#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pni h SER 1 N 0.00 0.82 -3.12 1.61 4.64 -2.11 -3.41 113.55 111.97 2pni h SER 1 Ca 0.00 -0.22 -0.57 0.00 -0.47 0.00 0.00 61.79 60.53 2pni h SER 1 Cb 0.00 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 61.83 2pni h SER 1 CO 0.00 0.90 1.12 -0.04 -0.87 0.00 0.00 176.83 177.94 2pni s MET 1 N -4.93 3.54 0.26 4.77 1.00 -1.26 -4.94 119.30 117.75 2pni s MET 1 Ca -0.10 1.09 -0.21 0.00 0.00 0.00 0.00 55.69 56.46 2pni s MET 1 Cb 0.14 -4.06 0.03 0.00 0.00 0.00 0.00 34.83 30.94 2pni s MET 1 CO 0.82 -1.60 0.73 -1.54 0.00 0.00 0.00 175.02 173.43 2pni s SER 2 N 4.38 -0.28 -0.75 3.03 1.04 -1.26 -5.11 113.70 114.75 2pni s SER 2 Ca 0.66 -0.54 -0.19 0.00 0.48 0.00 0.00 55.95 56.35 2pni s SER 2 Cb -0.16 0.70 0.12 0.00 0.10 0.00 0.00 66.02 66.78 2pni s SER 2 CO 0.32 -1.29 0.92 0.00 0.98 0.00 0.00 173.24 174.18 2pni s ALA 3 N -3.86 3.39 -0.03 5.32 0.00 -1.26 -4.73 121.76 120.58 2pni s ALA 3 Ca 0.10 -2.43 0.08 0.00 0.00 0.00 0.00 51.96 49.71 2pni s ALA 3 Cb -0.05 -3.79 0.14 0.00 0.00 0.00 0.00 23.12 19.42 2pni s ALA 3 CO 0.05 -2.67 1.06 0.39 0.00 0.00 0.00 175.76 174.60 2pni n GLU 4 N 6.51 0.32 0.00 0.00 1.02 -1.26 -5.06 120.64 122.17 2pni n GLU 4 Ca 0.06 -1.56 0.00 0.00 -0.02 0.00 0.00 57.16 55.64 2pni n GLU 4 Cb 0.46 -0.67 0.00 0.00 -0.02 0.00 0.00 31.44 31.21 2pni n GLU 4 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pni n GLY 5 N -0.25 -3.36 3.98 0.62 0.00 -1.26 -2.74 105.19 102.17 2pni n GLY 5 Ca 0.05 -1.20 -0.25 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.07 1.59 0.07 1.61 2.02 -1.14 -4.50 117.35 116.94 2pni s TYR 6 Ca 0.00 -0.15 -0.06 0.00 -0.37 0.00 0.00 57.07 56.49 2pni s TYR 6 Cb 0.00 -3.22 -0.01 0.00 -0.40 0.00 0.00 41.96 38.33 2pni s TYR 6 CO 0.00 -1.90 0.11 -0.65 -1.57 0.00 0.00 175.55 171.54 2pni s GLN 7 N -5.29 0.75 -0.05 -0.62 -0.21 -0.06 -1.58 119.66 112.59 2pni s GLN 7 Ca 0.68 -1.03 -0.09 0.00 0.02 0.00 0.00 55.36 54.94 2pni s GLN 7 Cb -0.05 0.29 0.02 0.00 1.00 0.00 0.00 33.01 34.27 2pni s GLN 7 CO 0.46 -0.21 0.21 0.71 -2.12 0.00 0.00 175.29 174.35 2pni s TYR 8 N -3.77 -0.16 -0.25 0.91 1.51 -0.94 -0.93 117.35 113.72 2pni s TYR 8 Ca 0.05 0.37 0.01 0.00 -1.01 0.00 0.00 57.07 56.49 2pni s TYR 8 Cb 0.05 0.05 0.04 0.00 -0.11 0.00 0.00 41.96 42.00 2pni s TYR 8 CO -0.10 -0.20 -0.11 0.50 -1.11 0.00 0.00 175.55 174.53 2pni s ARG 9 N -0.47 2.52 -0.24 -0.62 3.52 0.31 -1.76 118.95 122.20 2pni s ARG 9 Ca -0.06 -1.17 -0.40 0.00 -0.13 0.00 0.00 55.73 53.97 2pni s ARG 9 Cb -0.04 -2.87 -0.16 0.00 -1.56 0.00 0.00 34.95 30.32 2pni s ARG 9 CO 0.01 -0.47 1.66 0.00 -0.81 0.00 0.00 175.30 175.69 2pni n ALA 10 N 4.53 -0.47 -0.01 6.12 0.00 -0.98 0.17 120.51 129.88 2pni n ALA 10 Ca -0.16 0.42 -0.00 0.00 0.00 0.00 0.00 53.44 53.70 2pni n ALA 10 Cb 0.45 -2.17 -0.00 0.00 0.00 0.00 0.00 19.45 17.73 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 6.58 -0.00-10.21 0.00 7.12 -1.47 -3.38 115.31 113.95 2pni h LEU 11 Ca -0.46 0.00 -0.51 0.00 0.13 0.00 0.00 57.88 57.03 2pni h LEU 11 Cb 1.33 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.42 2pni h LEU 11 CO 0.93 0.08 -0.36 -0.47 -0.13 0.00 0.00 178.44 178.49 2pni s TYR 12 N -1.11 2.47 -0.21 1.25 6.14 -1.21 -4.78 117.35 119.89 2pni s TYR 12 Ca -0.00 -0.57 -0.27 0.00 0.64 0.00 0.00 57.07 56.88 2pni s TYR 12 Cb 0.00 -2.12 -0.00 0.00 0.42 0.00 0.00 41.96 40.26 2pni s TYR 12 CO 0.00 -0.21 0.93 0.34 0.64 0.00 0.00 175.55 177.25 2pni s ASP 13 N -4.17 7.00 -0.08 4.32 -1.08 -1.26 -4.50 116.67 116.89 2pni s ASP 13 Ca 0.46 1.24 0.03 0.00 -0.52 0.00 0.00 52.55 53.76 2pni s ASP 13 Cb -0.03 -2.49 0.01 0.00 -1.46 0.00 0.00 42.92 38.95 2pni s ASP 13 CO 0.27 -0.55 -0.17 -0.47 0.52 0.00 0.00 175.17 174.77 2pni s TYR 14 N 2.79 1.96 0.03 -5.34 5.04 -0.75 -4.99 117.35 116.09 2pni s TYR 14 Ca 0.40 -0.79 -0.00 0.00 -2.44 0.00 0.00 57.07 54.24 2pni s TYR 14 Cb -0.16 -1.37 0.01 0.00 0.35 0.00 0.00 41.96 40.79 2pni s TYR 14 CO 0.09 -0.36 0.04 1.17 -1.34 0.00 0.00 175.55 175.14 2pni n LYS 15 N 3.76 0.46 -3.25 4.97 4.81 -1.26 -0.22 118.16 127.43 2pni n LYS 15 Ca -0.21 -0.09 -0.36 0.00 -0.87 0.00 0.00 58.31 56.79 2pni n LYS 15 Cb 0.52 -0.03 -0.06 0.00 0.02 0.00 0.00 35.03 35.49 2pni n LYS 15 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2pni s LYS 16 N -2.60 4.09 -0.00 1.64 1.02 -1.26 -4.58 119.74 118.05 2pni s LYS 16 Ca 0.02 0.65 0.01 0.00 0.02 0.00 0.00 55.97 56.67 2pni s LYS 16 Cb -0.00 -2.90 -0.01 0.00 -0.52 0.00 0.00 37.83 34.40 2pni s LYS 16 CO 0.02 0.44 0.02 0.39 -0.92 0.00 0.00 175.35 175.29 2pni n GLU 17 N 0.74 2.93 -3.75 1.68 -0.58 -1.26 -5.06 120.64 115.35 2pni n GLU 17 Ca -0.04 -0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.56 2pni n GLU 17 Cb 0.52 -0.81 -0.09 0.00 -0.57 0.00 0.00 31.44 30.49 2pni n GLU 17 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 2pni s ARG 18 N -1.62 0.63 0.09 3.49 3.52 -1.26 -5.02 118.95 118.77 2pni s ARG 18 Ca -0.00 0.00 0.04 0.00 -0.13 0.00 0.00 55.73 55.65 2pni s ARG 18 Cb 0.00 0.28 0.24 0.00 -1.56 0.00 0.00 34.95 33.92 2pni s ARG 18 CO 0.03 -0.16 1.03 -0.85 -0.81 0.00 0.00 175.30 174.54 2pni n GLU 19 N 1.66 0.03 0.03 5.12 0.28 -1.26 -1.56 120.64 124.94 2pni n GLU 19 Ca -0.19 0.44 -0.20 0.00 -0.16 0.00 0.00 57.16 57.04 2pni n GLU 19 Cb 0.56 -1.74 -0.14 0.00 1.43 0.00 0.00 31.44 31.56 2pni n GLU 19 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2pni h GLU 20 N 0.00 0.27 -7.28 3.44 4.39 -1.99 -3.47 114.58 109.94 2pni h GLU 20 Ca 0.00 -0.47 -0.48 0.00 0.34 0.00 0.00 59.36 58.76 2pni h GLU 20 Cb 0.28 0.17 0.07 0.00 -0.10 0.00 0.00 28.75 29.17 2pni h GLU 20 CO 0.00 1.22 0.27 0.16 -1.16 0.00 0.00 179.01 179.51 2pni s ASP 21 N -6.96 5.41 0.51 1.42 1.47 -0.60 -3.91 116.67 114.01 2pni s ASP 21 Ca -0.15 0.83 0.04 0.00 1.18 0.00 0.00 52.55 54.45 2pni s ASP 21 Cb 0.01 -1.70 0.01 0.00 -0.34 0.00 0.00 42.92 40.90 2pni s ASP 21 CO 0.81 -1.25 0.24 -0.63 0.68 0.00 0.00 175.17 175.02 2pni s ILE 22 N -3.17 1.60 -0.40 2.11 1.01 -1.26 -4.77 121.20 116.33 2pni s ILE 22 Ca 0.56 -1.69 -0.27 0.00 0.00 0.00 0.00 60.65 59.25 2pni s ILE 22 Cb -0.11 -2.29 0.02 0.00 0.01 0.00 0.00 42.46 40.09 2pni s ILE 22 CO 0.48 0.00 1.01 -1.81 0.00 0.00 0.00 174.94 174.62 2pni s ASP 23 N -4.09 6.70 -0.05 3.58 1.01 -1.26 -4.17 116.67 118.40 2pni s ASP 23 Ca 0.26 0.59 -0.02 0.00 0.71 0.00 0.00 52.55 54.09 2pni s ASP 23 Cb -0.00 -2.50 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 2pni s ASP 23 CO 0.16 -0.99 0.08 -0.76 0.21 0.00 0.00 175.17 173.86 2pni s LEU 24 N 3.81 3.96 0.27 1.23 1.43 0.69 -5.00 118.68 125.07 2pni s LEU 24 Ca 0.42 0.22 -0.09 0.00 -1.03 0.00 0.00 54.13 53.65 2pni s LEU 24 Cb -0.10 -2.16 -0.00 0.00 0.03 0.00 0.00 46.19 43.95 2pni s LEU 24 CO 0.22 0.32 0.45 -1.38 0.23 0.00 0.00 176.35 176.20 2pni s HIS 25 N -1.10 0.59 0.74 0.29 -3.43 -1.26 -1.81 115.29 109.30 2pni s HIS 25 Ca 0.19 -0.92 -0.14 0.00 -0.80 0.00 0.00 55.06 53.40 2pni s HIS 25 Cb -0.12 0.08 0.05 0.00 -1.43 0.00 0.00 32.58 31.15 2pni s HIS 25 CO 0.10 -1.01 1.16 -0.51 -2.00 0.00 0.00 174.74 172.48 2pni s LEU 26 N -3.08 3.24 0.00 5.38 1.02 -1.26 -2.86 118.68 121.12 2pni s LEU 26 Ca 0.26 2.19 0.00 0.00 0.02 0.00 0.00 54.13 56.59 2pni s LEU 26 Cb 0.00 -4.57 0.00 0.00 0.02 0.00 0.00 46.19 41.64 2pni s LEU 26 CO 0.12 -2.19 0.00 0.61 0.02 0.00 0.00 176.35 174.91 2pni n GLY 27 N -0.03 1.83 3.62 -3.19 0.00 -1.26 -4.94 105.19 101.22 2pni n GLY 27 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.56 6.64 0.11 1.61 2.15 -1.13 -4.93 116.67 118.56 2pni s ASP 28 Ca 0.00 1.05 -0.04 0.00 0.43 0.00 0.00 52.55 54.00 2pni s ASP 28 Cb 0.00 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 40.03 2pni s ASP 28 CO 0.00 -1.13 0.32 -0.51 -0.17 0.00 0.00 175.17 173.68 2pni s ILE 29 N 4.47 5.24 0.06 4.11 1.10 -1.26 -2.30 121.20 132.61 2pni s ILE 29 Ca 0.55 -0.07 0.08 0.00 -0.51 0.00 0.00 60.65 60.70 2pni s ILE 29 Cb -0.15 -3.62 -0.03 0.00 0.15 0.00 0.00 42.46 38.81 2pni s ILE 29 CO 0.25 0.10 -0.21 -0.76 -2.11 0.00 0.00 174.94 172.20 2pni s LEU 30 N -2.53 2.19 -0.10 8.50 1.02 -0.73 -4.49 118.68 122.55 2pni s LEU 30 Ca 0.38 -0.56 0.01 0.00 0.02 0.00 0.00 54.13 53.99 2pni s LEU 30 Cb -0.12 -0.97 0.02 0.00 0.02 0.00 0.00 46.19 45.13 2pni s LEU 30 CO 0.25 0.14 -0.13 -0.89 0.02 0.00 0.00 176.35 175.74 2pni s THR 31 N -0.87 1.30 0.00 5.49 2.01 -0.88 -2.22 115.64 120.47 2pni s THR 31 Ca 0.07 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 61.55 2pni s THR 31 Cb -0.09 -1.21 0.00 0.00 0.01 0.00 0.00 72.50 71.21 2pni s THR 31 CO 0.02 0.40 0.00 0.52 -0.69 0.00 0.00 174.62 174.87 2pni n VAL 32 N 4.24 0.00 -4.11 3.82 0.31 -0.61 -1.36 118.33 120.62 2pni n VAL 32 Ca -0.19 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.06 2pni n VAL 32 Cb 0.51 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.41 2pni n VAL 32 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2pni n ASN 33 N 0.00 -0.28 -0.23 4.52 3.02 -1.26 -4.45 115.26 116.58 2pni n ASN 33 Ca 0.00 -1.86 0.02 0.00 -0.03 0.00 0.00 54.58 52.71 2pni n ASN 33 Cb 0.00 0.66 0.04 0.00 -0.61 0.00 0.00 39.78 39.88 2pni n ASN 33 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2pni n LYS 34 N -0.25 1.48 0.08 3.52 2.85 -1.26 -2.86 118.16 121.71 2pni n LYS 34 Ca 0.03 -1.31 0.05 0.00 -1.05 0.00 0.00 58.31 56.03 2pni n LYS 34 Cb 0.24 -1.10 0.25 0.00 -0.65 0.00 0.00 35.03 33.77 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 0.07 -0.62 1.68 2.58 0.00 -1.26 -4.80 105.19 102.84 2pni n GLY 35 Ca 0.04 0.09 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.81 -2.45 0.00 1.61 3.41 -1.26 -3.11 113.62 110.01 2pni n SER 36 Ca -0.01 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 2pni n SER 36 Cb 0.07 -1.08 0.00 0.00 -0.26 0.00 0.00 64.21 62.94 2pni n SER 36 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2pni n LEU 37 N -1.14 0.00 0.31 1.04 4.77 -1.26 -4.79 117.00 115.94 2pni n LEU 37 Ca -0.01 0.00 0.20 0.00 -0.03 0.00 0.00 56.01 56.18 2pni n LEU 37 Cb 0.51 0.00 1.01 0.00 -2.33 0.00 0.00 43.42 42.61 2pni n LEU 37 CO 0.08 0.00 1.11 0.58 -1.33 0.00 0.00 177.39 177.83 2pni h VAL 38 N 0.00 0.03 -0.09 4.08 2.07 -1.46 0.08 116.25 120.95 2pni h VAL 38 Ca 0.00 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.34 2pni h VAL 38 Cb 0.00 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2pni h VAL 38 CO 0.00 0.01 0.25 0.00 0.02 0.00 0.00 177.57 177.84 2pni h ALA 39 N 1.99 1.48 -0.02 1.67 0.00 -1.87 -2.02 119.26 120.50 2pni h ALA 39 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pni h ALA 39 Cb 0.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2pni h ALA 39 CO 0.00 -0.29 0.00 1.28 0.00 0.00 0.00 179.25 180.24 2pni n LEU 40 N -3.26 1.61 -0.18 0.00 4.77 -0.29 -4.96 117.00 114.68 2pni n LEU 40 Ca -0.00 -1.05 -0.02 0.00 -0.03 0.00 0.00 56.01 54.90 2pni n LEU 40 Cb 0.33 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 2pni n LEU 40 CO 0.20 0.34 -0.02 0.61 -1.33 0.00 0.00 177.39 177.18 2pni n GLY 41 N 0.36 0.58 3.90 -0.72 0.00 -0.76 -5.05 105.19 103.50 2pni n GLY 41 Ca 0.04 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.03 3.48 0.00 1.61 0.40 -0.14 -4.93 117.98 116.37 2pni s PHE 42 Ca 0.00 0.67 0.00 0.00 -0.60 0.00 0.00 56.93 57.00 2pni s PHE 42 Cb 0.00 -2.13 0.00 0.00 0.51 0.00 0.00 43.02 41.40 2pni s PHE 42 CO 0.00 0.13 0.43 -1.13 0.70 0.00 0.00 175.22 175.35 2pni n SER 43 N -1.05 0.20 -3.15 1.36 3.41 -1.26 -2.92 113.62 110.20 2pni n SER 43 Ca -0.01 -1.08 0.06 0.00 -0.26 0.00 0.00 58.87 57.57 2pni n SER 43 Cb 0.54 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.48 2pni n SER 43 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2pni s ASP 44 N -0.08 -0.28 0.00 4.04 -1.08 -1.26 -5.04 116.67 112.96 2pni s ASP 44 Ca 0.00 0.09 0.00 0.00 -0.52 0.00 0.00 52.55 52.12 2pni s ASP 44 Cb 0.00 1.20 0.00 0.00 -1.46 0.00 0.00 42.92 42.66 2pni s ASP 44 CO 0.00 -0.05 0.00 0.61 0.52 0.00 0.00 175.17 176.25 2pni n GLY 45 N 5.24 0.47 2.63 2.66 0.00 -1.26 -5.09 105.19 109.84 2pni n GLY 45 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 2pni n GLY 45 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pni n GLN 46 N 0.00 -4.46 0.25 1.61 6.02 -1.26 -4.53 117.38 115.00 2pni n GLN 46 Ca 0.00 3.37 0.04 0.00 -0.01 0.00 0.00 57.00 60.40 2pni n GLN 46 Cb 0.00 -4.93 0.21 0.00 1.02 0.00 0.00 30.24 26.54 2pni n GLN 46 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 2pni h GLU 47 N 4.13 0.00 0.00 -1.09 4.11 -1.98 -0.36 114.58 119.39 2pni h GLU 47 Ca -0.53 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.90 2pni h GLU 47 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2pni h GLU 47 CO 0.01 0.00 -0.28 0.00 0.07 0.00 0.00 179.01 178.82 2pni n ALA 48 N -1.51 2.80 -3.84 1.06 0.00 -1.26 -4.47 120.51 113.28 2pni n ALA 48 Ca -0.01 -0.19 -0.28 0.00 0.00 0.00 0.00 53.44 52.96 2pni n ALA 48 Cb 0.69 -1.31 -0.12 0.00 0.00 0.00 0.00 19.45 18.72 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 -3.05 2.15 0.04 0.00 3.01 -0.15 -4.87 119.74 116.88 2pni s LYS 49 Ca 0.11 -3.02 0.10 0.00 -1.01 0.00 0.00 55.97 52.14 2pni s LYS 49 Cb 0.16 -3.13 0.43 0.00 -1.01 0.00 0.00 37.83 34.28 2pni s LYS 49 CO 0.63 -1.26 1.31 -0.35 0.51 0.00 0.00 175.35 176.19 2pni n PRO 50 N 2.34 0.02 -0.16 -1.68 -0.04 -1.26 -3.43 135.00 130.79 2pni n PRO 50 Ca 0.18 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 64.03 2pni n PRO 50 Cb 0.36 -1.56 0.26 0.00 -0.04 0.00 0.00 33.50 32.52 2pni n PRO 50 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2pni h GLU 51 N 0.00 0.87 0.00 0.54 4.11 -1.92 -2.88 114.58 115.30 2pni h GLU 51 Ca 0.00 -0.08 -0.30 0.00 0.07 0.00 0.00 59.36 59.05 2pni h GLU 51 Cb 0.14 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 2pni h GLU 51 CO 0.00 0.62 -1.79 -0.85 0.07 0.00 0.00 179.01 177.06 2pni n GLU 52 N -4.40 0.64 -2.36 1.06 0.28 -1.22 -4.89 120.64 109.75 2pni n GLU 52 Ca 0.06 0.26 -0.35 0.00 -0.16 0.00 0.00 57.16 56.98 2pni n GLU 52 Cb 0.08 -1.76 -0.01 0.00 1.43 0.00 0.00 31.44 31.18 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 -2.59 3.38 0.00 3.84 1.01 -1.09 -5.03 121.20 120.73 2pni s ILE 53 Ca -0.05 0.87 0.00 0.00 0.00 0.00 0.00 60.65 61.47 2pni s ILE 53 Cb 0.08 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 39.19 2pni s ILE 53 CO 0.83 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 176.20 2pni n GLY 54 N 0.03 0.94 3.68 6.18 0.00 -1.26 -4.51 105.19 110.25 2pni n GLY 54 Ca 0.11 0.00 -0.37 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 0.25 3.35 0.00 1.61 0.52 -1.26 -1.55 118.94 121.86 2pni s TRP 55 Ca 0.00 0.33 -0.05 0.00 0.02 0.00 0.00 56.10 56.40 2pni s TRP 55 Cb 0.00 -2.30 -0.05 0.00 -1.15 0.00 0.00 33.47 29.98 2pni s TRP 55 CO 0.00 0.10 0.24 -0.51 0.02 0.00 0.00 176.95 176.80 2pni s LEU 56 N 0.95 4.37 -0.21 2.99 1.02 -0.52 -4.93 118.68 122.35 2pni s LEU 56 Ca 0.10 0.49 -0.07 0.00 0.02 0.00 0.00 54.13 54.67 2pni s LEU 56 Cb -0.13 -2.66 -0.04 0.00 0.02 0.00 0.00 46.19 43.38 2pni s LEU 56 CO 0.04 0.25 0.07 0.20 0.02 0.00 0.00 176.35 176.93 2pni s ASN 57 N -1.78 5.44 0.08 2.29 0.02 -1.26 -1.40 114.94 118.34 2pni s ASN 57 Ca 0.27 -0.03 -0.06 0.00 -1.02 0.00 0.00 52.86 52.02 2pni s ASN 57 Cb -0.13 -1.95 -0.01 0.00 0.02 0.00 0.00 41.25 39.17 2pni s ASN 57 CO 0.17 0.09 0.12 -0.83 0.02 0.00 0.00 177.10 176.67 2pni s GLY 58 N 0.89 0.25 -0.22 0.66 0.00 -0.92 -4.73 107.32 103.24 2pni s GLY 58 Ca 0.04 -0.83 -0.21 0.00 0.00 0.00 0.00 44.72 43.71 2pni s GLY 58 CO 0.03 -0.98 0.65 -0.19 0.00 0.00 0.00 173.10 172.61 2pni s TYR 59 N -3.89 3.35 -1.24 1.90 1.51 -0.46 -2.45 117.35 116.06 2pni s TYR 59 Ca 0.07 0.93 -0.06 0.00 -1.01 0.00 0.00 57.07 56.99 2pni s TYR 59 Cb 0.06 -2.84 0.19 0.00 -0.11 0.00 0.00 41.96 39.25 2pni s TYR 59 CO -0.10 -0.24 2.03 -1.71 -1.11 0.00 0.00 175.55 174.42 2pni n ASN 60 N 5.31 6.75 -0.13 2.29 5.15 0.30 -2.08 115.26 132.85 2pni n ASN 60 Ca -0.00 -3.24 0.23 0.00 -0.60 0.00 0.00 54.58 50.97 2pni n ASN 60 Cb 0.49 -1.37 0.66 0.00 -0.53 0.00 0.00 39.78 39.04 2pni n ASN 60 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2pni h GLU 61 N 5.05 0.10 -0.43 1.20 5.08 -1.80 -0.95 114.58 122.83 2pni h GLU 61 Ca 0.51 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.94 2pni h GLU 61 Cb 0.46 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 2pni h GLU 61 CO 1.48 0.07 0.05 1.79 -1.00 0.00 0.00 179.01 181.39 2pni h THR 62 N 0.10 0.73 -0.01 1.13 1.35 -1.87 -0.58 112.91 113.76 2pni h THR 62 Ca 0.37 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 66.18 2pni h THR 62 Cb 1.33 0.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 2pni h THR 62 CO -0.04 0.03 -0.27 0.35 -0.25 0.00 0.00 175.52 175.34 2pni n THR 63 N -5.15 0.00 -1.56 6.82 -2.24 -0.63 -4.93 114.28 106.59 2pni n THR 63 Ca 0.03 -0.11 -0.03 0.00 -2.27 0.00 0.00 64.05 61.68 2pni n THR 63 Cb 0.21 0.34 -0.01 0.00 -2.10 0.00 0.00 70.33 68.78 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 0.42 3.55 3.38 0.00 -0.23 -5.02 105.19 108.64 2pni n GLY 64 Ca 0.12 -0.87 -0.27 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.18 2.01 0.01 1.61 0.41 -0.80 -4.95 118.70 113.82 2pni s GLU 65 Ca 0.00 -2.24 -0.11 0.00 -0.41 0.00 0.00 54.97 52.21 2pni s GLU 65 Cb 0.00 -0.66 0.01 0.00 -1.78 0.00 0.00 34.13 31.70 2pni s GLU 65 CO 0.00 -0.51 0.22 -0.98 -0.49 0.00 0.00 175.26 173.49 2pni s ARG 66 N -3.69 0.62 0.00 1.61 1.70 -1.26 -0.54 118.95 117.39 2pni s ARG 66 Ca 0.20 -0.41 0.00 0.00 -0.47 0.00 0.00 55.73 55.05 2pni s ARG 66 Cb 0.01 0.27 0.00 0.00 -0.57 0.00 0.00 34.95 34.66 2pni s ARG 66 CO 0.14 -0.17 0.00 0.41 -1.08 0.00 0.00 175.30 174.60 2pni n GLY 67 N 1.12 -0.61 3.69 3.88 0.00 -1.03 -4.87 105.19 107.37 2pni n GLY 67 Ca -0.21 -0.83 -0.23 0.00 0.00 0.00 0.00 46.02 44.75 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 4.67 -0.09 1.61 1.01 -1.25 -2.17 116.67 116.44 2pni s ASP 68 Ca 0.00 -0.67 -0.30 0.00 0.71 0.00 0.00 52.55 52.29 2pni s ASP 68 Cb 0.00 -0.84 0.07 0.00 1.01 0.00 0.00 42.92 43.17 2pni s ASP 68 CO 0.00 -0.13 0.71 0.72 0.21 0.00 0.00 175.17 176.68 2pni s PHE 69 N -2.36 -0.66 0.62 4.23 -0.71 -0.49 -4.04 117.98 114.57 2pni s PHE 69 Ca 0.34 1.21 -0.18 0.00 -1.04 0.00 0.00 56.93 57.26 2pni s PHE 69 Cb -0.05 0.39 -0.02 0.00 -1.21 0.00 0.00 43.02 42.13 2pni s PHE 69 CO 0.21 -0.56 1.25 -1.25 -1.34 0.00 0.00 175.22 173.54 2pni s PRO 70 N -0.95 2.77 -0.57 1.99 0.04 -1.26 -1.43 135.00 135.58 2pni s PRO 70 Ca -0.09 1.94 -0.03 0.00 0.04 0.00 0.00 61.00 62.87 2pni s PRO 70 Cb -0.01 -1.89 0.19 0.00 0.04 0.00 0.00 34.50 32.84 2pni s PRO 70 CO 0.08 -1.40 2.42 0.41 0.04 0.00 0.00 177.00 178.55 2pni n GLY 71 N 0.69 4.79 0.00 0.56 0.00 -0.59 -3.93 105.19 106.71 2pni n GLY 71 Ca 0.15 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.16 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 0.26 0.00 -0.10 2.61 5.66 -1.26 -3.83 114.28 117.62 2pni n THR 72 Ca 0.49 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.49 2pni n THR 72 Cb 0.47 0.79 0.00 0.00 -1.55 0.00 0.00 70.33 70.04 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 0.00 0.00 -4.06 1.09 4.01 -1.25 -5.01 117.16 111.93 2pni n TYR 73 Ca 0.00 -0.42 -0.03 0.00 -0.16 0.00 0.00 57.90 57.29 2pni n TYR 73 Cb 0.45 -0.04 -0.01 0.00 -0.31 0.00 0.00 39.34 39.43 2pni n TYR 73 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 2pni n VAL 74 N -0.42 0.00 -3.35 -0.72 0.24 -1.26 -1.42 118.33 111.40 2pni n VAL 74 Ca 0.00 -0.33 -0.12 0.00 -2.04 0.00 0.00 64.34 61.85 2pni n VAL 74 Cb 0.26 0.13 -0.08 0.00 -1.47 0.00 0.00 33.84 32.68 2pni n VAL 74 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2pni s GLU 75 N -2.21 0.36 0.15 7.34 2.12 0.13 -4.49 118.70 122.09 2pni s GLU 75 Ca 0.03 0.13 -0.32 0.00 0.36 0.00 0.00 54.97 55.17 2pni s GLU 75 Cb 0.00 -0.48 -0.17 0.00 0.26 0.00 0.00 34.13 33.73 2pni s GLU 75 CO 0.02 -0.94 0.81 0.98 -0.54 0.00 0.00 175.26 175.59 2pni n TYR 76 N 5.34 0.23 0.04 5.30 4.19 -1.26 -0.53 117.16 130.46 2pni n TYR 76 Ca -0.01 0.93 0.00 0.00 3.31 0.00 0.00 57.90 62.13 2pni n TYR 76 Cb 0.49 -2.07 0.00 0.00 0.49 0.00 0.00 39.34 38.25 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 0.67 0.01 -2.95 2.97 -5.35 -0.10 -4.82 119.36 109.78 2pni n ILE 77 Ca 0.18 0.00 -0.27 0.00 -0.27 0.00 0.00 62.75 62.39 2pni n ILE 77 Cb 0.21 -0.16 -0.01 0.00 -1.74 0.00 0.00 39.64 37.94 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 -4.25 1.52 -0.29 3.28 0.00 -1.16 -4.88 107.32 101.55 2pni s GLY 78 Ca 0.00 -0.61 -0.19 0.00 0.00 0.00 0.00 44.72 43.92 2pni s GLY 78 CO 0.00 -0.48 1.07 1.09 0.00 0.00 0.00 173.10 174.78 2pni s ARG 79 N -4.42 0.33 0.05 2.90 1.04 -1.26 -0.88 118.95 116.71 2pni s ARG 79 Ca 0.45 0.51 0.00 0.00 -1.04 0.00 0.00 55.73 55.65 2pni s ARG 79 Cb -0.10 0.10 0.00 0.00 -2.04 0.00 0.00 34.95 32.91 2pni s ARG 79 CO 0.40 -0.06 0.00 1.63 -0.04 0.00 0.00 175.30 177.23 2pni n LYS 80 N 3.11 -3.87 -4.00 3.89 5.02 -1.26 -4.03 118.16 117.02 2pni n LYS 80 Ca -0.16 2.78 -0.32 0.00 -2.02 0.00 0.00 58.31 58.59 2pni n LYS 80 Cb 0.57 -3.50 -0.04 0.00 -0.02 0.00 0.00 35.03 32.04 2pni n LYS 80 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2pni n LYS 81 N 1.89 -2.04 -3.11 1.97 4.76 -1.26 -4.87 118.16 115.49 2pni n LYS 81 Ca 0.00 0.23 -0.40 0.00 -2.87 0.00 0.00 58.31 55.27 2pni n LYS 81 Cb 0.00 -4.86 -0.06 0.00 -1.84 0.00 0.00 35.03 28.28 2pni n LYS 81 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 2pni s ILE 82 N -3.03 5.02 0.15 -0.18 -1.16 -1.11 -5.01 121.20 115.89 2pni s ILE 82 Ca 0.63 1.20 -0.11 0.00 -0.51 0.00 0.00 60.65 61.87 2pni s ILE 82 Cb -0.36 -3.95 0.00 0.00 0.61 0.00 0.00 42.46 38.76 2pni s ILE 82 CO 0.78 0.11 0.31 -0.94 -2.81 0.00 0.00 174.94 172.39 2pni s SER 83 N 1.18 -0.01 0.00 4.50 1.04 -1.26 -4.67 113.70 114.48 2pni s SER 83 Ca 0.29 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.99 2pni s SER 83 Cb -0.16 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.41 2pni s SER 83 CO 0.11 -0.89 0.44 -0.81 0.98 0.00 0.00 173.24 173.07