#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 -2.63 0.00 1.61 2.88 -1.26 -5.05 113.62 109.17 2pni n SER 1 Ca 0.00 1.44 0.00 0.00 -1.33 0.00 0.00 58.87 58.98 2pni n SER 1 Cb 0.00 -5.15 0.00 0.00 -0.75 0.00 0.00 64.21 58.31 2pni n SER 1 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2pni n MET 1 N 1.70 0.00 -3.64 -1.46 0.00 -1.26 -5.14 117.12 107.32 2pni n MET 1 Ca -0.31 0.00 -0.07 0.00 0.00 0.00 0.00 57.70 57.31 2pni n MET 1 Cb 0.48 -0.14 -0.07 0.00 0.00 0.00 0.00 33.22 33.49 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 -4.19 -0.37 -0.21 7.83 0.01 -1.26 -5.13 113.70 110.38 2pni s SER 2 Ca 0.00 0.70 -0.29 0.00 1.31 0.00 0.00 55.95 57.67 2pni s SER 2 Cb 0.00 0.75 -0.01 0.00 0.21 0.00 0.00 66.02 66.97 2pni s SER 2 CO 0.00 -0.12 1.36 0.00 0.41 0.00 0.00 173.24 174.89 2pni s ALA 3 N 0.28 3.49 -0.13 1.44 0.00 -1.26 -4.91 121.76 120.69 2pni s ALA 3 Ca 0.03 0.37 -0.12 0.00 0.00 0.00 0.00 51.96 52.24 2pni s ALA 3 Cb -0.05 -3.72 -0.26 0.00 0.00 0.00 0.00 23.12 19.10 2pni s ALA 3 CO -0.09 -1.52 0.40 0.93 0.00 0.00 0.00 175.76 175.49 2pni h GLU 4 N 9.07 0.23 0.00 0.00 5.08 -1.95 -3.50 114.58 123.51 2pni h GLU 4 Ca -0.28 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 57.69 2pni h GLU 4 Cb 1.11 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2pni h GLU 4 CO 1.00 1.19 0.00 0.41 -1.00 0.00 0.00 179.01 180.60 2pni n GLY 5 N 1.83 1.88 3.95 -3.84 0.00 -1.26 -4.51 105.19 103.24 2pni n GLY 5 Ca -0.30 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.02 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 0.00 2.96 0.16 1.61 1.51 -0.88 -2.57 117.35 120.15 2pni s TYR 6 Ca 0.00 0.24 -0.09 0.00 -1.01 0.00 0.00 57.07 56.21 2pni s TYR 6 Cb 0.00 -2.85 -0.01 0.00 -0.11 0.00 0.00 41.96 38.99 2pni s TYR 6 CO 0.00 -0.99 0.29 -0.65 -1.11 0.00 0.00 175.55 173.08 2pni s GLN 7 N -4.93 1.16 -0.01 -0.62 -0.21 -0.56 -2.43 119.66 112.07 2pni s GLN 7 Ca 0.57 -1.17 -0.09 0.00 0.02 0.00 0.00 55.36 54.68 2pni s GLN 7 Cb -0.10 0.38 0.01 0.00 1.00 0.00 0.00 33.01 34.29 2pni s GLN 7 CO 0.41 -0.42 0.19 0.71 -2.12 0.00 0.00 175.29 174.06 2pni s TYR 8 N -3.97 -0.05 -0.25 0.91 1.51 -0.80 -2.12 117.35 112.58 2pni s TYR 8 Ca 0.17 0.07 0.00 0.00 -1.01 0.00 0.00 57.07 56.30 2pni s TYR 8 Cb 0.03 0.01 0.04 0.00 -0.11 0.00 0.00 41.96 41.93 2pni s TYR 8 CO 0.00 -0.29 -0.10 0.50 -1.11 0.00 0.00 175.55 174.55 2pni s ARG 9 N -1.18 2.62 -0.55 -0.62 3.52 -0.19 -2.01 118.95 120.54 2pni s ARG 9 Ca -0.13 -1.11 -0.31 0.00 -0.13 0.00 0.00 55.73 54.06 2pni s ARG 9 Cb -0.06 -2.90 -0.12 0.00 -1.56 0.00 0.00 34.95 30.31 2pni s ARG 9 CO 0.02 -0.44 2.40 0.00 -0.81 0.00 0.00 175.30 176.47 2pni n ALA 10 N 4.58 0.81 0.12 6.12 0.00 -0.36 -1.05 120.51 130.72 2pni n ALA 10 Ca -0.16 -0.44 -0.01 0.00 0.00 0.00 0.00 53.44 52.83 2pni n ALA 10 Cb 0.45 -2.73 0.24 0.00 0.00 0.00 0.00 19.45 17.41 2pni n ALA 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2pni h LEU 11 N 15.01 0.15 -7.83 0.00 5.85 -0.94 -3.22 115.31 124.34 2pni h LEU 11 Ca -0.21 -0.07 -0.24 0.00 0.84 0.00 0.00 57.88 58.20 2pni h LEU 11 Cb 1.30 -0.04 -0.27 0.00 0.37 0.00 0.00 40.66 42.02 2pni h LEU 11 CO 1.16 0.58 -0.73 -0.47 -0.34 0.00 0.00 178.44 178.65 2pni s TYR 12 N -4.04 0.17 -0.25 1.25 5.04 -1.11 -4.93 117.35 113.48 2pni s TYR 12 Ca -0.04 -0.12 -0.29 0.00 -2.44 0.00 0.00 57.07 54.19 2pni s TYR 12 Cb 0.13 -0.11 -0.03 0.00 0.35 0.00 0.00 41.96 42.30 2pni s TYR 12 CO 0.76 -0.03 1.76 0.34 -1.34 0.00 0.00 175.55 177.04 2pni s ASP 13 N -0.31 6.12 -0.11 4.32 2.15 -1.26 -4.73 116.67 122.85 2pni s ASP 13 Ca -0.02 1.58 0.01 0.00 0.43 0.00 0.00 52.55 54.55 2pni s ASP 13 Cb -0.02 -2.53 -0.02 0.00 -0.30 0.00 0.00 42.92 40.05 2pni s ASP 13 CO -0.00 -1.48 -0.12 -0.47 -0.17 0.00 0.00 175.17 172.93 2pni s TYR 14 N 6.06 2.81 0.37 -5.34 6.14 0.85 -4.93 117.35 123.31 2pni s TYR 14 Ca 0.78 -0.45 -0.06 0.00 0.64 0.00 0.00 57.07 57.98 2pni s TYR 14 Cb -0.26 -1.79 -0.05 0.00 0.42 0.00 0.00 41.96 40.28 2pni s TYR 14 CO 0.32 -0.06 0.66 0.15 0.64 0.00 0.00 175.55 177.26 2pni s LYS 15 N 0.01 3.63 0.21 4.97 -0.14 -1.26 -0.81 119.74 126.35 2pni s LYS 15 Ca -0.03 0.12 -0.14 0.00 -1.36 0.00 0.00 55.97 54.56 2pni s LYS 15 Cb -0.14 -2.52 -0.08 0.00 -1.68 0.00 0.00 37.83 33.41 2pni s LYS 15 CO 0.04 0.05 0.61 -1.59 -0.76 0.00 0.00 175.35 173.70 2pni s LYS 16 N -3.98 3.98 0.00 1.68 -2.85 -1.25 -4.90 119.74 112.42 2pni s LYS 16 Ca 0.46 0.53 0.00 0.00 -1.00 0.00 0.00 55.97 55.96 2pni s LYS 16 Cb -0.10 -2.75 0.00 0.00 -2.06 0.00 0.00 37.83 32.91 2pni s LYS 16 CO 0.34 0.36 0.13 -1.91 0.10 0.00 0.00 175.35 174.37 2pni n GLU 17 N 0.32 4.01 -4.10 1.78 2.13 -1.26 -5.05 120.64 118.46 2pni n GLU 17 Ca -0.02 -0.13 -0.08 0.00 0.66 0.00 0.00 57.16 57.60 2pni n GLU 17 Cb 0.52 -0.58 -0.10 0.00 0.27 0.00 0.00 31.44 31.55 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 -0.61 0.64 0.58 5.31 6.06 -1.26 -5.04 118.95 124.63 2pni s ARG 18 Ca 0.00 -1.20 0.36 0.00 -2.50 0.00 0.00 55.73 52.38 2pni s ARG 18 Cb 0.00 0.10 1.71 0.00 0.06 0.00 0.00 34.95 36.83 2pni s ARG 18 CO 0.00 -0.08 2.12 1.49 -2.50 0.00 0.00 175.30 176.33 2pni h GLU 19 N 3.22 0.00 0.00 5.12 4.81 -2.03 -1.93 114.58 123.77 2pni h GLU 19 Ca -0.34 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.81 2pni h GLU 19 Cb 1.15 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 2pni h GLU 19 CO 0.64 0.03 -0.60 1.05 -0.73 0.00 0.00 179.01 179.40 2pni h GLU 20 N 0.00 0.00 -6.10 1.92 4.11 -1.96 -3.46 114.58 109.09 2pni h GLU 20 Ca -0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.36 58.84 2pni h GLU 20 Cb 0.32 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 2pni h GLU 20 CO 0.00 0.28 -0.27 -0.51 0.07 0.00 0.00 179.01 178.59 2pni s ASP 21 N -6.15 6.59 0.51 3.06 1.11 -0.73 -1.90 116.67 119.17 2pni s ASP 21 Ca 0.03 0.72 0.05 0.00 0.18 0.00 0.00 52.55 53.53 2pni s ASP 21 Cb 0.07 -2.15 0.01 0.00 1.07 0.00 0.00 42.92 41.93 2pni s ASP 21 CO 0.74 0.15 0.30 0.27 1.18 0.00 0.00 175.17 177.82 2pni s ILE 22 N -1.45 1.73 -0.54 0.77 -4.36 -1.26 -4.69 121.20 111.40 2pni s ILE 22 Ca 0.34 -1.60 -0.24 0.00 -0.26 0.00 0.00 60.65 58.89 2pni s ILE 22 Cb -0.13 -2.33 0.04 0.00 1.25 0.00 0.00 42.46 41.29 2pni s ILE 22 CO 0.19 0.00 0.94 -1.81 0.24 0.00 0.00 174.94 174.50 2pni s ASP 23 N -4.15 6.36 -0.18 4.36 1.01 -1.26 -3.97 116.67 118.84 2pni s ASP 23 Ca 0.31 -0.30 -0.19 0.00 0.71 0.00 0.00 52.55 53.07 2pni s ASP 23 Cb -0.01 -2.44 -0.03 0.00 1.01 0.00 0.00 42.92 41.45 2pni s ASP 23 CO 0.19 -1.21 0.56 -0.76 0.21 0.00 0.00 175.17 174.16 2pni s LEU 24 N 3.93 4.18 0.00 1.23 1.02 0.01 -5.00 118.68 124.05 2pni s LEU 24 Ca 0.31 0.79 0.02 0.00 0.02 0.00 0.00 54.13 55.26 2pni s LEU 24 Cb -0.12 -2.79 0.02 0.00 0.02 0.00 0.00 46.19 43.31 2pni s LEU 24 CO 0.20 -0.17 0.13 1.41 0.02 0.00 0.00 176.35 177.94 2pni n HIS 25 N 4.60 -1.23 -2.48 0.29 8.25 -1.26 -0.10 115.22 123.29 2pni n HIS 25 Ca -0.04 -0.75 -0.37 0.00 -0.26 0.00 0.00 57.72 56.31 2pni n HIS 25 Cb 0.50 -0.14 -0.03 0.00 1.12 0.00 0.00 29.99 31.44 2pni n HIS 25 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2pni s LEU 26 N 0.00 4.14 -0.16 2.41 1.43 -1.26 -3.47 118.68 121.77 2pni s LEU 26 Ca 0.10 2.10 0.00 0.00 -1.03 0.00 0.00 54.13 55.30 2pni s LEU 26 Cb -0.01 -4.16 0.00 0.00 0.03 0.00 0.00 46.19 42.05 2pni s LEU 26 CO 0.06 -0.55 0.00 0.61 0.23 0.00 0.00 176.35 176.70 2pni n GLY 27 N 0.40 0.14 3.70 -3.19 0.00 -1.22 -4.92 105.19 100.11 2pni n GLY 27 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2pni n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pni s ASP 28 N -1.72 6.62 -0.05 1.61 2.15 -1.23 -4.84 116.67 119.22 2pni s ASP 28 Ca 0.00 2.50 -0.02 0.00 0.43 0.00 0.00 52.55 55.46 2pni s ASP 28 Cb 0.00 -2.58 -0.04 0.00 -0.30 0.00 0.00 42.92 40.01 2pni s ASP 28 CO 0.00 -0.84 0.06 -0.63 -0.17 0.00 0.00 175.17 173.59 2pni s ILE 29 N 1.99 4.71 0.10 4.11 1.09 -1.26 -1.23 121.20 130.70 2pni s ILE 29 Ca 0.71 -0.26 0.07 0.00 -1.10 0.00 0.00 60.65 60.07 2pni s ILE 29 Cb -0.41 -3.08 -0.03 0.00 -1.06 0.00 0.00 42.46 37.88 2pni s ILE 29 CO 0.31 0.47 -0.19 -0.76 -0.10 0.00 0.00 174.94 174.68 2pni s LEU 30 N -1.35 2.30 0.08 2.97 1.02 -0.85 -4.33 118.68 118.51 2pni s LEU 30 Ca 0.19 -0.68 0.06 0.00 0.02 0.00 0.00 54.13 53.72 2pni s LEU 30 Cb -0.12 -0.77 -0.03 0.00 0.02 0.00 0.00 46.19 45.30 2pni s LEU 30 CO 0.09 0.01 -0.16 -0.89 0.02 0.00 0.00 176.35 175.41 2pni s THR 31 N -1.26 1.30 0.00 5.49 2.01 -0.90 -1.90 115.64 120.38 2pni s THR 31 Ca 0.04 -1.36 0.00 0.00 0.31 0.00 0.00 61.69 60.69 2pni s THR 31 Cb -0.10 -1.22 0.00 0.00 0.01 0.00 0.00 72.50 71.19 2pni s THR 31 CO 0.04 -0.15 0.00 0.52 -0.69 0.00 0.00 174.62 174.34 2pni n VAL 32 N 1.27 0.00 0.00 3.82 0.31 -1.02 -1.79 118.33 120.92 2pni n VAL 32 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 2pni n VAL 32 Cb 0.54 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 2pni n VAL 32 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2pni n ASN 33 N 0.00 0.00 0.00 4.52 0.23 -1.26 -4.34 115.26 114.41 2pni n ASN 33 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2pni n ASN 33 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2pni n ASN 33 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 2pni n LYS 34 N 0.00 5.35 -1.02 -3.83 2.85 -1.26 -2.07 118.16 118.18 2pni n LYS 34 Ca 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.25 2pni n LYS 34 Cb 0.00 -0.54 0.00 0.00 -0.65 0.00 0.00 35.03 33.85 2pni n LYS 34 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2pni n GLY 35 N 0.23 -0.34 2.35 2.58 0.00 -1.26 -4.19 105.19 104.56 2pni n GLY 35 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 2pni n GLY 35 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pni n SER 36 N -0.11 -0.36 -0.01 1.61 3.41 -1.26 -4.94 113.62 111.96 2pni n SER 36 Ca -0.05 -3.07 0.23 0.00 -0.26 0.00 0.00 58.87 55.72 2pni n SER 36 Cb 0.43 0.11 0.70 0.00 -0.26 0.00 0.00 64.21 65.18 2pni n SER 36 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2pni h LEU 37 N 3.41 0.00 0.00 1.04 3.38 -1.95 -0.32 115.31 120.87 2pni h LEU 37 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2pni h LEU 37 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2pni h LEU 37 CO 0.40 0.00 0.00 0.52 0.09 0.00 0.00 178.44 179.46 2pni n VAL 38 N -3.72 1.85 -0.46 1.22 0.31 -1.25 -2.12 118.33 114.15 2pni n VAL 38 Ca 0.12 0.46 0.41 0.00 -0.01 0.00 0.00 64.34 65.33 2pni n VAL 38 Cb 0.83 -1.46 0.77 0.00 -0.91 0.00 0.00 33.84 33.07 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 1.99 3.35 -0.00 3.52 0.00 -1.39 -0.68 119.26 126.05 2pni h ALA 39 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2pni h ALA 39 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2pni h ALA 39 CO 0.00 -1.78 -0.08 1.28 0.00 0.00 0.00 179.25 178.67 2pni n LEU 40 N -4.13 0.40 0.00 0.00 4.77 -0.90 -4.98 117.00 112.16 2pni n LEU 40 Ca 0.33 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 2pni n LEU 40 Cb 1.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.61 2pni n LEU 40 CO 0.41 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2pni n GLY 41 N 0.81 0.60 3.95 -0.72 0.00 -0.26 -5.07 105.19 104.50 2pni n GLY 41 Ca 0.01 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 45.16 2pni n GLY 41 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pni s PHE 42 N -2.00 3.02 0.42 1.61 0.40 -1.21 -4.95 117.98 115.28 2pni s PHE 42 Ca 0.00 0.21 0.07 0.00 -0.60 0.00 0.00 56.93 56.61 2pni s PHE 42 Cb 0.00 -2.68 -0.03 0.00 0.51 0.00 0.00 43.02 40.82 2pni s PHE 42 CO 0.00 -0.79 0.32 -1.12 0.70 0.00 0.00 175.22 174.33 2pni s SER 43 N -4.36 4.85 0.40 1.36 0.01 -1.26 -3.87 113.70 110.82 2pni s SER 43 Ca 0.55 -0.86 -0.10 0.00 1.31 0.00 0.00 55.95 56.84 2pni s SER 43 Cb -0.10 -0.51 -0.06 0.00 0.21 0.00 0.00 66.02 65.56 2pni s SER 43 CO 0.40 -0.64 0.76 -0.62 0.41 0.00 0.00 173.24 173.55 2pni s ASP 44 N -4.07 6.50 0.00 2.44 2.15 -1.26 -4.42 116.67 118.01 2pni s ASP 44 Ca 0.46 1.10 0.00 0.00 0.43 0.00 0.00 52.55 54.54 2pni s ASP 44 Cb -0.01 -2.31 0.00 0.00 -0.30 0.00 0.00 42.92 40.30 2pni s ASP 44 CO 0.26 -0.40 0.00 0.61 -0.17 0.00 0.00 175.17 175.47 2pni n GLY 45 N -1.35 0.85 0.00 2.66 0.00 -1.26 -4.92 105.19 101.17 2pni n GLY 45 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.09 0.01 0.27 1.61 10.64 -1.26 -4.79 117.38 122.77 2pni n GLN 46 Ca 0.00 -0.18 0.16 0.00 -1.83 0.00 0.00 57.00 55.15 2pni n GLN 46 Cb 0.00 -0.53 0.85 0.00 -0.86 0.00 0.00 30.24 29.70 2pni n GLN 46 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.06 176.28 2pni h GLU 47 N 0.00 0.00 -0.02 2.61 -0.00 -1.91 -0.96 114.58 114.30 2pni h GLU 47 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2pni h GLU 47 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.36 2pni h GLU 47 CO 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 179.01 178.77 2pni n ALA 48 N -1.89 2.99 -3.86 1.06 0.00 -1.26 -4.72 120.51 112.84 2pni n ALA 48 Ca -0.02 -0.62 -0.28 0.00 0.00 0.00 0.00 53.44 52.52 2pni n ALA 48 Cb 0.17 -0.67 -0.12 0.00 0.00 0.00 0.00 19.45 18.83 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 0.41 1.91 0.13 0.00 5.02 -0.37 -4.80 118.16 120.46 2pni n LYS 49 Ca 0.09 -4.52 0.08 0.00 -2.02 0.00 0.00 58.31 51.95 2pni n LYS 49 Cb 0.44 -2.29 0.45 0.00 -0.02 0.00 0.00 35.03 33.61 2pni n LYS 49 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2pni n PRO 50 N 1.85 0.11 -0.18 1.97 -0.02 -1.26 -2.77 135.00 134.70 2pni n PRO 50 Ca 0.21 0.61 -0.05 0.00 -2.02 0.00 0.00 63.50 62.25 2pni n PRO 50 Cb 0.36 -1.86 0.14 0.00 -0.02 0.00 0.00 33.50 32.11 2pni n PRO 50 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2pni h GLU 51 N 0.00 0.95 0.00 -0.52 4.39 -1.91 -3.03 114.58 114.45 2pni h GLU 51 Ca 0.00 -0.21 -0.24 0.00 0.34 0.00 0.00 59.36 59.26 2pni h GLU 51 Cb 0.01 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.49 2pni h GLU 51 CO 0.00 0.85 -1.57 -0.85 -1.16 0.00 0.00 179.01 176.28 2pni n GLU 52 N -4.25 0.63 -2.47 2.33 0.28 -1.11 -4.88 120.64 111.16 2pni n GLU 52 Ca 0.04 0.27 -0.39 0.00 -0.16 0.00 0.00 57.16 56.92 2pni n GLU 52 Cb 0.24 -1.80 -0.04 0.00 1.43 0.00 0.00 31.44 31.27 2pni n GLU 52 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2pni s ILE 53 N -2.75 3.49 0.00 3.84 1.01 -1.15 -5.01 121.20 120.64 2pni s ILE 53 Ca -0.04 1.41 0.00 0.00 0.00 0.00 0.00 60.65 62.02 2pni s ILE 53 Cb 0.08 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.69 2pni s ILE 53 CO 0.82 0.27 0.00 0.61 0.00 0.00 0.00 174.94 176.64 2pni n GLY 54 N 0.98 0.91 3.62 6.18 0.00 -1.26 -4.31 105.19 111.30 2pni n GLY 54 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 0.13 3.27 -0.23 1.61 0.52 -1.26 -1.56 118.94 121.41 2pni s TRP 55 Ca 0.00 0.59 -0.10 0.00 0.02 0.00 0.00 56.10 56.60 2pni s TRP 55 Cb 0.00 -2.67 -0.05 0.00 -1.15 0.00 0.00 33.47 29.60 2pni s TRP 55 CO 0.00 -0.25 0.15 -0.51 0.02 0.00 0.00 176.95 176.36 2pni s LEU 56 N 2.18 4.08 -0.30 2.99 1.02 -0.61 -4.95 118.68 123.09 2pni s LEU 56 Ca 0.20 0.10 -0.15 0.00 0.02 0.00 0.00 54.13 54.30 2pni s LEU 56 Cb -0.16 -2.09 -0.03 0.00 0.02 0.00 0.00 46.19 43.94 2pni s LEU 56 CO 0.09 0.07 0.38 0.21 0.02 0.00 0.00 176.35 177.13 2pni s ASN 57 N 1.00 6.23 0.32 2.29 3.04 -1.26 -1.25 114.94 125.31 2pni s ASN 57 Ca 0.07 0.11 0.05 0.00 0.04 0.00 0.00 52.86 53.14 2pni s ASN 57 Cb -0.13 -2.21 -0.02 0.00 -1.54 0.00 0.00 41.25 37.35 2pni s ASN 57 CO 0.04 -0.25 0.32 0.61 -3.04 0.00 0.00 177.10 174.78 2pni n GLY 58 N 4.78 2.76 3.07 1.21 0.00 -0.82 -4.84 105.19 111.35 2pni n GLY 58 Ca -0.08 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 43.82 2pni n GLY 58 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2pni s TYR 59 N -3.22 2.09 -0.81 1.61 5.04 -0.74 -2.39 117.35 118.92 2pni s TYR 59 Ca 0.36 -1.00 -0.16 0.00 -2.44 0.00 0.00 57.07 53.83 2pni s TYR 59 Cb 0.01 -1.49 0.17 0.00 0.35 0.00 0.00 41.96 41.01 2pni s TYR 59 CO 0.26 -0.50 0.84 1.21 -1.34 0.00 0.00 175.55 176.01 2pni s ASN 60 N 0.98 6.61 0.41 4.32 3.84 0.30 -2.13 114.94 129.28 2pni s ASN 60 Ca -0.06 -2.29 0.17 0.00 0.21 0.00 0.00 52.86 50.88 2pni s ASN 60 Cb -0.15 -2.27 1.06 0.00 -0.55 0.00 0.00 41.25 39.34 2pni s ASN 60 CO -0.02 -0.80 1.86 -0.33 -2.79 0.00 0.00 177.10 175.03 2pni h GLU 61 N 8.33 0.42 -0.97 0.43 5.08 -1.77 -0.96 114.58 125.13 2pni h GLU 61 Ca 0.04 -0.03 0.21 0.00 -1.00 0.00 0.00 59.36 58.59 2pni h GLU 61 Cb 1.05 -0.09 -0.09 0.00 0.50 0.00 0.00 28.75 30.12 2pni h GLU 61 CO 0.91 0.28 0.62 1.15 -1.00 0.00 0.00 179.01 180.97 2pni h THR 62 N 0.43 0.66 -0.05 1.13 2.02 -1.90 -0.94 112.91 114.26 2pni h THR 62 Ca 0.46 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.45 2pni h THR 62 Cb 1.10 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 2pni h THR 62 CO -0.17 0.10 0.00 0.35 0.37 0.00 0.00 175.52 176.16 2pni n THR 63 N -4.62 0.26 -1.48 3.16 -2.24 -0.97 -4.96 114.28 103.44 2pni n THR 63 Ca 0.22 -0.63 -0.17 0.00 -2.27 0.00 0.00 64.05 61.20 2pni n THR 63 Cb 0.68 0.95 -0.07 0.00 -2.10 0.00 0.00 70.33 69.79 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 0.20 1.61 3.68 3.38 0.00 -0.36 -4.97 105.19 108.73 2pni n GLY 64 Ca 0.04 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 2pni n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pni s GLU 65 N -3.37 2.47 0.02 1.61 0.41 -0.74 -4.95 118.70 114.15 2pni s GLU 65 Ca 0.00 -1.03 0.01 0.00 -0.41 0.00 0.00 54.97 53.54 2pni s GLU 65 Cb 0.00 -2.42 -0.02 0.00 -1.78 0.00 0.00 34.13 29.92 2pni s GLU 65 CO 0.00 0.48 -0.05 -0.98 -0.49 0.00 0.00 175.26 174.22 2pni s ARG 66 N -2.82 0.37 0.00 1.61 3.03 -1.26 -0.53 118.95 119.35 2pni s ARG 66 Ca 0.27 -0.50 0.00 0.00 2.03 0.00 0.00 55.73 57.53 2pni s ARG 66 Cb -0.10 -0.15 0.00 0.00 -1.03 0.00 0.00 34.95 33.67 2pni s ARG 66 CO 0.19 0.03 0.00 0.41 -1.13 0.00 0.00 175.30 174.79 2pni n GLY 67 N 2.01 -0.77 3.68 3.88 0.00 -1.01 -4.83 105.19 108.16 2pni n GLY 67 Ca -0.20 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 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 4.96 -0.06 1.61 1.01 -0.80 -1.95 116.67 117.44 2pni s ASP 68 Ca 0.00 -0.23 -0.11 0.00 0.71 0.00 0.00 52.55 52.92 2pni s ASP 68 Cb 0.00 -1.15 0.02 0.00 1.01 0.00 0.00 42.92 42.80 2pni s ASP 68 CO 0.00 0.15 0.26 0.72 0.21 0.00 0.00 175.17 176.51 2pni s PHE 69 N -1.41 -0.21 0.71 4.23 -0.71 -0.38 -4.14 117.98 116.07 2pni s PHE 69 Ca 0.26 0.46 -0.15 0.00 -1.04 0.00 0.00 56.93 56.46 2pni s PHE 69 Cb -0.11 0.08 0.03 0.00 -1.21 0.00 0.00 43.02 41.80 2pni s PHE 69 CO 0.18 -0.24 1.20 -1.25 -1.34 0.00 0.00 175.22 173.78 2pni s PRO 70 N -0.51 2.27 -0.78 1.99 0.04 -1.26 -1.57 135.00 135.18 2pni s PRO 70 Ca -0.06 1.74 -0.04 0.00 0.04 0.00 0.00 61.00 62.68 2pni s PRO 70 Cb -0.04 -1.85 0.15 0.00 0.04 0.00 0.00 34.50 32.81 2pni s PRO 70 CO 0.02 -1.73 2.46 0.41 0.04 0.00 0.00 177.00 178.19 2pni n GLY 71 N 0.32 4.94 0.00 0.56 0.00 -0.60 -4.05 105.19 106.36 2pni n GLY 71 Ca 0.13 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 44.05 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 0.70 0.00 -1.20 2.61 5.66 -1.26 -4.08 114.28 116.70 2pni n THR 72 Ca 0.53 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.44 2pni n THR 72 Cb 0.39 0.00 0.24 0.00 -1.55 0.00 0.00 70.33 69.42 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 -0.58 2.05 -4.09 1.09 4.01 -1.26 -4.92 117.16 113.47 2pni n TYR 73 Ca 0.00 -1.45 -0.10 0.00 -0.16 0.00 0.00 57.90 56.19 2pni n TYR 73 Cb 0.04 -0.66 -0.09 0.00 -0.31 0.00 0.00 39.34 38.33 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 -3.13 0.06 -0.12 -0.72 -7.23 -1.26 -0.32 120.40 107.68 2pni s VAL 74 Ca 0.51 -1.72 -0.04 0.00 -1.81 0.00 0.00 61.98 58.92 2pni s VAL 74 Cb 0.43 -2.10 0.06 0.00 0.56 0.00 0.00 36.38 35.33 2pni s VAL 74 CO 0.08 -0.26 0.21 -0.70 -0.31 0.00 0.00 175.10 174.12 2pni s GLU 75 N -4.05 0.09 0.10 4.82 2.56 -0.21 -4.65 118.70 117.37 2pni s GLU 75 Ca 0.25 0.59 -0.36 0.00 0.00 0.00 0.00 54.97 55.45 2pni s GLU 75 Cb 0.05 -0.30 -0.16 0.00 2.00 0.00 0.00 34.13 35.72 2pni s GLU 75 CO 0.04 -0.34 1.32 0.98 -0.56 0.00 0.00 175.26 176.71 2pni n TYR 76 N 5.33 1.51 0.10 5.30 9.36 -1.26 -1.02 117.16 136.47 2pni n TYR 76 Ca -0.05 0.63 0.00 0.00 3.32 0.00 0.00 57.90 61.80 2pni n TYR 76 Cb 0.50 -2.33 0.00 0.00 -0.63 0.00 0.00 39.34 36.88 2pni n TYR 76 CO 0.00 0.00 0.00 0.44 0.22 0.00 0.00 176.86 177.52 2pni n ILE 77 N 2.41 0.19 -3.33 2.97 -5.35 -0.90 -4.87 119.36 110.48 2pni n ILE 77 Ca 0.18 0.06 -0.24 0.00 -0.27 0.00 0.00 62.75 62.48 2pni n ILE 77 Cb 0.20 -0.60 -0.01 0.00 -1.74 0.00 0.00 39.64 37.49 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 -4.55 1.38 0.20 3.28 0.00 -1.16 -4.92 107.32 101.55 2pni s GLY 78 Ca 0.00 -0.86 0.07 0.00 0.00 0.00 0.00 44.72 43.93 2pni s GLY 78 CO 0.00 -0.79 -0.13 1.09 0.00 0.00 0.00 173.10 173.26 2pni s ARG 79 N -4.30 1.32 0.16 2.90 1.70 -1.26 -1.49 118.95 117.97 2pni s ARG 79 Ca 0.41 -1.59 -0.07 0.00 -0.47 0.00 0.00 55.73 54.01 2pni s ARG 79 Cb -0.10 -1.07 -0.06 0.00 -0.57 0.00 0.00 34.95 33.16 2pni s ARG 79 CO 0.36 0.16 0.01 0.36 -1.08 0.00 0.00 175.30 175.11 2pni n LYS 80 N -0.37 0.00 0.09 3.89 2.85 -1.06 -4.20 118.16 119.35 2pni n LYS 80 Ca -0.08 0.00 0.07 0.00 -1.05 0.00 0.00 58.31 57.25 2pni n LYS 80 Cb 0.61 -0.36 0.36 0.00 -0.65 0.00 0.00 35.03 34.99 2pni n LYS 80 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2pni n LYS 81 N 0.50 0.09 -3.88 -1.58 5.02 -1.25 -4.65 118.16 112.40 2pni n LYS 81 Ca 0.04 0.50 -0.36 0.00 -2.02 0.00 0.00 58.31 56.47 2pni n LYS 81 Cb 0.15 -1.74 -0.06 0.00 -0.02 0.00 0.00 35.03 33.36 2pni n LYS 81 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2pni s ILE 82 N -3.27 5.49 0.23 -0.18 1.01 -1.26 -5.10 121.20 118.12 2pni s ILE 82 Ca 0.01 0.13 0.05 0.00 0.00 0.00 0.00 60.65 60.84 2pni s ILE 82 Cb 0.05 -3.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.04 2pni s ILE 82 CO 0.18 0.55 -0.05 -0.44 0.00 0.00 0.00 174.94 175.18 2pni s SER 83 N -1.24 2.24 0.00 3.58 0.01 -1.26 -5.08 113.70 111.94 2pni s SER 83 Ca 0.18 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 56.28 2pni s SER 83 Cb -0.12 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.04 2pni s SER 83 CO 0.07 -0.39 0.41 -0.81 0.41 0.00 0.00 173.24 172.94