#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 0.00 -3.08 1.61 0.02 -2.06 -3.42 113.55 106.61 2pni h SER 1 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 2pni h SER 1 Cb 0.00 0.00 0.08 0.00 0.14 0.00 0.00 62.40 62.62 2pni h SER 1 CO 0.00 0.00 0.94 -0.32 -1.14 0.00 0.00 176.83 176.31 2pni s MET 1 N -4.28 4.11 -0.30 3.45 -2.45 -1.26 -4.98 119.30 113.60 2pni s MET 1 Ca -0.05 2.60 -0.13 0.00 -1.25 0.00 0.00 55.69 56.87 2pni s MET 1 Cb 0.13 -3.04 0.18 0.00 1.25 0.00 0.00 34.83 33.35 2pni s MET 1 CO 0.43 -0.69 1.04 -1.12 1.05 0.00 0.00 175.02 175.73 2pni s SER 2 N 0.75 -0.47 0.84 1.11 0.01 -1.26 -5.15 113.70 109.53 2pni s SER 2 Ca 0.68 0.27 0.00 0.00 1.31 0.00 0.00 55.95 58.21 2pni s SER 2 Cb -0.49 1.38 0.00 0.00 0.21 0.00 0.00 66.02 67.13 2pni s SER 2 CO 0.42 -0.09 0.00 0.00 0.41 0.00 0.00 173.24 173.99 2pni n ALA 3 N 5.45 0.00 0.02 1.44 0.00 -1.26 -4.90 120.51 121.26 2pni n ALA 3 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2pni n ALA 3 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 2pni n ALA 3 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2pni n GLU 4 N -0.15 0.00 0.00 0.00 1.02 -1.26 -5.12 120.64 115.13 2pni n GLU 4 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2pni n GLU 4 Cb 0.00 -0.05 0.00 0.00 -0.02 0.00 0.00 31.44 31.37 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 2.69 1.47 3.95 0.62 0.00 -1.26 -4.69 105.19 107.96 2pni n GLY 5 Ca 0.00 -0.88 -0.24 0.00 0.00 0.00 0.00 46.02 44.90 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 4.46 3.48 0.21 1.61 2.02 -1.11 -3.48 117.35 124.54 2pni s TYR 6 Ca 0.00 0.23 0.03 0.00 -0.37 0.00 0.00 57.07 56.96 2pni s TYR 6 Cb 0.00 -1.78 -0.05 0.00 -0.40 0.00 0.00 41.96 39.73 2pni s TYR 6 CO 0.00 0.30 0.00 -0.65 -1.57 0.00 0.00 175.55 173.64 2pni s GLN 7 N -3.90 1.24 -0.04 -0.62 -0.21 -1.01 -2.26 119.66 112.86 2pni s GLN 7 Ca 0.38 -1.62 0.00 0.00 0.02 0.00 0.00 55.36 54.14 2pni s GLN 7 Cb -0.10 -0.44 0.03 0.00 1.00 0.00 0.00 33.01 33.50 2pni s GLN 7 CO 0.32 -0.12 -0.01 0.71 -2.12 0.00 0.00 175.29 174.06 2pni s TYR 8 N -3.55 0.46 -0.36 0.91 1.51 -0.93 -2.56 117.35 112.84 2pni s TYR 8 Ca 0.27 -0.07 -0.22 0.00 -1.01 0.00 0.00 57.07 56.05 2pni s TYR 8 Cb 0.06 -0.52 0.01 0.00 -0.11 0.00 0.00 41.96 41.39 2pni s TYR 8 CO 0.07 -0.17 0.70 1.03 -1.11 0.00 0.00 175.55 176.07 2pni s ARG 9 N 1.12 3.72 -0.22 -0.62 0.52 -0.35 -2.01 118.95 121.12 2pni s ARG 9 Ca -0.08 0.18 -0.40 0.00 -0.52 0.00 0.00 55.73 54.90 2pni s ARG 9 Cb -0.14 -3.81 -0.16 0.00 0.52 0.00 0.00 34.95 31.36 2pni s ARG 9 CO -0.02 -0.78 1.62 0.00 0.02 0.00 0.00 175.30 176.15 2pni n ALA 10 N 6.20 -0.61 0.08 2.13 0.00 -0.85 -1.21 120.51 126.25 2pni n ALA 10 Ca 0.01 0.43 -0.22 0.00 0.00 0.00 0.00 53.44 53.66 2pni n ALA 10 Cb 0.48 -2.14 -0.14 0.00 0.00 0.00 0.00 19.45 17.65 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 6.28 0.76 -8.26 0.00 5.85 -1.42 -3.41 115.31 115.12 2pni h LEU 11 Ca -0.47 -0.85 -0.13 0.00 0.84 0.00 0.00 57.88 57.27 2pni h LEU 11 Cb 1.33 -0.24 -0.15 0.00 0.37 0.00 0.00 40.66 41.97 2pni h LEU 11 CO 0.91 1.54 -0.67 -0.31 -0.34 0.00 0.00 178.44 179.58 2pni s TYR 12 N -2.86 0.55 0.04 1.25 1.51 -1.24 -5.00 117.35 111.61 2pni s TYR 12 Ca -0.11 -1.08 -0.31 0.00 -1.01 0.00 0.00 57.07 54.57 2pni s TYR 12 Cb 0.04 -0.40 -0.06 0.00 -0.11 0.00 0.00 41.96 41.44 2pni s TYR 12 CO 0.90 -0.40 1.33 0.34 -1.11 0.00 0.00 175.55 176.62 2pni s ASP 13 N -2.93 6.92 -0.07 2.29 2.15 -1.26 -4.64 116.67 119.12 2pni s ASP 13 Ca 0.09 2.13 0.03 0.00 0.43 0.00 0.00 52.55 55.22 2pni s ASP 13 Cb 0.08 -2.57 0.01 0.00 -0.30 0.00 0.00 42.92 40.14 2pni s ASP 13 CO -0.09 -0.63 -0.15 -0.47 -0.17 0.00 0.00 175.17 173.66 2pni s TYR 14 N 1.67 1.72 0.31 -5.34 5.04 -0.36 -4.96 117.35 115.43 2pni s TYR 14 Ca 0.62 -0.65 -0.07 0.00 -2.44 0.00 0.00 57.07 54.53 2pni s TYR 14 Cb -0.32 -1.22 -0.06 0.00 0.35 0.00 0.00 41.96 40.71 2pni s TYR 14 CO 0.28 -0.30 0.61 0.21 -1.34 0.00 0.00 175.55 175.02 2pni s LYS 15 N 0.53 3.70 0.66 4.97 2.20 -1.26 -0.89 119.74 129.66 2pni s LYS 15 Ca -0.15 0.18 -0.03 0.00 -0.36 0.00 0.00 55.97 55.62 2pni s LYS 15 Cb -0.16 -2.57 0.07 0.00 -1.51 0.00 0.00 37.83 33.66 2pni s LYS 15 CO 0.05 0.16 0.93 -1.59 -0.36 0.00 0.00 175.35 174.54 2pni s LYS 16 N -3.51 2.16 0.00 4.03 0.00 -1.26 -4.91 119.74 116.25 2pni s LYS 16 Ca 0.47 -0.65 0.00 0.00 0.00 0.00 0.00 55.97 55.79 2pni s LYS 16 Cb -0.11 -2.32 0.00 0.00 0.00 0.00 0.00 37.83 35.41 2pni s LYS 16 CO 0.29 -1.12 0.00 -1.91 0.00 0.00 0.00 175.35 172.60 2pni n GLU 17 N -2.71 0.20 -4.17 1.78 0.00 -1.26 -5.05 120.64 109.42 2pni n GLU 17 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 57.16 57.11 2pni n GLU 17 Cb 0.60 -0.01 -0.11 0.00 0.00 0.00 0.00 31.44 31.92 2pni n GLU 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2pni s ARG 18 N -0.03 0.83 0.59 5.31 6.06 -1.26 -5.02 118.95 125.43 2pni s ARG 18 Ca 0.00 -1.12 0.39 0.00 -2.50 0.00 0.00 55.73 52.50 2pni s ARG 18 Cb 0.00 -0.56 2.04 0.00 0.06 0.00 0.00 34.95 36.49 2pni s ARG 18 CO 0.00 0.09 2.19 1.49 -2.50 0.00 0.00 175.30 176.58 2pni h GLU 19 N 3.67 0.00 -0.03 5.12 4.81 -2.03 -1.80 114.58 124.32 2pni h GLU 19 Ca -0.38 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.72 2pni h GLU 19 Cb 1.19 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 2pni h GLU 19 CO 0.51 0.00 -0.60 0.93 -0.73 0.00 0.00 179.01 179.12 2pni h GLU 20 N 0.00 0.10 -6.16 1.92 5.08 -1.97 -3.45 114.58 110.11 2pni h GLU 20 Ca 0.00 -0.07 -0.61 0.00 -1.00 0.00 0.00 59.36 57.68 2pni h GLU 20 Cb 0.11 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.29 2pni h GLU 20 CO 0.00 0.67 -0.57 -0.51 -1.00 0.00 0.00 179.01 177.60 2pni s ASP 21 N -6.87 5.64 0.46 1.42 1.11 -0.68 -2.65 116.67 115.11 2pni s ASP 21 Ca -0.03 -0.02 0.05 0.00 0.18 0.00 0.00 52.55 52.74 2pni s ASP 21 Cb 0.12 -1.53 -0.03 0.00 1.07 0.00 0.00 42.92 42.55 2pni s ASP 21 CO 0.78 0.13 0.16 0.27 1.18 0.00 0.00 175.17 177.68 2pni s ILE 22 N -1.55 1.86 0.15 0.77 -4.36 -1.26 -4.65 121.20 112.16 2pni s ILE 22 Ca 0.31 -1.77 -0.30 0.00 -0.26 0.00 0.00 60.65 58.62 2pni s ILE 22 Cb -0.11 -2.63 -0.07 0.00 1.25 0.00 0.00 42.46 40.89 2pni s ILE 22 CO 0.23 0.00 1.16 -1.81 0.24 0.00 0.00 174.94 174.76 2pni s ASP 23 N -3.94 7.15 -0.03 4.36 1.01 -1.26 -4.20 116.67 119.75 2pni s ASP 23 Ca 0.30 2.12 0.04 0.00 0.71 0.00 0.00 52.55 55.73 2pni s ASP 23 Cb 0.03 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.36 2pni s ASP 23 CO 0.17 -0.34 -0.17 -0.76 0.21 0.00 0.00 175.17 174.29 2pni s LEU 24 N 0.04 1.94 0.25 1.23 1.43 -0.07 -5.01 118.68 118.50 2pni s LEU 24 Ca 0.53 -0.33 -0.02 0.00 -1.03 0.00 0.00 54.13 53.28 2pni s LEU 24 Cb -0.30 -0.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.97 2pni s LEU 24 CO 0.34 0.16 0.27 -1.38 0.23 0.00 0.00 176.35 175.97 2pni s HIS 25 N -0.07 1.13 0.76 0.29 -3.43 -1.26 -1.23 115.29 111.48 2pni s HIS 25 Ca -0.01 -1.31 -0.12 0.00 -0.80 0.00 0.00 55.06 52.82 2pni s HIS 25 Cb -0.10 -0.39 0.05 0.00 -1.43 0.00 0.00 32.58 30.71 2pni s HIS 25 CO 0.01 -0.82 1.12 -0.51 -2.00 0.00 0.00 174.74 172.54 2pni s LEU 26 N -3.19 3.13 0.00 5.38 1.43 -1.26 -2.91 118.68 121.26 2pni s LEU 26 Ca 0.35 1.99 0.00 0.00 -1.03 0.00 0.00 54.13 55.44 2pni s LEU 26 Cb 0.04 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.71 2pni s LEU 26 CO 0.16 -2.12 0.00 0.61 0.23 0.00 0.00 176.35 175.23 2pni n GLY 27 N -0.63 1.25 3.73 -3.19 0.00 -1.26 -4.97 105.19 100.12 2pni n GLY 27 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.83 6.65 -0.16 1.61 1.11 -1.15 -4.93 116.67 116.97 2pni s ASP 28 Ca 0.00 2.63 -0.00 0.00 0.18 0.00 0.00 52.55 55.35 2pni s ASP 28 Cb 0.00 -2.61 0.04 0.00 1.07 0.00 0.00 42.92 41.42 2pni s ASP 28 CO 0.00 -0.73 -0.07 -0.63 1.18 0.00 0.00 175.17 174.92 2pni s ILE 29 N 0.42 1.20 -0.20 0.77 1.01 -1.26 -2.01 121.20 121.14 2pni s ILE 29 Ca 0.63 -0.63 -0.11 0.00 0.00 0.00 0.00 60.65 60.55 2pni s ILE 29 Cb -0.42 -1.32 -0.05 0.00 0.01 0.00 0.00 42.46 40.68 2pni s ILE 29 CO 0.39 0.19 0.15 -0.76 0.00 0.00 0.00 174.94 174.91 2pni s LEU 30 N 1.60 4.21 0.02 2.97 1.02 -0.85 -4.69 118.68 122.96 2pni s LEU 30 Ca 0.01 0.27 0.00 0.00 0.02 0.00 0.00 54.13 54.43 2pni s LEU 30 Cb -0.15 -2.13 -0.04 0.00 0.02 0.00 0.00 46.19 43.89 2pni s LEU 30 CO -0.08 0.17 0.10 -0.89 0.02 0.00 0.00 176.35 175.67 2pni s THR 31 N 0.39 4.80 0.00 5.49 2.01 -1.01 -2.19 115.64 125.12 2pni s THR 31 Ca 0.09 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 61.62 2pni s THR 31 Cb -0.11 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 69.16 2pni s THR 31 CO -0.01 0.28 0.00 0.52 -0.69 0.00 0.00 174.62 174.71 2pni n VAL 32 N 0.91 0.00 -2.08 3.82 0.31 -0.96 -2.10 118.33 118.25 2pni n VAL 32 Ca -0.11 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 63.94 2pni n VAL 32 Cb 0.52 0.00 0.15 0.00 -0.91 0.00 0.00 33.84 33.60 2pni n VAL 32 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2pni s ASN 33 N 1.00 3.72 -0.07 4.52 0.01 -1.26 -4.19 114.94 118.67 2pni s ASN 33 Ca 0.00 0.25 0.07 0.00 -0.71 0.00 0.00 52.86 52.47 2pni s ASN 33 Cb 0.00 -0.48 -0.10 0.00 0.41 0.00 0.00 41.25 41.08 2pni s ASN 33 CO 0.00 -2.33 0.04 2.29 -1.51 0.00 0.00 177.10 175.59 2pni n LYS 34 N -3.44 2.45 -2.56 -0.60 2.85 -1.26 -2.74 118.16 112.85 2pni n LYS 34 Ca 0.13 -0.01 -0.02 0.00 -1.05 0.00 0.00 58.31 57.36 2pni n LYS 34 Cb 0.60 -1.20 0.12 0.00 -0.65 0.00 0.00 35.03 33.90 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 2.46 1.75 2.39 2.58 0.00 -1.26 -4.89 105.19 108.22 2pni n GLY 35 Ca -0.11 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.58 2pni n GLY 35 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2pni n SER 36 N -1.39 -0.73 0.06 1.61 2.88 -1.26 -4.94 113.62 109.85 2pni n SER 36 Ca -0.16 -3.03 0.21 0.00 -1.33 0.00 0.00 58.87 54.56 2pni n SER 36 Cb 0.84 0.27 0.73 0.00 -0.75 0.00 0.00 64.21 65.30 2pni n SER 36 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2pni h LEU 37 N 3.67 0.00 0.00 2.46 3.38 -1.93 -1.47 115.31 121.42 2pni h LEU 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 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 0.40 0.00 0.00 0.52 0.09 0.00 0.00 178.44 179.45 2pni n VAL 38 N -3.74 1.28 -0.36 1.22 0.31 -1.26 -2.27 118.33 113.51 2pni n VAL 38 Ca 0.09 0.32 0.29 0.00 -0.01 0.00 0.00 64.34 65.03 2pni n VAL 38 Cb 0.67 -1.17 0.60 0.00 -0.91 0.00 0.00 33.84 33.03 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 2.33 2.57 -0.01 3.52 0.00 -1.63 -0.76 119.26 125.28 2pni h ALA 39 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2pni h ALA 39 Cb 0.14 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2pni h ALA 39 CO 0.00 -1.02 -0.39 1.28 0.00 0.00 0.00 179.25 179.12 2pni n LEU 40 N -4.54 1.71 0.00 0.00 4.32 -0.96 -4.96 117.00 112.58 2pni n LEU 40 Ca 0.29 -0.75 0.00 0.00 -0.02 0.00 0.00 56.01 55.52 2pni n LEU 40 Cb 1.11 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.91 2pni n LEU 40 CO 0.28 0.33 0.00 0.61 -1.22 0.00 0.00 177.39 177.38 2pni n GLY 41 N 1.24 0.49 3.79 -0.72 0.00 -0.29 -5.05 105.19 104.66 2pni n GLY 41 Ca 0.07 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 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 3.36 -0.11 1.61 0.40 -1.24 -4.98 117.98 115.01 2pni s PHE 42 Ca 0.00 1.67 0.24 0.00 -0.60 0.00 0.00 56.93 58.23 2pni s PHE 42 Cb 0.00 -3.03 0.46 0.00 0.51 0.00 0.00 43.02 40.96 2pni s PHE 42 CO 0.00 -0.35 1.15 0.43 0.70 0.00 0.00 175.22 177.15 2pni n SER 43 N -0.08 1.36 0.00 1.36 7.64 -1.26 -4.36 113.62 118.28 2pni n SER 43 Ca 0.05 -2.15 0.00 0.00 1.01 0.00 0.00 58.87 57.78 2pni n SER 43 Cb 0.51 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 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 -0.01 0.00 0.00 6.43 2.03 -1.26 -5.10 116.55 118.64 2pni n ASP 44 Ca 0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.39 2pni n ASP 44 Cb 1.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.40 2pni n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pni n GLY 45 N 4.03 -0.30 0.00 0.27 0.00 -1.26 -5.10 105.19 102.83 2pni n GLY 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -4.17 1.61 6.02 -1.26 -4.86 117.38 114.72 2pni n GLN 46 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.63 2pni n GLN 46 Cb 0.00 -0.72 -0.03 0.00 1.02 0.00 0.00 30.24 30.50 2pni n GLN 46 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2pni n GLU 47 N -0.26 -2.78 0.00 -1.09 2.13 -1.26 -4.59 120.64 112.79 2pni n GLU 47 Ca 0.00 0.33 0.00 0.00 0.66 0.00 0.00 57.16 58.15 2pni n GLU 47 Cb 0.00 -5.04 0.00 0.00 0.27 0.00 0.00 31.44 26.67 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 -4.22 0.01 -3.91 4.31 0.00 -1.26 -5.01 120.51 110.43 2pni n ALA 48 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.23 2pni n ALA 48 Cb 0.49 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.27 2.18 0.63 0.00 3.01 -1.26 -4.72 119.74 119.31 2pni s LYS 49 Ca 0.00 -2.96 0.32 0.00 -1.01 0.00 0.00 55.97 52.32 2pni s LYS 49 Cb 0.00 -3.31 1.80 0.00 -1.01 0.00 0.00 37.83 35.31 2pni s LYS 49 CO 0.00 -1.20 2.10 -1.35 0.51 0.00 0.00 175.35 175.41 2pni h PRO 50 N 5.94 0.00 -0.57 -1.68 0.11 -1.91 -2.99 132.00 130.91 2pni h PRO 50 Ca 0.04 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.22 2pni h PRO 50 Cb 0.82 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.87 2pni h PRO 50 CO 0.69 0.00 0.25 0.93 -0.21 0.00 0.00 178.00 179.66 2pni h GLU 51 N 0.00 0.45 0.00 1.05 5.08 -1.92 -2.66 114.58 116.58 2pni h GLU 51 Ca 0.05 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.20 2pni h GLU 51 Cb 0.47 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 2pni h GLU 51 CO -0.00 0.30 -1.45 -0.85 -1.00 0.00 0.00 179.01 176.00 2pni n GLU 52 N -4.94 0.62 -1.60 2.33 0.28 -1.13 -4.90 120.64 111.30 2pni n GLU 52 Ca 0.07 0.24 -0.34 0.00 -0.16 0.00 0.00 57.16 56.97 2pni n GLU 52 Cb 0.21 -1.81 0.07 0.00 1.43 0.00 0.00 31.44 31.34 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 -2.87 2.58 0.00 3.84 1.01 -1.00 -5.03 121.20 119.73 2pni s ILE 53 Ca -0.03 0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.91 2pni s ILE 53 Cb 0.09 -2.88 0.00 0.00 0.01 0.00 0.00 42.46 39.68 2pni s ILE 53 CO 0.81 -0.15 0.00 0.61 0.00 0.00 0.00 174.94 176.22 2pni n GLY 54 N 0.19 1.04 3.87 6.18 0.00 -1.26 -4.56 105.19 110.64 2pni n GLY 54 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 0.52 3.52 -0.19 1.61 0.52 -1.26 -1.07 118.94 122.59 2pni s TRP 55 Ca 0.00 0.86 -0.00 0.00 0.02 0.00 0.00 56.10 56.98 2pni s TRP 55 Cb 0.00 -2.23 0.01 0.00 -1.15 0.00 0.00 33.47 30.10 2pni s TRP 55 CO 0.00 0.40 -0.15 -0.51 0.02 0.00 0.00 176.95 176.71 2pni s LEU 56 N -2.31 2.37 -0.25 2.99 1.43 -0.25 -4.87 118.68 117.80 2pni s LEU 56 Ca 0.40 -0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 52.81 2pni s LEU 56 Cb -0.13 -1.56 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 2pni s LEU 56 CO 0.20 -0.00 0.25 0.20 0.23 0.00 0.00 176.35 177.22 2pni s ASN 57 N 1.33 6.18 0.10 2.29 0.02 -1.26 -1.29 114.94 122.31 2pni s ASN 57 Ca 0.05 0.19 -0.06 0.00 -1.02 0.00 0.00 52.86 52.02 2pni s ASN 57 Cb -0.13 -2.15 0.02 0.00 0.02 0.00 0.00 41.25 39.01 2pni s ASN 57 CO -0.10 -0.03 0.28 0.61 0.02 0.00 0.00 177.10 177.89 2pni n GLY 58 N 4.45 1.45 3.12 0.66 0.00 -1.04 -4.87 105.19 108.97 2pni n GLY 58 Ca -0.12 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 2pni n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pni s TYR 59 N -6.06 2.11 -1.20 1.61 2.02 -0.89 -2.35 117.35 112.59 2pni s TYR 59 Ca 0.06 -0.89 -0.04 0.00 -0.37 0.00 0.00 57.07 55.83 2pni s TYR 59 Cb -0.01 -1.46 0.21 0.00 -0.40 0.00 0.00 41.96 40.29 2pni s TYR 59 CO 0.03 -0.40 2.07 -1.71 -1.57 0.00 0.00 175.55 173.97 2pni n ASN 60 N 3.79 7.33 -0.49 2.29 5.15 0.79 -2.40 115.26 131.73 2pni n ASN 60 Ca -0.20 -3.33 0.40 0.00 -0.60 0.00 0.00 54.58 50.84 2pni n ASN 60 Cb 0.52 -1.31 0.70 0.00 -0.53 0.00 0.00 39.78 39.16 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 4.70 0.07 -0.23 1.20 5.08 -1.85 -0.83 114.58 122.72 2pni h GLU 61 Ca 0.57 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.97 2pni h GLU 61 Cb 0.38 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 2pni h GLU 61 CO 1.39 0.05 -0.07 1.79 -1.00 0.00 0.00 179.01 181.17 2pni h THR 62 N 0.07 0.73 -0.08 1.13 1.35 -1.87 -1.56 112.91 112.68 2pni h THR 62 Ca 0.81 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.67 2pni h THR 62 Cb 2.76 0.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.92 2pni h THR 62 CO -0.27 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.35 2pni n THR 63 N -5.23 0.09 -2.67 6.82 -2.24 -0.45 -4.92 114.28 105.69 2pni n THR 63 Ca -0.02 -0.29 -0.18 0.00 -2.27 0.00 0.00 64.05 61.30 2pni n THR 63 Cb 0.15 0.44 0.02 0.00 -2.10 0.00 0.00 70.33 68.84 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 1.16 -0.30 3.32 3.38 0.00 -0.45 -5.00 105.19 107.29 2pni n GLY 64 Ca 0.18 -0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 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 -5.24 1.31 0.06 1.61 2.02 -0.88 -4.96 118.70 112.62 2pni s GLU 65 Ca 0.15 -1.66 -0.14 0.00 0.02 0.00 0.00 54.97 53.35 2pni s GLU 65 Cb -0.07 -0.59 0.02 0.00 0.10 0.00 0.00 34.13 33.59 2pni s GLU 65 CO 0.19 -0.09 0.31 -0.98 0.02 0.00 0.00 175.26 174.71 2pni s ARG 66 N -3.86 0.86 0.00 1.61 1.70 -1.26 -0.15 118.95 117.85 2pni s ARG 66 Ca 0.28 -0.56 0.00 0.00 -0.47 0.00 0.00 55.73 54.97 2pni s ARG 66 Cb 0.06 0.37 0.00 0.00 -0.57 0.00 0.00 34.95 34.81 2pni s ARG 66 CO 0.08 -0.29 0.00 0.41 -1.08 0.00 0.00 175.30 174.42 2pni n GLY 67 N 0.40 -0.63 3.71 3.88 0.00 -0.99 -4.78 105.19 106.78 2pni n GLY 67 Ca -0.18 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 2pni n GLY 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pni s ASP 68 N -4.00 5.14 -0.20 1.61 -1.08 -1.08 -2.50 116.67 114.56 2pni s ASP 68 Ca 0.00 -0.16 -0.18 0.00 -0.52 0.00 0.00 52.55 51.69 2pni s ASP 68 Cb 0.00 -1.26 0.05 0.00 -1.46 0.00 0.00 42.92 40.25 2pni s ASP 68 CO 0.00 0.16 0.54 0.72 0.52 0.00 0.00 175.17 177.11 2pni s PHE 69 N -1.40 -0.60 0.95 -5.34 -0.71 -0.41 -4.20 117.98 106.27 2pni s PHE 69 Ca 0.27 1.45 -0.10 0.00 -1.04 0.00 0.00 56.93 57.51 2pni s PHE 69 Cb -0.11 0.21 0.17 0.00 -1.21 0.00 0.00 43.02 42.08 2pni s PHE 69 CO 0.19 -0.29 1.13 -0.35 -1.34 0.00 0.00 175.22 174.56 2pni n PRO 70 N 2.87 -0.73 -0.59 1.99 -0.04 -1.26 -1.08 135.00 136.15 2pni n PRO 70 Ca -0.14 -0.15 -0.00 0.00 -0.04 0.00 0.00 63.50 63.17 2pni n PRO 70 Cb 0.56 -2.35 0.22 0.00 -0.04 0.00 0.00 33.50 31.89 2pni n PRO 70 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2pni n GLY 71 N 0.37 2.66 0.18 0.55 0.00 -0.23 -4.33 105.19 104.39 2pni n GLY 71 Ca 0.11 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 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 0.18 1.41 -1.10 2.61 -2.24 -1.26 -3.80 114.28 110.08 2pni n THR 72 Ca 0.21 -0.41 -0.25 0.00 -2.27 0.00 0.00 64.05 61.34 2pni n THR 72 Cb 0.92 -1.72 0.05 0.00 -2.10 0.00 0.00 70.33 67.48 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 -3.91 2.27 -3.79 4.78 4.01 -1.26 -4.85 117.16 114.40 2pni n TYR 73 Ca -0.49 -2.42 -0.12 0.00 -0.16 0.00 0.00 57.90 54.71 2pni n TYR 73 Cb 0.89 -1.18 -0.08 0.00 -0.31 0.00 0.00 39.34 38.65 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 -3.38 0.08 -0.19 -0.72 -7.23 -1.26 -1.14 120.40 106.56 2pni s VAL 74 Ca 0.46 -0.64 -0.02 0.00 -1.81 0.00 0.00 61.98 59.98 2pni s VAL 74 Cb 0.36 -0.72 0.05 0.00 0.56 0.00 0.00 36.38 36.63 2pni s VAL 74 CO -0.02 -0.35 -0.00 -0.70 -0.31 0.00 0.00 175.10 173.72 2pni s GLU 75 N -1.86 0.98 -0.04 4.82 2.12 -0.35 -4.74 118.70 119.63 2pni s GLU 75 Ca -0.10 -0.50 -0.34 0.00 0.36 0.00 0.00 54.97 54.38 2pni s GLU 75 Cb -0.04 -2.09 -0.12 0.00 0.26 0.00 0.00 34.13 32.14 2pni s GLU 75 CO 0.01 -0.57 1.80 0.98 -0.54 0.00 0.00 175.26 176.94 2pni n TYR 76 N 4.95 2.29 -0.12 5.30 9.36 -1.26 -1.21 117.16 136.48 2pni n TYR 76 Ca -0.10 0.09 -0.25 0.00 3.32 0.00 0.00 57.90 60.95 2pni n TYR 76 Cb 0.47 -2.62 -0.11 0.00 -0.63 0.00 0.00 39.34 36.45 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 4.69 1.54 -3.40 2.97 -5.35 -1.06 -4.89 119.36 113.85 2pni n ILE 77 Ca 0.21 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.49 2pni n ILE 77 Cb 0.29 -1.95 0.00 0.00 -1.74 0.00 0.00 39.64 36.23 2pni n ILE 77 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pni n GLY 78 N 1.38 -1.18 3.30 3.28 0.00 -1.25 -5.06 105.19 105.65 2pni n GLY 78 Ca -0.42 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 2pni n GLY 78 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2pni s ARG 79 N -0.80 2.01 -0.37 1.61 3.03 -1.26 -2.39 118.95 120.78 2pni s ARG 79 Ca 0.00 -0.91 0.06 0.00 2.03 0.00 0.00 55.73 56.91 2pni s ARG 79 Cb 0.00 -1.96 0.46 0.00 -1.03 0.00 0.00 34.95 32.42 2pni s ARG 79 CO 0.00 0.54 1.42 1.63 -1.13 0.00 0.00 175.30 177.76 2pni n LYS 80 N 2.42 3.01 0.00 3.89 5.02 -1.23 -4.73 118.16 126.55 2pni n LYS 80 Ca -0.16 -3.77 0.00 0.00 -2.02 0.00 0.00 58.31 52.36 2pni n LYS 80 Cb 0.51 -2.17 0.00 0.00 -0.02 0.00 0.00 35.03 33.35 2pni n LYS 80 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2pni n LYS 81 N -0.85 0.00 -2.93 1.97 3.00 -1.26 -4.94 118.16 113.16 2pni n LYS 81 Ca 0.45 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 58.33 2pni n LYS 81 Cb 0.90 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.89 2pni n LYS 81 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 2pni s ILE 82 N -0.80 4.47 0.29 3.15 1.10 -1.26 -4.63 121.20 123.52 2pni s ILE 82 Ca 0.00 -0.44 0.00 0.00 -0.51 0.00 0.00 60.65 59.70 2pni s ILE 82 Cb 0.00 -4.60 0.00 0.00 0.15 0.00 0.00 42.46 38.01 2pni s ILE 82 CO 0.00 -1.31 0.00 -1.54 -2.11 0.00 0.00 174.94 169.98 2pni n SER 83 N 7.30 -1.68 0.00 4.50 3.41 -1.26 -4.97 113.62 120.92 2pni n SER 83 Ca -0.05 0.52 0.02 0.00 -0.26 0.00 0.00 58.87 59.10 2pni n SER 83 Cb 0.45 1.71 0.09 0.00 -0.26 0.00 0.00 64.21 66.20 2pni n SER 83 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07