#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 -5.93 0.00 1.61 7.64 -1.26 -4.92 113.62 110.76 2pni n SER 1 Ca 0.00 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.00 2pni n SER 1 Cb 0.00 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 2pni n SER 1 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 2pni n MET 1 N -2.09 1.55 -1.15 1.43 0.00 -1.26 -5.13 117.12 110.47 2pni n MET 1 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.70 57.39 2pni n MET 1 Cb 0.05 -0.13 0.11 0.00 0.00 0.00 0.00 33.22 33.25 2pni n MET 1 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2pni s SER 2 N 0.00 4.08 -0.07 6.12 1.04 -1.26 -4.92 113.70 118.68 2pni s SER 2 Ca 0.00 1.85 -0.33 0.00 0.48 0.00 0.00 55.95 57.95 2pni s SER 2 Cb 0.00 -2.49 -0.11 0.00 0.10 0.00 0.00 66.02 63.52 2pni s SER 2 CO 0.00 -2.31 1.93 0.00 0.98 0.00 0.00 173.24 173.84 2pni n ALA 3 N -3.70 1.09 -2.67 5.32 0.00 -1.26 -4.87 120.51 114.42 2pni n ALA 3 Ca 0.09 0.23 -0.11 0.00 0.00 0.00 0.00 53.44 53.66 2pni n ALA 3 Cb 0.53 -2.57 0.03 0.00 0.00 0.00 0.00 19.45 17.44 2pni n ALA 3 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2pni n GLU 4 N 7.02 1.28 -1.52 0.00 0.28 -1.26 -5.08 120.64 121.36 2pni n GLU 4 Ca 0.23 -3.34 0.00 0.00 -0.16 0.00 0.00 57.16 53.89 2pni n GLU 4 Cb 0.33 -1.32 0.00 0.00 1.43 0.00 0.00 31.44 31.87 2pni n GLU 4 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2pni n GLY 5 N -0.07 0.75 3.84 -1.84 0.00 -1.26 -4.47 105.19 102.14 2pni n GLY 5 Ca 0.12 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 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 -3.09 3.58 0.21 1.61 2.02 -1.00 -4.09 117.35 116.59 2pni s TYR 6 Ca 0.00 1.07 0.10 0.00 -0.37 0.00 0.00 57.07 57.87 2pni s TYR 6 Cb 0.00 -2.39 -0.05 0.00 -0.40 0.00 0.00 41.96 39.13 2pni s TYR 6 CO 0.00 0.39 -0.18 -0.65 -1.57 0.00 0.00 175.55 173.53 2pni s GLN 7 N -2.11 1.43 -0.04 -0.62 -0.21 -0.37 -1.34 119.66 116.41 2pni s GLN 7 Ca 0.40 -1.58 -0.02 0.00 0.02 0.00 0.00 55.36 54.18 2pni s GLN 7 Cb -0.14 -1.45 0.03 0.00 1.00 0.00 0.00 33.01 32.45 2pni s GLN 7 CO 0.19 0.28 0.07 0.71 -2.12 0.00 0.00 175.29 174.42 2pni s TYR 8 N -2.42 0.03 -0.17 0.91 1.51 -0.90 -2.33 117.35 113.97 2pni s TYR 8 Ca 0.22 0.29 -0.20 0.00 -1.01 0.00 0.00 57.07 56.37 2pni s TYR 8 Cb -0.04 -0.42 -0.03 0.00 -0.11 0.00 0.00 41.96 41.36 2pni s TYR 8 CO 0.09 -0.19 0.59 0.50 -1.11 0.00 0.00 175.55 175.44 2pni s ARG 9 N 2.04 4.25 0.17 -0.62 3.52 -0.25 -1.87 118.95 126.18 2pni s ARG 9 Ca 0.03 0.58 -0.31 0.00 -0.13 0.00 0.00 55.73 55.89 2pni s ARG 9 Cb -0.12 -3.54 -0.11 0.00 -1.56 0.00 0.00 34.95 29.62 2pni s ARG 9 CO -0.03 -0.14 1.79 0.00 -0.81 0.00 0.00 175.30 176.11 2pni s ALA 10 N 1.57 3.85 -0.02 6.12 0.00 -0.82 -1.45 121.76 131.00 2pni s ALA 10 Ca 0.28 1.53 -0.02 0.00 0.00 0.00 0.00 51.96 53.75 2pni s ALA 10 Cb -0.16 -3.73 -0.01 0.00 0.00 0.00 0.00 23.12 19.22 2pni s ALA 10 CO 0.11 -1.09 -0.03 -0.11 0.00 0.00 0.00 175.76 174.64 2pni n LEU 11 N 4.88 0.29 -4.89 0.00 7.94 -1.00 -4.24 117.00 119.98 2pni n LEU 11 Ca 0.17 0.25 -0.35 0.00 -1.11 0.00 0.00 56.01 54.97 2pni n LEU 11 Cb 0.37 -0.55 -0.05 0.00 0.53 0.00 0.00 43.42 43.71 2pni n LEU 11 CO 0.65 -0.49 -0.09 -0.31 -1.11 0.00 0.00 177.39 176.04 2pni s TYR 12 N -1.22 3.57 0.18 1.96 1.51 -1.24 -4.76 117.35 117.35 2pni s TYR 12 Ca -0.03 0.53 -0.32 0.00 -1.01 0.00 0.00 57.07 56.24 2pni s TYR 12 Cb 0.00 -1.95 -0.11 0.00 -0.11 0.00 0.00 41.96 39.79 2pni s TYR 12 CO 0.04 0.63 1.67 0.34 -1.11 0.00 0.00 175.55 177.12 2pni s ASP 13 N -1.69 6.47 -0.04 2.29 2.15 -1.26 -4.80 116.67 119.79 2pni s ASP 13 Ca 0.26 2.74 0.03 0.00 0.43 0.00 0.00 52.55 56.01 2pni s ASP 13 Cb -0.13 -2.59 0.01 0.00 -0.30 0.00 0.00 42.92 39.90 2pni s ASP 13 CO 0.16 -0.91 -0.11 -0.47 -0.17 0.00 0.00 175.17 173.66 2pni s TYR 14 N 1.38 1.26 0.33 -5.34 5.04 -0.58 -5.00 117.35 114.44 2pni s TYR 14 Ca 0.73 -0.38 -0.07 0.00 -2.44 0.00 0.00 57.07 54.91 2pni s TYR 14 Cb -0.47 -0.90 -0.06 0.00 0.35 0.00 0.00 41.96 40.88 2pni s TYR 14 CO 0.32 -0.18 0.63 0.21 -1.34 0.00 0.00 175.55 175.19 2pni s LYS 15 N 0.36 3.70 0.11 4.97 2.47 -1.26 -1.50 119.74 128.58 2pni s LYS 15 Ca -0.08 0.19 -0.17 0.00 -1.56 0.00 0.00 55.97 54.35 2pni s LYS 15 Cb -0.12 -2.56 -0.07 0.00 -1.46 0.00 0.00 37.83 33.63 2pni s LYS 15 CO 0.02 0.13 0.56 -1.59 0.16 0.00 0.00 175.35 174.64 2pni s LYS 16 N -3.60 4.11 -0.03 4.03 -2.85 -1.26 -4.92 119.74 115.22 2pni s LYS 16 Ca 0.47 0.64 0.11 0.00 -1.00 0.00 0.00 55.97 56.19 2pni s LYS 16 Cb -0.11 -3.10 -0.23 0.00 -2.06 0.00 0.00 37.83 32.33 2pni s LYS 16 CO 0.30 0.57 0.70 0.93 0.10 0.00 0.00 175.35 177.94 2pni h GLU 17 N 4.12 0.01 -3.88 1.78 4.39 -1.92 -3.49 114.58 115.59 2pni h GLU 17 Ca -0.49 -0.02 -0.20 0.00 0.34 0.00 0.00 59.36 58.99 2pni h GLU 17 Cb 1.21 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.79 2pni h GLU 17 CO 0.64 0.56 -0.12 -0.98 -1.16 0.00 0.00 179.01 177.96 2pni s ARG 18 N -2.60 1.89 0.56 2.33 1.70 -1.26 -5.02 118.95 116.54 2pni s ARG 18 Ca -0.05 -1.62 0.35 0.00 -0.47 0.00 0.00 55.73 53.94 2pni s ARG 18 Cb 0.08 0.47 1.90 0.00 -0.57 0.00 0.00 34.95 36.83 2pni s ARG 18 CO 0.82 -0.80 2.06 1.05 -1.08 0.00 0.00 175.30 177.36 2pni h GLU 19 N 2.13 0.00 -0.19 3.89 4.11 -2.03 -2.30 114.58 120.18 2pni h GLU 19 Ca -0.29 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.02 2pni h GLU 19 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2pni h GLU 19 CO 0.39 0.00 -0.39 1.49 0.07 0.00 0.00 179.01 180.56 2pni h GLU 20 N 0.00 0.43 -6.23 1.06 4.81 -1.97 -3.44 114.58 109.25 2pni h GLU 20 Ca 0.00 -0.21 -0.60 0.00 -0.13 0.00 0.00 59.36 58.42 2pni h GLU 20 Cb 0.14 -0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.44 2pni h GLU 20 CO 0.00 0.76 -0.60 -0.51 -0.73 0.00 0.00 179.01 177.93 2pni s ASP 21 N -6.86 5.37 0.46 1.04 1.11 -0.87 -2.93 116.67 114.00 2pni s ASP 21 Ca -0.06 -0.14 0.06 0.00 0.18 0.00 0.00 52.55 52.59 2pni s ASP 21 Cb 0.13 -1.37 -0.02 0.00 1.07 0.00 0.00 42.92 42.73 2pni s ASP 21 CO 0.80 0.11 0.28 0.27 1.18 0.00 0.00 175.17 177.81 2pni s ILE 22 N -1.62 2.12 0.13 0.77 -4.36 -1.26 -4.66 121.20 112.33 2pni s ILE 22 Ca 0.30 -1.57 -0.30 0.00 -0.26 0.00 0.00 60.65 58.81 2pni s ILE 22 Cb -0.11 -2.69 -0.07 0.00 1.25 0.00 0.00 42.46 40.84 2pni s ILE 22 CO 0.22 0.00 1.19 -1.81 0.24 0.00 0.00 174.94 174.78 2pni s ASP 23 N -4.07 7.10 -0.12 4.36 1.01 -1.26 -4.23 116.67 119.46 2pni s ASP 23 Ca 0.39 2.13 0.03 0.00 0.71 0.00 0.00 52.55 55.80 2pni s ASP 23 Cb 0.00 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.35 2pni s ASP 23 CO 0.22 -0.40 -0.21 -0.76 0.21 0.00 0.00 175.17 174.23 2pni s LEU 24 N 0.32 2.01 0.31 1.23 1.43 -0.56 -5.02 118.68 118.41 2pni s LEU 24 Ca 0.55 -0.54 0.03 0.00 -1.03 0.00 0.00 54.13 53.14 2pni s LEU 24 Cb -0.31 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 2pni s LEU 24 CO 0.33 0.09 0.11 -1.38 0.23 0.00 0.00 176.35 175.74 2pni s HIS 25 N 0.67 1.68 0.63 0.29 -3.43 -1.26 -1.53 115.29 112.35 2pni s HIS 25 Ca -0.11 -1.21 -0.18 0.00 -0.80 0.00 0.00 55.06 52.76 2pni s HIS 25 Cb -0.16 -1.01 -0.02 0.00 -1.43 0.00 0.00 32.58 29.96 2pni s HIS 25 CO 0.02 -0.32 1.22 -0.51 -2.00 0.00 0.00 174.74 173.15 2pni s LEU 26 N -3.42 3.57 0.00 5.38 1.02 -1.26 -2.69 118.68 121.28 2pni s LEU 26 Ca 0.35 2.41 0.00 0.00 0.02 0.00 0.00 54.13 56.90 2pni s LEU 26 Cb 0.06 -4.60 0.00 0.00 0.02 0.00 0.00 46.19 41.67 2pni s LEU 26 CO 0.15 -1.79 0.00 0.61 0.02 0.00 0.00 176.35 175.35 2pni n GLY 27 N 0.51 2.56 3.65 -3.19 0.00 -1.26 -4.96 105.19 102.50 2pni n GLY 27 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.66 6.27 0.15 1.61 1.11 -1.10 -4.93 116.67 117.13 2pni s ASP 28 Ca 0.00 2.54 -0.03 0.00 0.18 0.00 0.00 52.55 55.24 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 -1.21 0.37 -0.51 1.18 0.00 0.00 175.17 174.99 2pni s ILE 29 N 5.14 5.19 0.10 0.77 1.10 -1.26 -1.95 121.20 130.29 2pni s ILE 29 Ca 0.91 -0.10 0.07 0.00 -0.51 0.00 0.00 60.65 61.02 2pni s ILE 29 Cb -0.41 -3.65 -0.03 0.00 0.15 0.00 0.00 42.46 38.52 2pni s ILE 29 CO 0.41 -0.01 -0.17 -0.76 -2.11 0.00 0.00 174.94 172.29 2pni s LEU 30 N -2.81 2.31 0.04 8.50 1.02 -0.78 -3.76 118.68 123.20 2pni s LEU 30 Ca 0.40 -0.68 0.04 0.00 0.02 0.00 0.00 54.13 53.90 2pni s LEU 30 Cb -0.12 -0.70 -0.02 0.00 0.02 0.00 0.00 46.19 45.37 2pni s LEU 30 CO 0.26 -0.02 -0.11 -0.89 0.02 0.00 0.00 176.35 175.60 2pni s THR 31 N -1.37 0.88 0.00 5.49 2.01 -0.82 -2.13 115.64 119.71 2pni s THR 31 Ca 0.04 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 61.05 2pni s THR 31 Cb -0.09 -0.84 0.00 0.00 0.01 0.00 0.00 72.50 71.58 2pni s THR 31 CO 0.03 -0.13 0.00 0.52 -0.69 0.00 0.00 174.62 174.36 2pni n VAL 32 N 1.79 0.00 -1.36 3.82 0.31 -0.45 -1.24 118.33 121.19 2pni n VAL 32 Ca -0.19 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.12 2pni n VAL 32 Cb 0.55 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.49 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 0.03 0.00 4.52 6.94 -1.26 -4.47 115.26 121.02 2pni n ASN 33 Ca 0.00 -1.04 0.00 0.00 -0.02 0.00 0.00 54.58 53.52 2pni n ASN 33 Cb 0.00 -0.06 0.00 0.00 -2.36 0.00 0.00 39.78 37.36 2pni n ASN 33 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 2pni n LYS 34 N -1.18 1.45 -0.78 -3.83 2.85 -1.26 -2.37 118.16 113.04 2pni n LYS 34 Ca 0.01 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.23 2pni n LYS 34 Cb 0.04 -0.58 -0.04 0.00 -0.65 0.00 0.00 35.03 33.80 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 0.79 0.42 2.23 2.58 0.00 -1.26 -3.43 105.19 106.53 2pni n GLY 35 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2pni n GLY 35 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2pni n SER 36 N 0.00 0.42 0.16 1.61 7.64 -1.26 -4.93 113.62 117.26 2pni n SER 36 Ca -0.17 -2.98 0.18 0.00 1.01 0.00 0.00 58.87 56.91 2pni n SER 36 Cb 0.56 -0.43 0.69 0.00 -1.01 0.00 0.00 64.21 64.02 2pni n SER 36 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2pni h LEU 37 N 3.25 0.00 -0.75 -3.43 3.38 -1.94 -1.11 115.31 114.72 2pni h LEU 37 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2pni h LEU 37 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2pni h LEU 37 CO 0.47 0.00 0.00 0.52 0.09 0.00 0.00 178.44 179.52 2pni n VAL 38 N -3.30 1.24 -0.22 1.22 0.31 -1.26 -1.76 118.33 114.56 2pni n VAL 38 Ca 0.05 0.52 0.31 0.00 -0.01 0.00 0.00 64.34 65.21 2pni n VAL 38 Cb 0.65 -1.47 0.73 0.00 -0.91 0.00 0.00 33.84 32.84 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 2.11 2.90 -0.44 3.52 0.00 -1.56 -1.23 119.26 124.56 2pni h ALA 39 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2pni h ALA 39 Cb 0.10 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2pni h ALA 39 CO 0.00 -1.24 0.00 1.28 0.00 0.00 0.00 179.25 179.29 2pni n LEU 40 N -4.15 3.21 -1.44 0.00 4.77 -0.72 -4.92 117.00 113.75 2pni n LEU 40 Ca 0.21 -1.90 -0.18 0.00 -0.03 0.00 0.00 56.01 54.11 2pni n LEU 40 Cb 1.07 -0.29 -0.07 0.00 -2.33 0.00 0.00 43.42 41.80 2pni n LEU 40 CO 0.38 0.79 -0.18 0.61 -1.33 0.00 0.00 177.39 177.66 2pni n GLY 41 N 0.93 1.47 3.83 -0.72 0.00 -0.46 -4.99 105.19 105.24 2pni n GLY 41 Ca 0.16 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.68 3.33 -0.21 1.61 0.40 -1.24 -4.99 117.98 114.19 2pni s PHE 42 Ca 0.00 1.56 0.23 0.00 -0.60 0.00 0.00 56.93 58.12 2pni s PHE 42 Cb 0.00 -2.82 0.49 0.00 0.51 0.00 0.00 43.02 41.21 2pni s PHE 42 CO 0.00 -0.13 1.13 0.45 0.70 0.00 0.00 175.22 177.37 2pni n SER 43 N -0.73 1.43 0.10 1.36 2.88 -1.26 -4.42 113.62 112.98 2pni n SER 43 Ca 0.07 -2.02 0.00 0.00 -1.33 0.00 0.00 58.87 55.59 2pni n SER 43 Cb 0.54 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 2pni n SER 43 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2pni n ASP 44 N -0.40 -0.64 -1.17 -3.46 -0.08 -1.26 -5.14 116.55 104.39 2pni n ASP 44 Ca 0.06 0.37 0.00 0.00 -1.51 0.00 0.00 54.79 53.71 2pni n ASP 44 Cb 0.87 0.75 0.00 0.00 2.34 0.00 0.00 41.12 45.08 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 0.91 -2.27 0.58 0.27 0.00 -1.26 -5.07 105.19 98.34 2pni n GLY 45 Ca 0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 46.02 45.52 2pni n GLY 45 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2pni n GLN 46 N 0.23 0.03 -3.25 1.61 -0.06 -1.26 -5.04 117.38 109.63 2pni n GLN 46 Ca 0.00 0.01 -0.06 0.00 -2.00 0.00 0.00 57.00 54.95 2pni n GLN 46 Cb 0.00 -0.74 -0.01 0.00 -4.06 0.00 0.00 30.24 25.43 2pni n GLN 46 CO 0.00 0.00 0.00 -0.85 -0.20 0.00 0.00 177.06 176.01 2pni n GLU 47 N -2.86 -0.96 0.00 3.69 0.00 -1.26 -4.52 120.64 114.73 2pni n GLU 47 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 57.16 56.94 2pni n GLU 47 Cb 0.52 -0.15 0.00 0.00 0.00 0.00 0.00 31.44 31.82 2pni n GLU 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2pni n ALA 48 N -1.61 0.00 -3.80 -1.84 0.00 -1.26 -5.01 120.51 106.99 2pni n ALA 48 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.09 2pni n ALA 48 Cb 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.45 2pni n ALA 48 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2pni s LYS 49 N -0.23 2.70 0.00 0.00 1.02 -1.26 -4.82 119.74 117.14 2pni s LYS 49 Ca 0.00 -3.20 0.00 0.00 0.02 0.00 0.00 55.97 52.79 2pni s LYS 49 Cb 0.00 -3.62 0.00 0.00 -0.52 0.00 0.00 37.83 33.69 2pni s LYS 49 CO 0.00 -1.25 0.91 -2.30 -0.92 0.00 0.00 175.35 171.79 2pni n PRO 50 N 2.31 0.00 -0.05 -1.68 -0.02 -1.26 -2.48 135.00 131.81 2pni n PRO 50 Ca 0.18 0.41 -0.10 0.00 -2.02 0.00 0.00 63.50 61.97 2pni n PRO 50 Cb 0.36 -1.52 0.04 0.00 -0.02 0.00 0.00 33.50 32.35 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 0.73 0.00 -0.52 4.39 -1.92 -3.25 114.58 114.01 2pni h GLU 51 Ca 0.00 -0.40 -0.22 0.00 0.34 0.00 0.00 59.36 59.08 2pni h GLU 51 Cb 0.05 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.68 2pni h GLU 51 CO 0.00 1.02 -1.52 1.05 -1.16 0.00 0.00 179.01 178.40 2pni h GLU 52 N 0.59 0.00 -6.81 2.33 4.11 -1.85 -3.46 114.58 109.49 2pni h GLU 52 Ca 0.04 0.00 -0.50 0.00 0.07 0.00 0.00 59.36 58.98 2pni h GLU 52 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 2pni h GLU 52 CO 0.09 0.40 0.42 0.42 0.07 0.00 0.00 179.01 180.41 2pni s ILE 53 N -2.77 3.75 0.00 -1.06 1.01 -1.22 -5.01 121.20 115.89 2pni s ILE 53 Ca -0.03 1.70 0.00 0.00 0.00 0.00 0.00 60.65 62.32 2pni s ILE 53 Cb 0.08 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.49 2pni s ILE 53 CO 0.82 0.36 0.00 0.61 0.00 0.00 0.00 174.94 176.73 2pni n GLY 54 N 1.18 0.86 3.64 6.18 0.00 -1.26 -4.43 105.19 111.37 2pni n GLY 54 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 0.09 3.30 0.32 1.61 0.52 -1.26 -1.80 118.94 121.71 2pni s TRP 55 Ca 0.00 0.31 0.06 0.00 0.02 0.00 0.00 56.10 56.49 2pni s TRP 55 Cb 0.00 -2.39 -0.01 0.00 -1.15 0.00 0.00 33.47 29.92 2pni s TRP 55 CO 0.00 -0.04 0.45 -0.51 0.02 0.00 0.00 176.95 176.87 2pni s LEU 56 N 1.41 4.04 -0.04 2.99 1.02 -0.65 -4.97 118.68 122.48 2pni s LEU 56 Ca 0.11 -0.14 -0.00 0.00 0.02 0.00 0.00 54.13 54.12 2pni s LEU 56 Cb -0.15 -2.78 0.03 0.00 0.02 0.00 0.00 46.19 43.31 2pni s LEU 56 CO 0.07 -0.37 0.01 0.21 0.02 0.00 0.00 176.35 176.29 2pni s ASN 57 N -4.14 0.77 0.34 2.29 3.04 -1.26 -1.98 114.94 114.00 2pni s ASN 57 Ca 0.43 -0.03 -0.14 0.00 0.04 0.00 0.00 52.86 53.16 2pni s ASN 57 Cb -0.09 -0.27 0.03 0.00 -1.54 0.00 0.00 41.25 39.38 2pni s ASN 57 CO 0.31 -0.13 0.67 -0.83 -3.04 0.00 0.00 177.10 174.07 2pni s GLY 58 N 1.34 0.54 -0.24 1.21 0.00 -0.92 -4.76 107.32 104.50 2pni s GLY 58 Ca -0.05 -0.84 -0.11 0.00 0.00 0.00 0.00 44.72 43.71 2pni s GLY 58 CO -0.02 -0.46 0.18 -0.47 0.00 0.00 0.00 173.10 172.33 2pni s TYR 59 N -3.01 3.32 -1.09 1.90 6.14 -0.38 -2.18 117.35 122.05 2pni s TYR 59 Ca 0.19 0.26 -0.16 0.00 0.64 0.00 0.00 57.07 58.00 2pni s TYR 59 Cb -0.04 -2.29 0.15 0.00 0.42 0.00 0.00 41.96 40.21 2pni s TYR 59 CO 0.12 0.07 1.31 1.21 0.64 0.00 0.00 175.55 178.89 2pni s ASN 60 N 1.04 6.89 0.40 4.32 3.84 0.11 -1.94 114.94 129.60 2pni s ASN 60 Ca 0.08 -2.60 0.10 0.00 0.21 0.00 0.00 52.86 50.65 2pni s ASN 60 Cb -0.14 -2.40 0.90 0.00 -0.55 0.00 0.00 41.25 39.07 2pni s ASN 60 CO 0.05 -0.88 1.97 -0.33 -2.79 0.00 0.00 177.10 175.12 2pni h GLU 61 N 7.85 0.54 -0.94 0.43 5.08 -1.73 -0.53 114.58 125.28 2pni h GLU 61 Ca 0.25 -0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.70 2pni h GLU 61 Cb 0.94 -0.12 -0.08 0.00 0.50 0.00 0.00 28.75 29.99 2pni h GLU 61 CO 1.19 0.36 0.60 1.15 -1.00 0.00 0.00 179.01 181.31 2pni h THR 62 N 0.56 0.89 -0.02 1.13 2.02 -1.89 -1.05 112.91 114.55 2pni h THR 62 Ca 0.29 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 67.17 2pni h THR 62 Cb 0.40 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 2pni h THR 62 CO -0.09 0.16 -0.43 0.35 0.37 0.00 0.00 175.52 175.88 2pni n THR 63 N -4.59 0.00 -2.29 3.16 -2.24 -0.73 -4.96 114.28 102.64 2pni n THR 63 Ca 0.18 -0.28 -0.16 0.00 -2.27 0.00 0.00 64.05 61.52 2pni n THR 63 Cb 0.39 1.26 -0.01 0.00 -2.10 0.00 0.00 70.33 69.88 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 1.41 -0.26 3.28 3.38 0.00 -0.29 -4.99 105.19 107.73 2pni n GLY 64 Ca 0.10 -0.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.77 1.36 0.04 1.61 0.41 -0.82 -4.99 118.70 111.54 2pni s GLU 65 Ca 0.00 -1.73 0.02 0.00 -0.41 0.00 0.00 54.97 52.84 2pni s GLU 65 Cb 0.00 -0.08 -0.02 0.00 -1.78 0.00 0.00 34.13 32.25 2pni s GLU 65 CO 0.00 -0.34 -0.07 -0.98 -0.49 0.00 0.00 175.26 173.38 2pni s ARG 66 N -4.05 0.52 0.00 1.61 1.70 -1.26 0.10 118.95 117.56 2pni s ARG 66 Ca 0.38 -0.78 0.00 0.00 -0.47 0.00 0.00 55.73 54.86 2pni s ARG 66 Cb 0.07 -0.23 0.00 0.00 -0.57 0.00 0.00 34.95 34.22 2pni s ARG 66 CO 0.14 0.03 0.00 0.41 -1.08 0.00 0.00 175.30 174.80 2pni n GLY 67 N 1.37 -0.81 3.76 3.88 0.00 -0.93 -4.84 105.19 107.62 2pni n GLY 67 Ca -0.22 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 44.85 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 5.33 -0.06 1.61 1.11 -1.15 -2.16 116.67 117.35 2pni s ASP 68 Ca 0.00 -0.16 -0.16 0.00 0.18 0.00 0.00 52.55 52.41 2pni s ASP 68 Cb 0.00 -1.34 0.03 0.00 1.07 0.00 0.00 42.92 42.68 2pni s ASP 68 CO 0.00 0.10 0.37 0.72 1.18 0.00 0.00 175.17 177.54 2pni s PHE 69 N -1.64 -0.30 0.58 4.23 -0.71 -0.84 -4.15 117.98 115.16 2pni s PHE 69 Ca 0.29 0.60 -0.19 0.00 -1.04 0.00 0.00 56.93 56.59 2pni s PHE 69 Cb -0.10 0.14 -0.04 0.00 -1.21 0.00 0.00 43.02 41.80 2pni s PHE 69 CO 0.22 -0.35 1.18 -1.25 -1.34 0.00 0.00 175.22 173.68 2pni s PRO 70 N -0.81 3.08 -0.11 1.99 0.04 -1.26 -1.63 135.00 136.29 2pni s PRO 70 Ca -0.09 1.76 0.04 0.00 0.04 0.00 0.00 61.00 62.75 2pni s PRO 70 Cb -0.04 -1.95 0.28 0.00 0.04 0.00 0.00 34.50 32.83 2pni s PRO 70 CO 0.04 -1.10 1.09 0.41 0.04 0.00 0.00 177.00 177.47 2pni n GLY 71 N 0.40 2.35 0.07 0.56 0.00 -0.74 -3.74 105.19 104.10 2pni n GLY 71 Ca 0.13 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 2pni n GLY 71 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pni n THR 72 N 0.11 0.94 0.44 2.61 -2.24 -1.26 -4.26 114.28 110.62 2pni n THR 72 Ca 0.14 -0.47 0.05 0.00 -2.27 0.00 0.00 64.05 61.50 2pni n THR 72 Cb 0.72 -0.86 0.18 0.00 -2.10 0.00 0.00 70.33 68.27 2pni n THR 72 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2pni n TYR 73 N -2.72 0.77 -4.21 4.78 4.01 -1.24 -4.86 117.16 113.67 2pni n TYR 73 Ca -0.25 -0.30 -0.13 0.00 -0.16 0.00 0.00 57.90 57.05 2pni n TYR 73 Cb 0.88 -0.15 -0.10 0.00 -0.31 0.00 0.00 39.34 39.66 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 -1.69 0.00 -0.11 -0.72 -7.23 -1.26 -2.38 120.40 107.01 2pni s VAL 74 Ca 0.26 -1.99 -0.04 0.00 -1.81 0.00 0.00 61.98 58.40 2pni s VAL 74 Cb 0.17 -2.50 0.05 0.00 0.56 0.00 0.00 36.38 34.67 2pni s VAL 74 CO 0.12 0.00 0.23 -0.70 -0.31 0.00 0.00 175.10 174.45 2pni s GLU 75 N -4.02 0.14 0.54 4.82 2.12 -0.53 -4.79 118.70 116.97 2pni s GLU 75 Ca 0.39 0.63 -0.19 0.00 0.36 0.00 0.00 54.97 56.16 2pni s GLU 75 Cb 0.06 -0.11 -0.09 0.00 0.26 0.00 0.00 34.13 34.25 2pni s GLU 75 CO 0.15 -0.25 0.56 0.98 -0.54 0.00 0.00 175.26 176.16 2pni n TYR 76 N 4.99 -0.54 0.05 5.30 9.36 -1.26 -1.09 117.16 133.96 2pni n TYR 76 Ca -0.12 0.47 0.00 0.00 3.32 0.00 0.00 57.90 61.57 2pni n TYR 76 Cb 0.51 -1.98 0.00 0.00 -0.63 0.00 0.00 39.34 37.24 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 -1.51 0.22 -3.77 2.97 -5.35 -0.98 -4.74 119.36 106.19 2pni n ILE 77 Ca 0.11 0.07 -0.13 0.00 -0.27 0.00 0.00 62.75 62.54 2pni n ILE 77 Cb 0.46 -0.93 -0.10 0.00 -1.74 0.00 0.00 39.64 37.34 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 -4.83 -0.17 0.04 3.28 0.00 -1.24 -5.04 107.32 99.36 2pni s GLY 78 Ca 0.00 0.50 0.05 0.00 0.00 0.00 0.00 44.72 45.27 2pni s GLY 78 CO 0.00 0.33 -0.15 1.09 0.00 0.00 0.00 173.10 174.38 2pni s ARG 79 N -0.77 0.98 -0.41 2.90 1.04 -1.26 -1.23 118.95 120.19 2pni s ARG 79 Ca -0.09 -0.75 0.04 0.00 -1.04 0.00 0.00 55.73 53.90 2pni s ARG 79 Cb -0.04 -0.99 0.17 0.00 -2.04 0.00 0.00 34.95 32.04 2pni s ARG 79 CO 0.03 0.25 0.36 -1.59 -0.04 0.00 0.00 175.30 174.31 2pni s LYS 80 N -1.07 0.89 0.04 3.89 -2.85 -1.26 -5.02 119.74 114.36 2pni s LYS 80 Ca 0.02 -1.97 -0.36 0.00 -1.00 0.00 0.00 55.97 52.67 2pni s LYS 80 Cb -0.08 -1.28 -0.15 0.00 -2.06 0.00 0.00 37.83 34.26 2pni s LYS 80 CO 0.01 -1.37 1.51 0.36 0.10 0.00 0.00 175.35 175.96 2pni n LYS 81 N 2.93 1.51 0.00 1.78 2.85 -1.26 -4.49 118.16 121.48 2pni n LYS 81 Ca 0.28 0.55 0.12 0.00 -1.05 0.00 0.00 58.31 58.21 2pni n LYS 81 Cb 0.48 -2.25 0.30 0.00 -0.65 0.00 0.00 35.03 32.91 2pni n LYS 81 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 177.40 178.86 2pni n ILE 82 N 3.28 0.00 -3.93 0.58 0.00 -1.22 -4.52 119.36 113.55 2pni n ILE 82 Ca 0.19 -0.03 -0.29 0.00 0.00 0.00 0.00 62.75 62.62 2pni n ILE 82 Cb 0.22 0.26 -0.13 0.00 0.00 0.00 0.00 39.64 39.98 2pni n ILE 82 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2pni s SER 83 N -2.87 4.55 0.00 9.51 0.15 -1.26 -5.09 113.70 118.69 2pni s SER 83 Ca 0.15 -3.38 0.06 0.00 0.70 0.00 0.00 55.95 53.48 2pni s SER 83 Cb 0.18 -1.64 0.37 0.00 -1.71 0.00 0.00 66.02 63.22 2pni s SER 83 CO 0.65 -0.17 0.84 -0.81 1.20 0.00 0.00 173.24 174.95