -0.13 -0.76 0.21 0.00 0.00 175.17 174.49 2pni s LEU 24 N -1.47 1.63 0.00 1.23 1.43 -0.20 -5.02 118.68 116.29 2pni s LEU 24 Ca 0.45 -0.34 0.04 0.00 -1.03 0.00 0.00 54.13 53.25 2pni s LEU 24 Cb -0.33 -0.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.95 2pni s LEU 24 CO 0.43 0.02 0.22 0.00 0.23 0.00 0.00 176.35 177.25 2pni n HIS 25 N 4.03 -0.68 -1.51 0.29 1.44 -1.26 -1.10 115.22 116.44 2pni n HIS 25 Ca -0.20 -1.84 -0.35 0.00 -2.01 0.00 0.00 57.72 53.32 2pni n HIS 25 Cb 0.51 0.24 0.09 0.00 0.12 0.00 0.00 29.99 30.95 2pni n HIS 25 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2pni s LEU 26 N 0.00 3.38 0.00 2.39 1.43 -1.26 -2.88 118.68 121.74 2pni s LEU 26 Ca 0.26 2.44 0.00 0.00 -1.03 0.00 0.00 54.13 55.79 2pni s LEU 26 Cb 0.01 -4.60 0.00 0.00 0.03 0.00 0.00 46.19 41.63 2pni s LEU 26 CO 0.18 -2.21 0.00 0.61 0.23 0.00 0.00 176.35 175.16 2pni n GLY 27 N 0.56 1.97 3.55 -3.19 0.00 -1.26 -4.92 105.19 101.91 2pni n GLY 27 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2pni n GLY 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pni s ASP 28 N -2.95 4.72 -0.06 1.61 1.11 -1.14 -4.93 116.67 115.02 2pni s ASP 28 Ca 0.00 0.23 -0.18 0.00 0.18 0.00 0.00 52.55 52.78 2pni s ASP 28 Cb 0.00 -2.53 -0.05 0.00 1.07 0.00 0.00 42.92 41.41 2pni s ASP 28 CO 0.00 -2.93 0.50 -0.63 1.18 0.00 0.00 175.17 173.29 2pni s ILE 29 N 11.39 5.08 0.05 0.77 1.01 -1.26 -2.10 121.20 136.14 2pni s ILE 29 Ca 0.81 1.02 0.05 0.00 0.00 0.00 0.00 60.65 62.54 2pni s ILE 29 Cb -0.12 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 2pni s ILE 29 CO 0.14 0.40 -0.10 -0.76 0.00 0.00 0.00 174.94 174.62 2pni s LEU 30 N 0.08 2.99 0.11 2.97 1.02 -0.99 -4.26 118.68 120.60 2pni s LEU 30 Ca 0.27 -0.30 0.04 0.00 0.02 0.00 0.00 54.13 54.17 2pni s LEU 30 Cb -0.16 -1.76 -0.04 0.00 0.02 0.00 0.00 46.19 44.25 2pni s LEU 30 CO 0.13 0.24 -0.11 -0.89 0.02 0.00 0.00 176.35 175.74 2pni s THR 31 N -1.06 1.04 0.21 5.49 2.01 -0.82 -1.67 115.64 120.85 2pni s THR 31 Ca 0.18 -1.71 -0.00 0.00 0.31 0.00 0.00 61.69 60.47 2pni s THR 31 Cb -0.11 -1.46 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 2pni s THR 31 CO 0.09 -0.56 0.12 -0.69 -0.69 0.00 0.00 174.62 172.89 2pni s VAL 32 N -2.50 0.18 0.65 3.82 1.01 -0.84 -1.60 120.40 121.12 2pni s VAL 32 Ca 0.08 -2.00 -0.16 0.00 0.00 0.00 0.00 61.98 59.90 2pni s VAL 32 Cb -0.03 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 2pni s VAL 32 CO 0.01 -0.02 1.12 0.20 0.00 0.00 0.00 175.10 176.41 2pni s ASN 33 N -3.20 5.12 0.54 3.32 -0.87 -1.26 -1.69 114.94 116.90 2pni s ASN 33 Ca 0.38 2.06 0.22 0.00 -1.57 0.00 0.00 52.86 53.95 2pni s ASN 33 Cb 0.07 -2.56 1.48 0.00 -0.02 0.00 0.00 41.25 40.22 2pni s ASN 33 CO 0.12 -1.62 2.17 0.07 -2.57 0.00 0.00 177.10 175.27 2pni h LYS 34 N 0.17 0.00 -0.11 -0.60 2.10 -1.87 -2.62 116.57 113.64 2pni h LYS 34 Ca -0.47 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.09 2pni h LYS 34 Cb 1.25 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.50 2pni h LYS 34 CO 0.54 0.03 -0.58 0.41 -2.00 0.00 0.00 179.45 177.85 2pni n GLY 35 N -1.34 5.13 0.21 0.07 0.00 -1.26 -4.72 105.19 103.28 2pni n GLY 35 Ca -0.03 -1.49 0.15 0.00 0.00 0.00 0.00 46.02 44.65 2pni n GLY 35 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2pni h SER 36 N 1.19 0.00 -0.62 1.61 0.87 -1.82 -1.93 113.55 112.84 2pni h SER 36 Ca 0.04 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.68 2pni h SER 36 Cb 1.12 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.04 2pni h SER 36 CO 0.12 0.00 0.41 -0.07 -0.53 0.00 0.00 176.83 176.76 2pni h LEU 37 N 0.00 0.48 -0.05 2.23 3.38 -1.84 -0.57 115.31 118.93 2pni h LEU 37 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2pni h LEU 37 Cb 0.15 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2pni h LEU 37 CO 0.00 0.30 -0.29 0.52 0.09 0.00 0.00 178.44 179.06 2pni n VAL 38 N -4.48 0.00 -0.41 1.22 0.31 -0.73 -2.23 118.33 112.02 2pni n VAL 38 Ca 0.09 -0.01 0.34 0.00 -0.01 0.00 0.00 64.34 64.75 2pni n VAL 38 Cb 0.29 -0.01 0.61 0.00 -0.91 0.00 0.00 33.84 33.83 2pni n VAL 38 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pni h ALA 39 N 3.10 2.56 0.00 3.52 0.00 -1.11 -0.27 119.26 127.06 2pni h ALA 39 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2pni h ALA 39 Cb 0.48 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2pni h ALA 39 CO 0.00 -1.18 -1.16 1.28 0.00 0.00 0.00 179.25 178.18 2pni n LEU 40 N -4.77 0.24 -0.80 0.00 4.77 -1.25 -5.00 117.00 110.19 2pni n LEU 40 Ca 0.36 -0.21 -0.03 0.00 -0.03 0.00 0.00 56.01 56.10 2pni n LEU 40 Cb 1.32 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 42.42 2pni n LEU 40 CO 0.18 0.06 0.02 0.61 -1.33 0.00 0.00 177.39 176.93 2pni n GLY 41 N 1.58 0.67 3.56 -0.72 0.00 -0.11 -5.05 105.19 105.12 2pni n GLY 41 Ca -0.00 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 2pni n GLY 41 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pni n PHE 42 N -3.04 -0.19 -1.98 1.61 3.72 -0.94 -4.97 117.46 111.66 2pni n PHE 42 Ca -0.00 0.18 -0.05 0.00 -0.05 0.00 0.00 57.45 57.52 2pni n PHE 42 Cb 0.51 -1.86 0.11 0.00 -0.94 0.00 0.00 39.48 37.30 2pni n PHE 42 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2pni n SER 43 N -4.15 2.67 -1.06 4.37 7.64 -1.26 -4.84 113.62 116.99 2pni n SER 43 Ca 0.08 -3.41 0.00 0.00 1.01 0.00 0.00 58.87 56.54 2pni n SER 43 Cb 0.53 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 2pni n SER 43 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2pni n ASP 44 N -0.72 1.51 -0.07 6.43 -0.08 -1.26 -5.08 116.55 117.28 2pni n ASP 44 Ca 0.24 -0.53 0.00 0.00 -1.51 0.00 0.00 54.79 53.00 2pni n ASP 44 Cb 0.85 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.31 2pni n ASP 44 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2pni n GLY 45 N 5.00 0.69 2.39 0.27 0.00 -1.26 -5.03 105.19 107.25 2pni n GLY 45 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2pni n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pni n GLN 46 N 0.00 0.28 0.00 1.61 10.64 -1.26 -4.94 117.38 123.71 2pni n GLN 46 Ca 0.00 -3.22 0.02 0.00 -1.83 0.00 0.00 57.00 51.97 2pni n GLN 46 Cb 0.34 -1.66 0.09 0.00 -0.86 0.00 0.00 30.24 28.16 2pni n GLN 46 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 2pni n GLU 47 N 2.71 0.06 0.00 2.61 2.13 -1.26 -2.50 120.64 124.39 2pni n GLU 47 Ca 0.29 0.22 0.07 0.00 0.66 0.00 0.00 57.16 58.40 2pni n GLU 47 Cb 0.48 -1.50 0.36 0.00 0.27 0.00 0.00 31.44 31.05 2pni n GLU 47 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2pni n ALA 48 N -1.25 1.84 -3.80 4.31 0.00 -1.26 -4.05 120.51 116.31 2pni n ALA 48 Ca 0.02 -0.07 -0.28 0.00 0.00 0.00 0.00 53.44 53.11 2pni n ALA 48 Cb 0.03 -1.23 -0.11 0.00 0.00 0.00 0.00 19.45 18.13 2pni n ALA 48 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2pni n LYS 49 N -1.24 1.70 0.30 0.00 4.01 -1.04 -4.88 118.16 117.01 2pni n LYS 49 Ca 0.07 -4.35 0.20 0.00 -0.51 0.00 0.00 58.31 53.73 2pni n LYS 49 Cb 0.10 -2.21 1.03 0.00 -0.51 0.00 0.00 35.03 33.45 2pni n LYS 49 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 2pni h PRO 50 N 5.29 0.00 -0.97 1.97 0.14 -1.86 -3.25 132.00 133.33 2pni h PRO 50 Ca 0.17 0.00 0.06 0.00 0.14 0.00 0.00 66.00 66.36 2pni h PRO 50 Cb 0.76 0.00 -0.06 0.00 0.14 0.00 0.00 31.00 31.84 2pni h PRO 50 CO 0.69 0.00 0.62 1.05 0.14 0.00 0.00 178.00 180.50 2pni h GLU 51 N 0.00 1.11 0.00 0.86 4.11 -1.91 -2.63 114.58 116.13 2pni h GLU 51 Ca 0.00 -0.07 -0.21 0.00 0.07 0.00 0.00 59.36 59.15 2pni h GLU 51 Cb 0.10 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 2pni h GLU 51 CO 0.00 0.74 -1.51 1.05 0.07 0.00 0.00 179.01 179.36 2pni h GLU 52 N 1.15 0.00 -7.04 1.06 4.11 -1.89 -3.46 114.58 108.50 2pni h GLU 52 Ca 0.41 0.00 -0.50 0.00 0.07 0.00 0.00 59.36 59.34 2pni h GLU 52 Cb 0.12 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.44 2pni h GLU 52 CO -0.16 0.37 0.45 0.42 0.07 0.00 0.00 179.01 180.16 2pni s ILE 53 N -2.80 3.24 0.00 -1.06 1.01 -0.99 -5.03 121.20 115.57 2pni s ILE 53 Ca -0.03 0.84 0.00 0.00 0.00 0.00 0.00 60.65 61.46 2pni s ILE 53 Cb 0.08 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 39.17 2pni s ILE 53 CO 0.82 -0.10 0.00 0.61 0.00 0.00 0.00 174.94 176.27 2pni n GLY 54 N 0.25 0.92 3.84 6.18 0.00 -1.26 -4.56 105.19 110.56 2pni n GLY 54 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 2pni n GLY 54 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2pni s TRP 55 N 0.23 3.62 -0.09 1.61 0.52 -1.26 -0.74 118.94 122.84 2pni s TRP 55 Ca 0.00 1.10 0.04 0.00 0.02 0.00 0.00 56.10 57.26 2pni s TRP 55 Cb 0.00 -2.40 -0.01 0.00 -1.15 0.00 0.00 33.47 29.91 2pni s TRP 55 CO 0.00 0.43 -0.20 -0.51 0.02 0.00 0.00 176.95 176.68 2pni s LEU 56 N -1.92 2.32 -0.24 2.99 1.43 -0.25 -4.87 118.68 118.14 2pni s LEU 56 Ca 0.38 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 53.00 2pni s LEU 56 Cb -0.15 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.60 2pni s LEU 56 CO 0.19 0.22 -0.02 0.20 0.23 0.00 0.00 176.35 177.17 2pni s ASN 57 N 0.02 4.49 0.34 2.29 0.02 -1.26 -0.92 114.94 119.91 2pni s ASN 57 Ca -0.07 -0.56 -0.15 0.00 -1.02 0.00 0.00 52.86 51.06 2pni s ASN 57 Cb -0.15 -1.75 0.03 0.00 0.02 0.00 0.00 41.25 39.40 2pni s ASN 57 CO 0.05 -0.08 0.71 -0.83 0.02 0.00 0.00 177.10 176.97 2pni s GLY 58 N 1.45 0.40 0.16 0.66 0.00 -1.00 -4.93 107.32 104.07 2pni s GLY 58 Ca 0.04 -0.74 -0.06 0.00 0.00 0.00 0.00 44.72 43.96 2pni s GLY 58 CO -0.02 -0.36 0.41 -0.19 0.00 0.00 0.00 173.10 172.93 2pni s TYR 59 N -2.96 3.46 -0.54 1.90 1.51 -0.63 -2.29 117.35 117.81 2pni s TYR 59 Ca 0.17 0.61 0.07 0.00 -1.01 0.00 0.00 57.07 56.90 2pni s TYR 59 Cb -0.04 -2.05 0.30 0.00 -0.11 0.00 0.00 41.96 40.06 2pni s TYR 59 CO 0.11 0.40 0.81 -1.71 -1.11 0.00 0.00 175.55 174.05 2pni n ASN 60 N 0.04 3.22 0.16 2.29 4.05 0.19 -1.95 115.26 123.26 2pni n ASN 60 Ca -0.02 -3.40 0.18 0.00 0.45 0.00 0.00 54.58 51.80 2pni n ASN 60 Cb 0.52 -0.61 0.79 0.00 1.23 0.00 0.00 39.78 41.71 2pni n ASN 60 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 2pni h GLU 61 N 3.46 0.00 -0.45 1.20 5.08 -1.77 -1.00 114.58 121.09 2pni h GLU 61 Ca 0.14 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.59 2pni h GLU 61 Cb 0.67 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.84 2pni h GLU 61 CO 0.74 0.00 -0.06 1.15 -1.00 0.00 0.00 179.01 179.84 2pni h THR 62 N 0.00 0.60 -0.01 1.13 2.02 -1.89 -1.84 112.91 112.91 2pni h THR 62 Ca 0.13 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.29 2pni h THR 62 Cb 0.75 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2pni h THR 62 CO -0.00 0.01 -0.27 0.35 0.37 0.00 0.00 175.52 175.97 2pni n THR 63 N -5.28 0.00 -3.03 3.16 -2.24 -0.54 -4.95 114.28 101.41 2pni n THR 63 Ca 0.04 -0.23 -0.12 0.00 -2.27 0.00 0.00 64.05 61.47 2pni n THR 63 Cb 0.24 0.82 0.05 0.00 -2.10 0.00 0.00 70.33 69.34 2pni n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pni n GLY 64 N 1.35 0.10 3.32 3.38 0.00 -0.49 -5.03 105.19 107.81 2pni n GLY 64 Ca 0.12 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 2pni n GLY 64 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pni s GLU 65 N -5.49 1.75 0.01 1.61 2.56 -0.77 -4.97 118.70 113.39 2pni s GLU 65 Ca 0.25 -1.93 -0.11 0.00 0.00 0.00 0.00 54.97 53.17 2pni s GLU 65 Cb -0.11 0.35 0.01 0.00 2.00 0.00 0.00 34.13 36.38 2pni s GLU 65 CO 0.40 -0.66 0.22 -0.98 -0.56 0.00 0.00 175.26 173.68 2pni s ARG 66 N -3.42 0.63 0.00 4.30 1.70 -1.26 -0.64 118.95 120.25 2pni s ARG 66 Ca 0.39 -0.41 0.00 0.00 -0.47 0.00 0.00 55.73 55.24 2pni s ARG 66 Cb 0.02 0.27 0.00 0.00 -0.57 0.00 0.00 34.95 34.67 2pni s ARG 66 CO 0.25 -0.17 0.00 0.41 -1.08 0.00 0.00 175.30 174.71 2pni n GLY 67 N 1.11 -0.70 3.79 3.88 0.00 -0.97 -4.84 105.19 107.47 2pni n GLY 67 Ca -0.21 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 2pni n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pni s ASP 68 N -4.00 5.67 -0.18 1.61 1.11 -1.20 -2.37 116.67 117.31 2pni s ASP 68 Ca 0.00 0.07 -0.17 0.00 0.18 0.00 0.00 52.55 52.63 2pni s ASP 68 Cb 0.00 -1.58 0.05 0.00 1.07 0.00 0.00 42.92 42.46 2pni s ASP 68 CO 0.00 0.20 0.48 0.72 1.18 0.00 0.00 175.17 177.75 2pni s PHE 69 N -1.35 -0.53 0.95 4.23 -0.71 -0.10 -4.08 117.98 116.38 2pni s PHE 69 Ca 0.28 1.28 -0.11 0.00 -1.04 0.00 0.00 56.93 57.34 2pni s PHE 69 Cb -0.12 0.18 0.14 0.00 -1.21 0.00 0.00 43.02 42.01 2pni s PHE 69 CO 0.21 -0.26 0.97 -0.35 -1.34 0.00 0.00 175.22 174.44 2pni n PRO 70 N 2.77 -0.58 -1.19 1.99 -0.05 -1.26 -1.09 135.00 135.58 2pni n PRO 70 Ca -0.14 -0.11 -0.27 0.00 -0.05 0.00 0.00 63.50 62.93 2pni n PRO 70 Cb 0.57 -2.25 0.11 0.00 -0.05 0.00 0.00 33.50 31.88 2pni n PRO 70 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 2pni n GLY 71 N 0.60 4.96 0.00 0.55 0.00 0.09 -4.24 105.19 107.14 2pni n GLY 71 Ca 0.10 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.54 2pni n GLY 71 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2pni n THR 72 N -0.83 0.00 0.48 2.61 5.66 -1.26 -4.09 114.28 116.85 2pni n THR 72 Ca 0.56 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.61 2pni n THR 72 Cb 1.07 -0.46 0.19 0.00 -1.55 0.00 0.00 70.33 69.58 2pni n THR 72 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 2pni n TYR 73 N -1.25 0.74 -4.42 1.09 4.01 -1.26 -4.87 117.16 111.20 2pni n TYR 73 Ca 0.00 -0.30 -0.22 0.00 -0.16 0.00 0.00 57.90 57.22 2pni n TYR 73 Cb 0.24 -0.12 -0.09 0.00 -0.31 0.00 0.00 39.34 39.06 2pni n TYR 73 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2pni s VAL 74 N -1.65 0.48 -0.16 -0.72 -7.23 -1.26 -1.24 120.40 108.60 2pni s VAL 74 Ca 0.27 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.40 2pni s VAL 74 Cb 0.17 -2.46 0.08 0.00 0.56 0.00 0.00 36.38 34.72 2pni s VAL 74 CO 0.14 0.00 0.21 -0.70 -0.31 0.00 0.00 175.10 174.44 2pni s GLU 75 N -3.74 0.14 0.24 4.82 2.12 0.17 -4.68 118.70 117.77 2pni s GLU 75 Ca 0.31 0.35 -0.29 0.00 0.36 0.00 0.00 54.97 55.71 2pni s GLU 75 Cb 0.04 -0.85 -0.16 0.00 0.26 0.00 0.00 34.13 33.42 2pni s GLU 75 CO 0.17 -0.52 0.80 0.98 -0.54 0.00 0.00 175.26 176.15 2pni n TYR 76 N 5.32 0.47 0.05 5.30 4.19 -1.26 -0.86 117.16 130.37 2pni n TYR 76 Ca -0.05 0.83 0.00 0.00 3.31 0.00 0.00 57.90 61.99 2pni n TYR 76 Cb 0.50 -2.12 0.00 0.00 0.49 0.00 0.00 39.34 38.21 2pni n TYR 76 CO 0.00 0.00 0.00 0.44 0.91 0.00 0.00 176.86 178.21 2pni n ILE 77 N 0.23 0.07 -3.79 2.97 -5.35 -0.97 -4.82 119.36 107.71 2pni n ILE 77 Ca 0.14 0.02 -0.24 0.00 -0.27 0.00 0.00 62.75 62.40 2pni n ILE 77 Cb 0.28 -0.35 -0.02 0.00 -1.74 0.00 0.00 39.64 37.81 2pni n ILE 77 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2pni s GLY 78 N -4.24 1.45 0.41 3.28 0.00 -1.24 -4.94 107.32 102.04 2pni s GLY 78 Ca 0.00 -1.04 0.08 0.00 0.00 0.00 0.00 44.72 43.75 2pni s GLY 78 CO 0.00 -1.03 0.24 1.09 0.00 0.00 0.00 173.10 173.40 2pni s ARG 79 N -3.77 2.34 0.00 2.90 3.03 -1.26 -1.54 118.95 120.65 2pni s ARG 79 Ca 0.36 -1.72 0.00 0.00 2.03 0.00 0.00 55.73 56.41 2pni s ARG 79 Cb -0.10 -2.13 0.00 0.00 -1.03 0.00 0.00 34.95 31.69 2pni s ARG 79 CO 0.30 -0.12 0.00 0.36 -1.13 0.00 0.00 175.30 174.71 2pni n LYS 80 N -1.33 1.67 0.00 3.89 2.85 -0.76 -4.40 118.16 120.08 2pni n LYS 80 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2pni n LYS 80 Cb 0.63 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.01 2pni n LYS 80 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 2pni n LYS 81 N 0.00 0.40 -3.26 -1.58 2.85 -1.26 -4.75 118.16 110.56 2pni n LYS 81 Ca 0.00 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.87 2pni n LYS 81 Cb 0.00 -1.07 -0.06 0.00 -0.65 0.00 0.00 35.03 33.25 2pni n LYS 81 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2pni s ILE 82 N -1.64 4.75 0.37 0.58 1.01 -1.26 -5.08 121.20 119.92 2pni s ILE 82 Ca 0.00 1.24 0.08 0.00 0.00 0.00 0.00 60.65 61.97 2pni s ILE 82 Cb 0.00 -3.91 -0.06 0.00 0.01 0.00 0.00 42.46 38.50 2pni s ILE 82 CO 0.00 0.54 0.03 -0.94 0.00 0.00 0.00 174.94 174.57 2pni s SER 83 N -1.01 4.09 0.00 3.58 1.04 -1.26 -4.85 113.70 115.28 2pni s SER 83 Ca 0.29 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.59 2pni s SER 83 Cb -0.19 -0.46 0.00 0.00 0.10 0.00 0.00 66.02 65.47 2pni s SER 83 CO 0.19 -0.35 0.40 -0.81 0.98 0.00 0.00 173.24 173.65