#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 0.00 -3.23 1.61 3.41 -1.26 -5.07 113.62 109.08 2pni n SER 1 Ca 0.00 -0.28 -0.08 0.00 -0.26 0.00 0.00 58.87 58.25 2pni n SER 1 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 2pni n SER 1 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pni s MET 1 N 0.00 0.78 1.15 4.33 0.00 -1.26 -5.13 119.30 119.17 2pni s MET 1 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 55.69 54.99 2pni s MET 1 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 34.83 34.50 2pni s MET 1 CO 0.00 -1.22 0.00 0.45 0.00 0.00 0.00 175.02 174.25 2pni n SER 2 N 4.10 -7.25 -4.58 -1.18 2.88 -1.26 -4.50 113.62 101.83 2pni n SER 2 Ca 0.13 0.79 -0.42 0.00 -1.33 0.00 0.00 58.87 58.04 2pni n SER 2 Cb 0.52 -2.21 -0.03 0.00 -0.75 0.00 0.00 64.21 61.74 2pni n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2pni s ALA 3 N -2.10 2.81 -1.13 -1.46 0.00 -1.26 -4.63 121.76 113.99 2pni s ALA 3 Ca 0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 51.96 51.46 2pni s ALA 3 Cb 0.00 -4.07 0.27 0.00 0.00 0.00 0.00 23.12 19.32 2pni s ALA 3 CO 0.00 -2.86 1.17 -1.91 0.00 0.00 0.00 175.76 172.16 2pni n GLU 4 N 8.53 3.59 -4.03 0.00 2.13 -1.26 -4.97 120.64 124.64 2pni n GLU 4 Ca 0.16 -4.41 -0.09 0.00 0.66 0.00 0.00 57.16 53.47 2pni n GLU 4 Cb 0.49 -2.59 -0.06 0.00 0.27 0.00 0.00 31.44 29.55 2pni n GLU 4 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2pni s GLY 5 N 1.24 0.66 0.18 8.31 0.00 -1.26 -4.32 107.32 112.13 2pni s GLY 5 Ca 0.32 -0.99 -0.14 0.00 0.00 0.00 0.00 44.72 43.91 2pni s GLY 5 CO -0.06 -0.73 0.58 -0.19 0.00 0.00 0.00 173.10 172.70 2pni s TYR 6 N -4.03 3.57 0.09 1.90 2.02 -1.19 -4.24 117.35 115.47 2pni s TYR 6 Ca 0.25 1.08 0.03 0.00 -0.37 0.00 0.00 57.07 58.05 2pni s TYR 6 Cb 0.00 -2.39 -0.04 0.00 -0.40 0.00 0.00 41.96 39.14 2pni s TYR 6 CO 0.09 0.37 -0.09 -0.65 -1.57 0.00 0.00 175.55 173.71 2pni s GLN 7 N -2.16 0.82 -0.03 -0.62 -0.21 -0.76 -1.16 119.66 115.53 2pni s GLN 7 Ca 0.41 -1.16 -0.01 0.00 0.02 0.00 0.00 55.36 54.61 2pni s GLN 7 Cb -0.14 -0.45 0.03 0.00 1.00 0.00 0.00 33.01 33.45 2pni s GLN 7 CO 0.20 0.06 0.06 0.71 -2.12 0.00 0.00 175.29 174.19 2pni s TYR 8 N -2.60 0.02 -0.16 0.91 1.51 -0.93 -2.48 117.35 113.62 2pni s TYR 8 Ca 0.06 0.23 -0.19 0.00 -1.01 0.00 0.00 57.07 56.15 2pni s TYR 8 Cb -0.02 -0.32 -0.03 0.00 -0.11 0.00 0.00 41.96 41.48 2pni s TYR 8 CO -0.01 -0.14 0.54 0.50 -1.11 0.00 0.00 175.55 175.33 2pni s ARG 9 N 1.56 4.26 0.06 -0.62 3.52 -0.28 -1.57 118.95 125.88 2pni s ARG 9 Ca -0.03 0.50 -0.34 0.00 -0.13 0.00 0.00 55.73 55.72 2pni s ARG 9 Cb -0.12 -3.52 -0.13 0.00 -1.56 0.00 0.00 34.95 29.62 2pni s ARG 9 CO -0.03 -0.05 1.68 0.00 -0.81 0.00 0.00 175.30 176.08 2pni n ALA 10 N 4.41 1.04 0.03 6.12 0.00 -0.76 -0.79 120.51 130.56 2pni n ALA 10 Ca -0.05 0.39 -0.16 0.00 0.00 0.00 0.00 53.44 53.62 2pni n ALA 10 Cb 0.51 -2.39 -0.14 0.00 0.00 0.00 0.00 19.45 17.43 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 7.06 0.32 -7.88 0.00 5.85 -1.36 -3.36 115.31 115.95 2pni h LEU 11 Ca -0.46 -0.55 -0.19 0.00 0.84 0.00 0.00 57.88 57.52 2pni h LEU 11 Cb 1.27 -0.10 -0.24 0.00 0.37 0.00 0.00 40.66 41.96 2pni h LEU 11 CO 0.91 1.47 -0.70 -0.47 -0.34 0.00 0.00 178.44 179.31 2pni s TYR 12 N -2.60 0.15 -0.02 1.25 5.04 -1.08 -4.95 117.35 115.15 2pni s TYR 12 Ca -0.12 -0.31 -0.30 0.00 -2.44 0.00 0.00 57.07 53.90 2pni s TYR 12 Cb 0.07 -0.11 -0.07 0.00 0.35 0.00 0.00 41.96 42.20 2pni s TYR 12 CO 0.82 -0.12 1.70 0.34 -1.34 0.00 0.00 175.55 176.95 2pni s ASP 13 N -0.90 6.63 -0.06 4.32 2.15 -1.26 -4.53 116.67 123.02 2pni s ASP 13 Ca -0.10 2.35 0.04 0.00 0.43 0.00 0.00 52.55 55.26 2pni s ASP 13 Cb -0.06 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 2pni s ASP 13 CO -0.01 -0.94 -0.17 -0.47 -0.17 0.00 0.00 175.17 173.42 2pni s TYR 14 N 3.85 1.79 0.37 -5.34 5.04 -0.70 -4.95 117.35 117.41 2pni s TYR 14 Ca 0.76 -0.61 -0.05 0.00 -2.44 0.00 0.00 57.07 54.73 2pni s TYR 14 Cb -0.36 -1.23 -0.05 0.00 0.35 0.00 0.00 41.96 40.67 2pni s TYR 14 CO 0.32 -0.25 0.66 0.21 -1.34 0.00 0.00 175.55 175.14 2pni s LYS 15 N 0.31 3.61 0.03 4.97 2.20 -1.26 -0.81 119.74 128.79 2pni s LYS 15 Ca -0.10 0.08 -0.20 0.00 -0.36 0.00 0.00 55.97 55.39 2pni s LYS 15 Cb -0.14 -2.53 -0.06 0.00 -1.51 0.00 0.00 37.83 33.59 2pni s LYS 15 CO 0.04 0.04 0.59 -1.59 -0.36 0.00 0.00 175.35 174.07 2pni s LYS 16 N -4.08 4.27 0.00 4.03 -2.85 -1.26 -4.89 119.74 114.97 2pni s LYS 16 Ca 0.45 0.74 0.00 0.00 -1.00 0.00 0.00 55.97 56.17 2pni s LYS 16 Cb -0.10 -3.29 0.00 0.00 -2.06 0.00 0.00 37.83 32.37 2pni s LYS 16 CO 0.35 0.50 0.38 -1.91 0.10 0.00 0.00 175.35 174.77 2pni n GLU 17 N 2.24 1.01 -5.15 1.78 2.13 -1.26 -5.01 120.64 116.38 2pni n GLU 17 Ca -0.08 -0.38 -0.31 0.00 0.66 0.00 0.00 57.16 57.05 2pni n GLU 17 Cb 0.51 -0.88 -0.15 0.00 0.27 0.00 0.00 31.44 31.19 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 -0.26 1.99 0.46 5.31 3.00 -1.26 -5.00 118.95 123.18 2pni s ARG 18 Ca 0.00 -1.00 0.31 0.00 -1.00 0.00 0.00 55.73 54.04 2pni s ARG 18 Cb 0.00 -2.01 1.58 0.00 0.00 0.00 0.00 34.95 34.51 2pni s ARG 18 CO 0.00 0.54 1.95 0.93 0.00 0.00 0.00 175.30 178.72 2pni h GLU 19 N 5.22 0.00 0.02 5.12 5.08 -2.03 -1.57 114.58 126.42 2pni h GLU 19 Ca -0.44 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.64 2pni h GLU 19 Cb 1.13 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 2pni h GLU 19 CO 0.46 0.00 -1.50 0.93 -1.00 0.00 0.00 179.01 177.90 2pni h GLU 20 N 0.00 0.05 -6.57 2.33 3.07 -1.97 -3.46 114.58 108.03 2pni h GLU 20 Ca 0.00 -0.08 -0.52 0.00 -0.50 0.00 0.00 59.36 58.26 2pni h GLU 20 Cb 0.15 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.06 2pni h GLU 20 CO 0.00 0.75 0.11 -0.51 -1.40 0.00 0.00 179.01 177.96 2pni s ASP 21 N -6.43 7.06 0.45 1.42 1.11 -0.59 -3.60 116.67 116.08 2pni s ASP 21 Ca -0.04 1.42 0.08 0.00 0.18 0.00 0.00 52.55 54.18 2pni s ASP 21 Cb 0.08 -2.42 0.00 0.00 1.07 0.00 0.00 42.92 41.66 2pni s ASP 21 CO 0.82 0.03 0.47 0.27 1.18 0.00 0.00 175.17 177.95 2pni s ILE 22 N -1.53 2.59 0.52 0.77 -4.36 -1.26 -4.64 121.20 113.30 2pni s ILE 22 Ca 0.43 -1.23 -0.20 0.00 -0.26 0.00 0.00 60.65 59.39 2pni s ILE 22 Cb -0.17 -2.82 -0.06 0.00 1.25 0.00 0.00 42.46 40.66 2pni s ILE 22 CO 0.21 0.00 1.13 -1.81 0.24 0.00 0.00 174.94 174.71 2pni s ASP 23 N -4.26 5.86 0.01 4.36 1.01 -1.26 -4.37 116.67 118.01 2pni s ASP 23 Ca 0.50 2.18 0.02 0.00 0.71 0.00 0.00 52.55 55.96 2pni s ASP 23 Cb -0.05 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.29 2pni s ASP 23 CO 0.30 -1.12 -0.07 -0.76 0.21 0.00 0.00 175.17 173.73 2pni s LEU 24 N -3.63 2.07 0.23 1.23 1.43 0.01 -4.99 118.68 115.03 2pni s LEU 24 Ca 0.71 -0.21 -0.07 0.00 -1.03 0.00 0.00 54.13 53.52 2pni s LEU 24 Cb -0.24 -0.31 -0.02 0.00 0.03 0.00 0.00 46.19 45.65 2pni s LEU 24 CO 0.28 0.02 0.31 -1.38 0.23 0.00 0.00 176.35 175.81 2pni s HIS 25 N -0.41 0.75 0.61 0.29 -3.43 -1.26 -1.72 115.29 110.12 2pni s HIS 25 Ca 0.00 -1.04 -0.16 0.00 -0.80 0.00 0.00 55.06 53.05 2pni s HIS 25 Cb -0.04 -0.17 -0.03 0.00 -1.43 0.00 0.00 32.58 30.91 2pni s HIS 25 CO -0.00 -0.83 1.10 -0.51 -2.00 0.00 0.00 174.74 172.51 2pni s LEU 26 N -3.09 3.52 0.00 5.38 1.43 -1.26 -3.05 118.68 121.61 2pni s LEU 26 Ca 0.30 2.00 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 2pni s LEU 26 Cb 0.03 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.69 2pni s LEU 26 CO 0.11 -1.40 0.00 0.61 0.23 0.00 0.00 176.35 175.90 2pni n GLY 27 N -0.43 0.82 3.60 -3.19 0.00 -1.26 -4.91 105.19 99.81 2pni n GLY 27 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.57 5.90 0.26 1.61 2.15 -1.17 -4.85 116.67 118.00 2pni s ASP 28 Ca 0.00 1.17 -0.12 0.00 0.43 0.00 0.00 52.55 54.04 2pni s ASP 28 Cb 0.00 -2.53 -0.08 0.00 -0.30 0.00 0.00 42.92 40.01 2pni s ASP 28 CO 0.00 -1.73 0.62 -0.51 -0.17 0.00 0.00 175.17 173.38 2pni s ILE 29 N 6.88 4.84 0.13 4.11 -1.16 -1.26 -1.83 121.20 132.91 2pni s ILE 29 Ca 0.77 0.65 0.05 0.00 -0.51 0.00 0.00 60.65 61.60 2pni s ILE 29 Cb -0.21 -3.62 -0.04 0.00 0.61 0.00 0.00 42.46 39.21 2pni s ILE 29 CO 0.33 -0.11 -0.12 -0.76 -2.81 0.00 0.00 174.94 171.47 2pni s LEU 30 N -2.86 2.46 0.00 8.50 1.02 -0.61 -4.32 118.68 122.88 2pni s LEU 30 Ca 0.50 -0.90 0.01 0.00 0.02 0.00 0.00 54.13 53.76 2pni s LEU 30 Cb -0.11 -0.44 -0.01 0.00 0.02 0.00 0.00 46.19 45.65 2pni s LEU 30 CO 0.20 -0.24 -0.05 -0.89 0.02 0.00 0.00 176.35 175.40 2pni s THR 31 N -2.70 0.34 0.00 5.49 2.01 -0.82 -2.18 115.64 117.79 2pni s THR 31 Ca 0.12 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 61.82 2pni s THR 31 Cb -0.01 -0.32 0.00 0.00 0.01 0.00 0.00 72.50 72.18 2pni s THR 31 CO 0.02 0.02 0.00 0.52 -0.69 0.00 0.00 174.62 174.49 2pni n VAL 32 N 2.76 0.00 -2.49 3.82 0.31 -0.31 -1.19 118.33 121.22 2pni n VAL 32 Ca -0.14 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 63.95 2pni n VAL 32 Cb 0.58 0.00 0.10 0.00 -0.91 0.00 0.00 33.84 33.61 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 0.64 4.41 -0.19 4.52 0.02 -1.26 -4.50 114.94 118.58 2pni s ASN 33 Ca 0.00 -0.16 0.18 0.00 -1.02 0.00 0.00 52.86 51.85 2pni s ASN 33 Cb 0.00 -0.28 -0.24 0.00 0.02 0.00 0.00 41.25 40.74 2pni s ASN 33 CO 0.00 -1.82 0.08 0.29 0.02 0.00 0.00 177.10 175.67 2pni n LYS 34 N -2.87 0.79 -2.67 -0.60 5.02 -1.26 -3.15 118.16 113.43 2pni n LYS 34 Ca 0.13 -0.02 -0.05 0.00 -2.02 0.00 0.00 58.31 56.36 2pni n LYS 34 Cb 0.60 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 34.15 2pni n LYS 34 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pni n GLY 35 N 1.77 0.08 2.46 0.72 0.00 -1.26 -4.27 105.19 104.69 2pni n GLY 35 Ca -0.31 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.55 -1.05 -0.09 1.61 2.88 -1.26 -4.94 113.62 110.22 2pni n SER 36 Ca -0.18 -3.18 0.24 0.00 -1.33 0.00 0.00 58.87 54.41 2pni n SER 36 Cb 0.73 0.62 0.69 0.00 -0.75 0.00 0.00 64.21 65.50 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 3.49 0.03 0.00 2.46 3.38 -1.95 -1.54 115.31 121.18 2pni h LEU 37 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2pni h LEU 37 Cb 1.00 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2pni h LEU 37 CO 0.35 0.01 0.00 0.52 0.09 0.00 0.00 178.44 179.42 2pni n VAL 38 N -4.34 1.68 -0.48 1.22 0.31 -1.26 -2.79 118.33 112.68 2pni n VAL 38 Ca 0.14 0.42 0.38 0.00 -0.01 0.00 0.00 64.34 65.27 2pni n VAL 38 Cb 0.76 -1.39 0.62 0.00 -0.91 0.00 0.00 33.84 32.92 2pni n VAL 38 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pni n ALA 39 N -1.44 1.33 0.08 3.52 0.00 -0.58 -0.52 120.51 122.89 2pni n ALA 39 Ca 0.00 0.68 0.02 0.00 0.00 0.00 0.00 53.44 54.15 2pni n ALA 39 Cb 0.02 -0.93 -0.04 0.00 0.00 0.00 0.00 19.45 18.50 2pni n ALA 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2pni n LEU 40 N -4.14 0.08 0.00 0.00 4.77 -1.12 -5.00 117.00 111.60 2pni n LEU 40 Ca 0.36 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2pni n LEU 40 Cb 1.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.57 2pni n LEU 40 CO 0.23 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 2pni n GLY 41 N 1.84 1.00 3.82 -0.72 0.00 0.32 -5.10 105.19 106.34 2pni n GLY 41 Ca -0.00 -0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 3.03 -0.12 1.61 0.40 -1.24 -4.94 117.98 114.72 2pni s PHE 42 Ca 0.00 1.34 0.16 0.00 -0.60 0.00 0.00 56.93 57.82 2pni s PHE 42 Cb 0.00 -2.95 0.32 0.00 0.51 0.00 0.00 43.02 40.90 2pni s PHE 42 CO 0.00 -1.40 1.18 0.45 0.70 0.00 0.00 175.22 176.15 2pni n SER 43 N -3.22 0.10 0.00 1.36 2.88 -1.26 -4.18 113.62 109.29 2pni n SER 43 Ca 0.07 -2.04 0.00 0.00 -1.33 0.00 0.00 58.87 55.57 2pni n SER 43 Cb 0.54 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 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 -0.25 0.19 -1.02 -3.46 2.03 -1.26 -5.09 116.55 107.68 2pni n ASP 44 Ca -0.08 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.17 2pni n ASP 44 Cb 0.90 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 41.23 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 5.00 0.53 0.00 0.27 0.00 -1.26 -5.02 105.19 104.71 2pni n GLY 45 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 0.03 0.00 -3.58 1.61 6.02 -1.26 -4.99 117.38 115.20 2pni n GLN 46 Ca -0.26 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.48 2pni n GLN 46 Cb 0.72 -0.22 0.06 0.00 1.02 0.00 0.00 30.24 31.82 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 -1.10 -6.94 0.00 -1.09 4.07 -1.26 -4.75 120.64 109.57 2pni n GLU 47 Ca 0.00 0.78 0.00 0.00 -0.06 0.00 0.00 57.16 57.88 2pni n GLU 47 Cb 0.00 -5.77 0.00 0.00 -0.06 0.00 0.00 31.44 25.61 2pni n GLU 47 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2pni n ALA 48 N -4.71 0.00 -3.90 4.31 0.00 -1.26 -4.86 120.51 110.08 2pni n ALA 48 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 2pni n ALA 48 Cb 0.56 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.89 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 0.00 2.39 0.57 0.00 1.02 -1.26 -4.74 119.74 117.72 2pni s LYS 49 Ca 0.00 -3.24 0.27 0.00 0.02 0.00 0.00 55.97 53.02 2pni s LYS 49 Cb 0.00 -3.39 1.59 0.00 -0.52 0.00 0.00 37.83 35.51 2pni s LYS 49 CO 0.00 -1.26 2.09 -1.35 -0.92 0.00 0.00 175.35 173.91 2pni h PRO 50 N 5.54 0.00 -0.75 -1.68 0.11 -1.90 -3.01 132.00 130.32 2pni h PRO 50 Ca 0.12 0.00 0.17 0.00 0.11 0.00 0.00 66.00 66.40 2pni h PRO 50 Cb 0.77 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 31.76 2pni h PRO 50 CO 0.71 0.00 0.06 0.93 -0.21 0.00 0.00 178.00 179.49 2pni h GLU 51 N 0.00 0.14 0.08 1.05 4.39 -1.92 -2.76 114.58 115.56 2pni h GLU 51 Ca 0.10 -0.01 -0.35 0.00 0.34 0.00 0.00 59.36 59.44 2pni h GLU 51 Cb 0.50 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 2pni h GLU 51 CO -0.00 0.09 -1.99 -0.85 -1.16 0.00 0.00 179.01 175.10 2pni n GLU 52 N -5.29 0.71 -1.79 2.33 0.28 -1.14 -4.88 120.64 110.86 2pni n GLU 52 Ca 0.14 0.25 -0.40 0.00 -0.16 0.00 0.00 57.16 56.99 2pni n GLU 52 Cb 0.48 -1.70 0.02 0.00 1.43 0.00 0.00 31.44 31.66 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 -2.56 2.05 0.00 3.84 1.01 -1.04 -4.97 121.20 119.53 2pni s ILE 53 Ca -0.19 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.51 2pni s ILE 53 Cb 0.07 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.51 2pni s ILE 53 CO 0.77 0.01 0.00 0.61 0.00 0.00 0.00 174.94 176.33 2pni n GLY 54 N 0.59 0.67 3.34 6.18 0.00 -1.26 -4.13 105.19 110.59 2pni n GLY 54 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.05 2.77 0.02 1.61 0.52 -1.26 -0.75 118.94 121.80 2pni s TRP 55 Ca 0.00 -0.72 0.04 0.00 0.02 0.00 0.00 56.10 55.45 2pni s TRP 55 Cb 0.00 -1.82 -0.02 0.00 -1.15 0.00 0.00 33.47 30.48 2pni s TRP 55 CO 0.00 -0.25 -0.13 -0.48 0.02 0.00 0.00 176.95 176.10 2pni s LEU 56 N 0.36 2.12 0.15 2.99 2.34 -0.99 -4.98 118.68 120.67 2pni s LEU 56 Ca -0.12 -0.37 -0.14 0.00 0.06 0.00 0.00 54.13 53.55 2pni s LEU 56 Cb -0.16 -0.62 -0.07 0.00 -0.56 0.00 0.00 46.19 44.78 2pni s LEU 56 CO 0.06 0.08 0.56 0.21 -1.06 0.00 0.00 176.35 176.20 2pni s ASN 57 N -0.83 6.83 0.14 1.48 3.04 -1.26 -2.42 114.94 121.92 2pni s ASN 57 Ca 0.03 1.09 -0.20 0.00 0.04 0.00 0.00 52.86 53.82 2pni s ASN 57 Cb -0.07 -2.29 0.05 0.00 -1.54 0.00 0.00 41.25 37.40 2pni s ASN 57 CO 0.01 0.09 0.51 -0.83 -3.04 0.00 0.00 177.10 173.83 2pni s GLY 58 N -1.73 -0.45 -0.17 1.21 0.00 -0.75 -4.68 107.32 100.75 2pni s GLY 58 Ca 0.38 0.23 -0.02 0.00 0.00 0.00 0.00 44.72 45.32 2pni s GLY 58 CO 0.19 -0.06 -0.10 -0.47 0.00 0.00 0.00 173.10 172.66 2pni s TYR 59 N -3.78 2.87 -0.86 1.90 5.04 -0.34 -2.13 117.35 120.06 2pni s TYR 59 Ca 0.02 -0.83 -0.12 0.00 -2.44 0.00 0.00 57.07 53.70 2pni s TYR 59 Cb 0.00 -1.95 0.22 0.00 0.35 0.00 0.00 41.96 40.58 2pni s TYR 59 CO -0.12 -0.39 0.79 1.21 -1.34 0.00 0.00 175.55 175.70 2pni s ASN 60 N 0.85 6.66 0.39 4.32 2.47 0.34 -1.94 114.94 128.04 2pni s ASN 60 Ca -0.03 -2.90 0.19 0.00 0.42 0.00 0.00 52.86 50.54 2pni s ASN 60 Cb -0.15 -2.16 1.12 0.00 -1.45 0.00 0.00 41.25 38.62 2pni s ASN 60 CO 0.00 -0.49 1.74 -0.33 -3.72 0.00 0.00 177.10 174.31 2pni h GLU 61 N 7.44 0.36 -0.71 0.43 5.08 -1.77 -1.59 114.58 123.82 2pni h GLU 61 Ca 0.11 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2pni h GLU 61 Cb 0.99 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 2pni h GLU 61 CO 0.79 0.24 0.40 1.79 -1.00 0.00 0.00 179.01 181.23 2pni h THR 62 N 0.37 1.21 -0.05 1.13 1.35 -1.91 -0.80 112.91 114.21 2pni h THR 62 Ca 0.64 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.99 2pni h THR 62 Cb 1.62 0.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 2pni h THR 62 CO -0.34 0.23 0.00 0.35 -0.25 0.00 0.00 175.52 175.50 2pni n THR 63 N -4.51 0.04 -1.69 6.82 -2.24 -0.72 -4.90 114.28 107.08 2pni n THR 63 Ca 0.06 -0.29 -0.14 0.00 -2.27 0.00 0.00 64.05 61.41 2pni n THR 63 Cb 0.08 0.55 -0.04 0.00 -2.10 0.00 0.00 70.33 68.81 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 1.18 0.78 3.40 3.38 0.00 -0.31 -4.95 105.19 108.69 2pni n GLY 64 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.70 1.47 0.03 1.61 2.02 -0.92 -4.95 118.70 114.26 2pni s GLU 65 Ca 0.00 -1.53 0.01 0.00 0.02 0.00 0.00 54.97 53.47 2pni s GLU 65 Cb 0.00 -1.65 -0.02 0.00 0.10 0.00 0.00 34.13 32.55 2pni s GLU 65 CO 0.00 0.34 -0.06 -0.98 0.02 0.00 0.00 175.26 174.58 2pni s ARG 66 N -2.88 0.45 0.00 1.61 3.03 -1.26 -0.50 118.95 119.39 2pni s ARG 66 Ca 0.21 -0.72 0.00 0.00 2.03 0.00 0.00 55.73 57.24 2pni s ARG 66 Cb -0.07 -0.11 0.00 0.00 -1.03 0.00 0.00 34.95 33.75 2pni s ARG 66 CO 0.10 0.00 0.00 0.41 -1.13 0.00 0.00 175.30 174.68 2pni n GLY 67 N 1.44 -0.54 3.43 3.88 0.00 -0.91 -4.85 105.19 107.63 2pni n GLY 67 Ca -0.23 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 44.71 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 3.64 0.02 1.61 -1.08 -1.24 -1.81 116.67 113.81 2pni s ASP 68 Ca 0.00 -0.45 -0.08 0.00 -0.52 0.00 0.00 52.55 51.50 2pni s ASP 68 Cb 0.00 -0.54 0.00 0.00 -1.46 0.00 0.00 42.92 40.92 2pni s ASP 68 CO 0.00 0.27 0.15 0.72 0.52 0.00 0.00 175.17 176.83 2pni s PHE 69 N -0.87 0.06 0.98 -5.34 -0.71 -1.02 -4.19 117.98 106.89 2pni s PHE 69 Ca 0.13 -0.20 -0.12 0.00 -1.04 0.00 0.00 56.93 55.71 2pni s PHE 69 Cb -0.10 -0.05 0.18 0.00 -1.21 0.00 0.00 43.02 41.83 2pni s PHE 69 CO 0.04 -0.34 1.08 -1.25 -1.34 0.00 0.00 175.22 173.41 2pni s PRO 70 N -1.84 0.57 -0.92 1.99 0.04 -1.26 -2.34 135.00 131.25 2pni s PRO 70 Ca -0.11 0.91 0.00 0.00 0.04 0.00 0.00 61.00 61.85 2pni s PRO 70 Cb -0.05 -1.72 0.32 0.00 0.04 0.00 0.00 34.50 33.09 2pni s PRO 70 CO -0.00 -2.74 1.59 0.41 0.04 0.00 0.00 177.00 176.30 2pni n GLY 71 N -0.42 5.98 0.00 0.56 0.00 0.07 -4.37 105.19 107.01 2pni n GLY 71 Ca 0.07 -2.64 0.00 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.06 0.00 -0.65 2.61 5.66 -1.26 -3.78 114.28 116.80 2pni n THR 72 Ca 0.42 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.51 2pni n THR 72 Cb 0.30 0.00 0.34 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 -0.25 1.41 -4.50 1.09 4.01 -1.26 -4.96 117.16 112.71 2pni n TYR 73 Ca 0.00 -0.64 -0.25 0.00 -0.16 0.00 0.00 57.90 56.85 2pni n TYR 73 Cb 0.00 -0.26 -0.08 0.00 -0.31 0.00 0.00 39.34 38.69 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 -1.95 0.58 -0.18 -0.72 -7.23 -1.26 -1.07 120.40 108.57 2pni s VAL 74 Ca 0.49 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.61 2pni s VAL 74 Cb 0.32 -2.37 0.09 0.00 0.56 0.00 0.00 36.38 34.98 2pni s VAL 74 CO 0.22 0.00 0.30 -0.70 -0.31 0.00 0.00 175.10 174.61 2pni s GLU 75 N -3.70 0.22 0.37 4.82 2.12 0.03 -4.61 118.70 117.95 2pni s GLU 75 Ca 0.25 0.66 -0.25 0.00 0.36 0.00 0.00 54.97 55.99 2pni s GLU 75 Cb 0.03 -0.27 -0.13 0.00 0.26 0.00 0.00 34.13 34.02 2pni s GLU 75 CO 0.15 -0.41 0.75 0.98 -0.54 0.00 0.00 175.26 176.18 2pni n TYR 76 N 5.35 0.26 0.00 5.30 9.36 -1.26 -1.12 117.16 135.05 2pni n TYR 76 Ca -0.06 0.66 0.00 0.00 3.32 0.00 0.00 57.90 61.82 2pni n TYR 76 Cb 0.50 -2.10 0.00 0.00 -0.63 0.00 0.00 39.34 37.11 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 -0.44 0.00 -3.75 2.97 -5.35 -1.04 -4.81 119.36 106.94 2pni n ILE 77 Ca 0.11 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.46 2pni n ILE 77 Cb 0.36 -1.19 -0.08 0.00 -1.74 0.00 0.00 39.64 36.98 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 -4.89 -0.16 -0.06 3.28 0.00 -1.24 -5.05 107.32 99.20 2pni s GLY 78 Ca 0.00 0.33 0.04 0.00 0.00 0.00 0.00 44.72 45.10 2pni s GLY 78 CO 0.00 0.12 -0.19 1.09 0.00 0.00 0.00 173.10 174.12 2pni s ARG 79 N -1.38 2.19 -0.29 2.90 1.04 -1.26 -1.83 118.95 120.32 2pni s ARG 79 Ca -0.13 -0.68 0.11 0.00 -1.04 0.00 0.00 55.73 53.98 2pni s ARG 79 Cb -0.05 -1.80 0.47 0.00 -2.04 0.00 0.00 34.95 31.53 2pni s ARG 79 CO 0.04 0.21 1.17 1.63 -0.04 0.00 0.00 175.30 178.30 2pni n LYS 80 N 3.34 3.18 0.23 3.89 5.02 -1.26 -4.67 118.16 127.89 2pni n LYS 80 Ca -0.19 -4.03 0.11 0.00 -2.02 0.00 0.00 58.31 52.18 2pni n LYS 80 Cb 0.53 -2.12 0.50 0.00 -0.02 0.00 0.00 35.03 33.91 2pni n LYS 80 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2pni h LYS 81 N 2.29 0.00 -5.32 1.97 1.63 -1.90 -3.41 116.57 111.84 2pni h LYS 81 Ca 0.25 0.00 -0.47 0.00 -0.85 0.00 0.00 60.65 59.58 2pni h LYS 81 Cb 1.46 0.00 -0.28 0.00 -0.60 0.00 0.00 32.23 32.82 2pni h LYS 81 CO 0.63 0.19 -0.81 -1.50 -3.45 0.00 0.00 179.45 174.51 2pni s ILE 82 N -3.68 1.12 0.39 2.00 2.07 -1.26 -4.94 121.20 116.90 2pni s ILE 82 Ca 0.00 -0.75 0.00 0.00 -1.41 0.00 0.00 60.65 58.50 2pni s ILE 82 Cb 0.10 -0.97 0.00 0.00 0.13 0.00 0.00 42.46 41.73 2pni s ILE 82 CO 0.62 0.21 0.00 -1.54 -1.91 0.00 0.00 174.94 172.32 2pni n SER 83 N 2.43 -2.25 0.00 4.50 3.41 -1.26 -5.11 113.62 115.34 2pni n SER 83 Ca -0.16 0.72 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 2pni n SER 83 Cb 0.55 2.20 0.00 0.00 -0.26 0.00 0.00 64.21 66.70 2pni n SER 83 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07