#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 -8.02 -1.03 1.61 3.41 -1.26 -4.79 113.62 103.54 2pni n SER 1 Ca 0.00 1.66 0.09 0.00 -0.26 0.00 0.00 58.87 60.36 2pni n SER 1 Cb 0.00 -4.93 0.24 0.00 -0.26 0.00 0.00 64.21 59.26 2pni n SER 1 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2pni n MET 1 N -3.40 2.73 -4.10 4.33 2.81 -1.26 -5.00 117.12 113.23 2pni n MET 1 Ca -0.04 -2.36 -0.12 0.00 -1.81 0.00 0.00 57.70 53.36 2pni n MET 1 Cb 0.57 -1.44 -0.07 0.00 -0.71 0.00 0.00 33.22 31.58 2pni n MET 1 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2pni s SER 2 N -1.03 0.34 0.97 7.83 1.04 -1.26 -5.17 113.70 116.42 2pni s SER 2 Ca 0.37 -1.26 -0.14 0.00 0.48 0.00 0.00 55.95 55.40 2pni s SER 2 Cb 0.20 0.54 0.17 0.00 0.10 0.00 0.00 66.02 67.02 2pni s SER 2 CO 0.26 -1.08 1.16 0.00 0.98 0.00 0.00 173.24 174.55 2pni s ALA 3 N -3.79 1.61 0.00 5.32 0.00 -1.26 -4.71 121.76 118.93 2pni s ALA 3 Ca 0.31 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.59 2pni s ALA 3 Cb 0.02 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.16 2pni s ALA 3 CO 0.14 -2.54 0.00 0.39 0.00 0.00 0.00 175.76 173.75 2pni n GLU 4 N -3.94 0.00 0.00 0.00 1.02 -0.38 -4.98 120.64 112.36 2pni n GLU 4 Ca 0.09 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 2pni n GLU 4 Cb 0.59 -0.62 0.00 0.00 -0.02 0.00 0.00 31.44 31.39 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 1.78 0.07 3.96 0.62 0.00 -1.25 -4.27 105.19 106.10 2pni n GLY 5 Ca 0.00 -1.67 -0.22 0.00 0.00 0.00 0.00 46.02 44.13 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 3.37 0.05 1.61 2.02 -1.25 -4.17 117.35 118.98 2pni s TYR 6 Ca 0.00 0.07 -0.01 0.00 -0.37 0.00 0.00 57.07 56.76 2pni s TYR 6 Cb 0.00 -1.82 -0.04 0.00 -0.40 0.00 0.00 41.96 39.70 2pni s TYR 6 CO 0.00 0.18 -0.04 -0.65 -1.57 0.00 0.00 175.55 173.47 2pni s GLN 7 N -4.17 0.61 -0.06 -0.62 -0.21 -0.73 -2.19 119.66 112.29 2pni s GLN 7 Ca 0.39 -1.18 -0.03 0.00 0.02 0.00 0.00 55.36 54.57 2pni s GLN 7 Cb -0.09 0.14 0.04 0.00 1.00 0.00 0.00 33.01 34.10 2pni s GLN 7 CO 0.32 -0.09 0.13 0.71 -2.12 0.00 0.00 175.29 174.24 2pni s TYR 8 N -3.66 -0.12 -0.28 0.91 1.51 -0.92 -2.48 117.35 112.30 2pni s TYR 8 Ca 0.06 0.47 -0.21 0.00 -1.01 0.00 0.00 57.07 56.38 2pni s TYR 8 Cb 0.06 -0.21 -0.01 0.00 -0.11 0.00 0.00 41.96 41.69 2pni s TYR 8 CO -0.08 -0.20 0.65 0.50 -1.11 0.00 0.00 175.55 175.30 2pni s ARG 9 N 1.69 3.99 0.65 -0.62 3.52 -0.02 -1.59 118.95 126.58 2pni s ARG 9 Ca -0.03 0.44 -0.17 0.00 -0.13 0.00 0.00 55.73 55.83 2pni s ARG 9 Cb -0.12 -3.70 -0.10 0.00 -1.56 0.00 0.00 34.95 29.48 2pni s ARG 9 CO -0.05 -0.52 0.15 0.00 -0.81 0.00 0.00 175.30 174.07 2pni n ALA 10 N 5.85 -2.45 -0.05 6.12 0.00 -0.67 -0.34 120.51 128.98 2pni n ALA 10 Ca -0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 53.44 53.17 2pni n ALA 10 Cb 0.49 -1.61 -0.04 0.00 0.00 0.00 0.00 19.45 18.29 2pni n ALA 10 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2pni n LEU 11 N 1.27 1.87 -3.92 0.00 7.94 -0.51 -4.53 117.00 119.12 2pni n LEU 11 Ca 0.08 0.03 -0.10 0.00 -1.11 0.00 0.00 56.01 54.91 2pni n LEU 11 Cb 0.49 -0.29 -0.10 0.00 0.53 0.00 0.00 43.42 44.05 2pni n LEU 11 CO 0.52 0.43 -0.23 -0.47 -1.11 0.00 0.00 177.39 176.53 2pni s TYR 12 N -2.17 0.15 -0.15 1.96 5.04 -1.24 -4.96 117.35 115.98 2pni s TYR 12 Ca -0.12 -0.37 -0.29 0.00 -2.44 0.00 0.00 57.07 53.85 2pni s TYR 12 Cb 0.04 -0.12 -0.04 0.00 0.35 0.00 0.00 41.96 42.19 2pni s TYR 12 CO 0.18 -0.30 1.72 0.34 -1.34 0.00 0.00 175.55 176.16 2pni s ASP 13 N -1.71 6.37 -0.05 4.32 -1.08 -1.26 -4.71 116.67 118.55 2pni s ASP 13 Ca -0.11 1.93 0.06 0.00 -0.52 0.00 0.00 52.55 53.90 2pni s ASP 13 Cb -0.05 -2.53 -0.02 0.00 -1.46 0.00 0.00 42.92 38.86 2pni s ASP 13 CO -0.01 -1.22 -0.22 -0.47 0.52 0.00 0.00 175.17 173.77 2pni s TYR 14 N 5.12 2.49 0.03 -5.34 6.14 -0.64 -5.00 117.35 120.15 2pni s TYR 14 Ca 0.77 -0.45 -0.05 0.00 0.64 0.00 0.00 57.07 57.98 2pni s TYR 14 Cb -0.30 -1.58 -0.05 0.00 0.42 0.00 0.00 41.96 40.45 2pni s TYR 14 CO 0.31 -0.03 0.26 0.15 0.64 0.00 0.00 175.55 176.88 2pni s LYS 15 N -0.46 3.54 0.53 4.97 3.01 -1.26 -1.70 119.74 128.36 2pni s LYS 15 Ca 0.05 -0.17 -0.03 0.00 -1.01 0.00 0.00 55.97 54.81 2pni s LYS 15 Cb -0.12 -3.04 0.00 0.00 -1.01 0.00 0.00 37.83 33.66 2pni s LYS 15 CO 0.01 0.62 0.80 -1.59 0.51 0.00 0.00 175.35 175.70 2pni s LYS 16 N -2.03 3.00 0.00 1.68 0.00 -1.26 -4.98 119.74 116.15 2pni s LYS 16 Ca 0.30 -0.20 0.00 0.00 0.00 0.00 0.00 55.97 56.07 2pni s LYS 16 Cb -0.13 -2.39 0.00 0.00 0.00 0.00 0.00 37.83 35.31 2pni s LYS 16 CO 0.19 -0.51 0.00 -1.91 0.00 0.00 0.00 175.35 173.13 2pni n GLU 17 N -2.36 2.77 -4.12 1.78 2.13 -1.26 -5.03 120.64 114.54 2pni n GLU 17 Ca 0.03 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.55 2pni n GLU 17 Cb 0.58 -0.48 -0.08 0.00 0.27 0.00 0.00 31.44 31.72 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 -0.52 2.63 0.15 5.31 6.06 -1.26 -4.99 118.95 126.32 2pni s ARG 18 Ca 0.00 -0.79 0.09 0.00 -2.50 0.00 0.00 55.73 52.52 2pni s ARG 18 Cb 0.00 -2.59 0.48 0.00 0.06 0.00 0.00 34.95 32.91 2pni s ARG 18 CO 0.00 0.55 1.23 -0.85 -2.50 0.00 0.00 175.30 173.73 2pni n GLU 19 N 0.59 0.06 0.12 5.12 0.28 -1.26 -1.47 120.64 124.08 2pni n GLU 19 Ca -0.10 0.52 -0.24 0.00 -0.16 0.00 0.00 57.16 57.18 2pni n GLU 19 Cb 0.52 -1.77 -0.16 0.00 1.43 0.00 0.00 31.44 31.47 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 0.49 -6.74 3.44 5.08 -1.96 -3.47 114.58 111.42 2pni h GLU 20 Ca 0.00 -0.83 -0.50 0.00 -1.00 0.00 0.00 59.36 57.03 2pni h GLU 20 Cb 0.15 0.31 0.01 0.00 0.50 0.00 0.00 28.75 29.72 2pni h GLU 20 CO 0.00 1.40 0.02 -0.51 -1.00 0.00 0.00 179.01 178.92 2pni s ASP 21 N -7.47 6.43 0.37 1.42 1.11 -0.54 -1.40 116.67 116.58 2pni s ASP 21 Ca -0.12 0.92 0.03 0.00 0.18 0.00 0.00 52.55 53.57 2pni s ASP 21 Cb 0.04 -2.23 -0.04 0.00 1.07 0.00 0.00 42.92 41.76 2pni s ASP 21 CO 0.91 -0.37 0.10 0.27 1.18 0.00 0.00 175.17 177.26 2pni s ILE 22 N -2.36 0.83 0.08 0.77 -4.36 -1.25 -4.70 121.20 110.20 2pni s ILE 22 Ca 0.47 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.56 2pni s ILE 22 Cb -0.10 -2.53 -0.06 0.00 1.25 0.00 0.00 42.46 41.02 2pni s ILE 22 CO 0.34 0.00 1.15 -1.81 0.24 0.00 0.00 174.94 174.86 2pni s ASP 23 N -3.55 7.15 -0.11 4.36 1.01 -1.26 -4.17 116.67 120.10 2pni s ASP 23 Ca 0.29 2.00 0.03 0.00 0.71 0.00 0.00 52.55 55.58 2pni s ASP 23 Cb 0.05 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.40 2pni s ASP 23 CO 0.14 -0.39 -0.21 -0.76 0.21 0.00 0.00 175.17 174.17 2pni s LEU 24 N 0.69 2.00 0.00 1.23 1.43 -0.69 -5.03 118.68 118.31 2pni s LEU 24 Ca 0.56 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 2pni s LEU 24 Cb -0.29 -1.32 0.00 0.00 0.03 0.00 0.00 46.19 44.61 2pni s LEU 24 CO 0.31 0.10 0.03 1.41 0.23 0.00 0.00 176.35 178.43 2pni n HIS 25 N 3.85 0.09 -2.47 0.29 8.25 -1.26 -1.62 115.22 122.34 2pni n HIS 25 Ca -0.20 -0.93 -0.31 0.00 -0.26 0.00 0.00 57.72 56.03 2pni n HIS 25 Cb 0.52 -0.14 -0.02 0.00 1.12 0.00 0.00 29.99 31.48 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 3.61 0.00 2.41 1.02 -1.26 -3.71 118.68 120.75 2pni s LEU 26 Ca 0.03 1.30 0.00 0.00 0.02 0.00 0.00 54.13 55.48 2pni s LEU 26 Cb -0.00 -4.24 0.00 0.00 0.02 0.00 0.00 46.19 41.96 2pni s LEU 26 CO 0.02 -0.58 0.00 0.61 0.02 0.00 0.00 176.35 176.41 2pni n GLY 27 N -1.83 0.01 3.58 -3.19 0.00 -1.26 -4.89 105.19 97.61 2pni n GLY 27 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.01 5.45 -0.06 1.61 1.11 -1.24 -4.80 116.67 116.73 2pni s ASP 28 Ca 0.00 1.18 -0.19 0.00 0.18 0.00 0.00 52.55 53.72 2pni s ASP 28 Cb 0.00 -2.52 -0.05 0.00 1.07 0.00 0.00 42.92 41.42 2pni s ASP 28 CO 0.00 -2.08 0.52 -0.63 1.18 0.00 0.00 175.17 174.16 2pni s ILE 29 N 8.45 5.07 0.12 0.77 1.01 -1.26 -1.67 121.20 133.69 2pni s ILE 29 Ca 0.84 1.07 0.05 0.00 0.00 0.00 0.00 60.65 62.61 2pni s ILE 29 Cb -0.21 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 2pni s ILE 29 CO 0.30 0.38 0.02 -0.76 0.00 0.00 0.00 174.94 174.88 2pni s LEU 30 N 0.19 3.50 0.06 2.97 1.02 -0.62 -4.41 118.68 121.38 2pni s LEU 30 Ca 0.28 -0.20 0.05 0.00 0.02 0.00 0.00 54.13 54.29 2pni s LEU 30 Cb -0.16 -2.20 -0.03 0.00 0.02 0.00 0.00 46.19 43.82 2pni s LEU 30 CO 0.13 0.14 -0.15 -0.89 0.02 0.00 0.00 176.35 175.61 2pni s THR 31 N -1.45 1.20 0.00 5.49 2.01 -0.97 -2.17 115.64 119.75 2pni s THR 31 Ca 0.27 -1.16 0.00 0.00 0.31 0.00 0.00 61.69 61.11 2pni s THR 31 Cb -0.11 -1.11 0.00 0.00 0.01 0.00 0.00 72.50 71.29 2pni s THR 31 CO 0.19 -0.06 0.00 0.52 -0.69 0.00 0.00 174.62 174.58 2pni n VAL 32 N 1.62 0.00 -3.75 3.82 0.31 -0.93 -3.14 118.33 116.27 2pni n VAL 32 Ca -0.19 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 63.90 2pni n VAL 32 Cb 0.54 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.45 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 0.96 6.33 0.11 4.52 0.01 -1.26 -4.43 114.94 121.18 2pni s ASN 33 Ca 0.00 0.26 0.13 0.00 -0.71 0.00 0.00 52.86 52.54 2pni s ASN 33 Cb 0.00 -1.95 -0.12 0.00 0.41 0.00 0.00 41.25 39.60 2pni s ASN 33 CO 0.00 -0.11 1.05 0.07 -1.51 0.00 0.00 177.10 176.60 2pni h LYS 34 N 1.37 0.00 0.00 -0.60 2.10 -1.92 -3.33 116.57 114.18 2pni h LYS 34 Ca -0.50 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.01 2pni h LYS 34 Cb 1.21 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.41 2pni h LYS 34 CO 0.64 0.53 -0.28 0.41 -2.00 0.00 0.00 179.45 178.75 2pni n GLY 35 N 1.37 0.93 2.69 0.07 0.00 -1.26 -4.75 105.19 104.24 2pni n GLY 35 Ca -0.06 -0.05 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.46 -0.59 0.21 1.61 7.64 -1.26 -4.92 113.62 115.86 2pni n SER 36 Ca -0.24 -2.52 0.07 0.00 1.01 0.00 0.00 58.87 57.19 2pni n SER 36 Cb 0.74 0.41 0.60 0.00 -1.01 0.00 0.00 64.21 64.95 2pni n SER 36 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 2pni h LEU 37 N 2.32 0.09 0.00 -3.43 8.10 -1.92 -1.41 115.31 119.05 2pni h LEU 37 Ca -0.22 -0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.77 2pni h LEU 37 Cb 1.26 -0.02 0.00 0.00 -0.44 0.00 0.00 40.66 41.45 2pni h LEU 37 CO 0.13 0.07 0.31 0.52 -4.11 0.00 0.00 178.44 175.36 2pni n VAL 38 N -4.53 0.53 -0.29 0.15 0.31 -1.26 -2.95 118.33 110.29 2pni n VAL 38 Ca -0.02 0.44 0.25 0.00 -0.01 0.00 0.00 64.34 65.00 2pni n VAL 38 Cb 0.08 -1.44 0.43 0.00 -0.91 0.00 0.00 33.84 32.00 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 -1.09 0.85 -0.04 3.52 0.00 -0.53 0.76 120.51 123.98 2pni n ALA 39 Ca 0.00 0.56 -0.14 0.00 0.00 0.00 0.00 53.44 53.86 2pni n ALA 39 Cb 0.31 -0.67 -0.14 0.00 0.00 0.00 0.00 19.45 18.95 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 -4.00 1.63 0.00 0.00 4.77 -1.15 -4.97 117.00 113.28 2pni n LEU 40 Ca 0.26 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 2pni n LEU 40 Cb 0.98 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 2pni n LEU 40 CO 0.10 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 2pni n GLY 41 N 1.82 0.87 3.82 -0.72 0.00 0.23 -5.14 105.19 106.06 2pni n GLY 41 Ca -0.28 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.49 2.79 0.00 1.61 0.40 -1.26 -4.99 117.98 115.03 2pni s PHE 42 Ca 0.00 0.99 0.00 0.00 -0.60 0.00 0.00 56.93 57.32 2pni s PHE 42 Cb 0.00 -3.25 0.00 0.00 0.51 0.00 0.00 43.02 40.28 2pni s PHE 42 CO 0.00 -1.92 0.18 0.43 0.70 0.00 0.00 175.22 174.61 2pni n SER 43 N -3.49 0.00 -3.15 1.36 7.64 -1.26 -4.43 113.62 110.29 2pni n SER 43 Ca 0.07 -1.00 0.06 0.00 1.01 0.00 0.00 58.87 59.01 2pni n SER 43 Cb 0.58 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.77 2pni n SER 43 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2pni s ASP 44 N 0.00 -0.21 0.00 6.43 -1.08 -1.26 -5.05 116.67 115.51 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 1.16 0.00 0.00 -1.46 0.00 0.00 42.92 42.62 2pni s ASP 44 CO 0.00 -0.04 0.00 0.61 0.52 0.00 0.00 175.17 176.26 2pni n GLY 45 N 5.35 1.00 3.03 2.66 0.00 -1.26 -5.04 105.19 110.93 2pni n GLY 45 Ca -0.02 0.00 -0.00 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 -1.41 0.14 1.61 6.02 -1.26 -4.48 117.38 118.00 2pni n GLN 46 Ca 0.00 1.47 0.04 0.00 -0.01 0.00 0.00 57.00 58.49 2pni n GLN 46 Cb 0.10 -2.31 0.19 0.00 1.02 0.00 0.00 30.24 29.24 2pni n GLN 46 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2pni n GLU 47 N 1.27 0.05 0.04 -1.09 1.02 -1.26 -0.63 120.64 120.04 2pni n GLU 47 Ca -0.02 0.48 -0.19 0.00 -0.02 0.00 0.00 57.16 57.41 2pni n GLU 47 Cb 0.33 -2.11 -0.14 0.00 -0.02 0.00 0.00 31.44 29.50 2pni n GLU 47 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pni h ALA 48 N 0.76 0.33 -2.39 0.62 0.00 -1.98 -3.43 119.26 113.16 2pni h ALA 48 Ca 0.00 -1.24 -0.74 0.00 0.00 0.00 0.00 54.91 52.93 2pni h ALA 48 Cb 0.88 0.48 -0.25 0.00 0.00 0.00 0.00 17.79 18.90 2pni h ALA 48 CO 0.00 1.19 -0.34 0.15 0.00 0.00 0.00 179.25 180.26 2pni s LYS 49 N -2.59 2.84 0.46 0.00 1.02 0.19 -4.63 119.74 117.03 2pni s LYS 49 Ca -0.15 -1.53 0.31 0.00 0.02 0.00 0.00 55.97 54.62 2pni s LYS 49 Cb 0.06 -4.08 1.34 0.00 -0.52 0.00 0.00 37.83 34.63 2pni s LYS 49 CO 0.83 -1.12 1.92 -1.00 -0.92 0.00 0.00 175.35 175.06 2pni h PRO 50 N 8.68 0.00 -0.29 -1.68 0.13 -1.84 -3.30 132.00 133.70 2pni h PRO 50 Ca -0.27 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.90 2pni h PRO 50 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2pni h PRO 50 CO 0.90 0.00 0.20 1.05 -0.23 0.00 0.00 178.00 179.92 2pni h GLU 51 N 0.00 0.21 0.00 0.86 4.11 -1.92 -1.64 114.58 116.20 2pni h GLU 51 Ca 0.00 -0.01 -0.06 0.00 0.07 0.00 0.00 59.36 59.36 2pni h GLU 51 Cb 0.39 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2pni h GLU 51 CO 0.00 0.14 -1.16 -0.85 0.07 0.00 0.00 179.01 177.21 2pni n GLU 52 N -4.49 0.61 -3.14 1.06 0.28 -1.24 -4.87 120.64 108.85 2pni n GLU 52 Ca 0.03 0.15 -0.34 0.00 -0.16 0.00 0.00 57.16 56.83 2pni n GLU 52 Cb 0.21 -1.81 -0.06 0.00 1.43 0.00 0.00 31.44 31.21 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 -3.22 4.64 0.00 3.84 1.01 -0.62 -5.05 121.20 121.80 2pni s ILE 53 Ca -0.01 1.10 0.00 0.00 0.00 0.00 0.00 60.65 61.74 2pni s ILE 53 Cb 0.09 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.82 2pni s ILE 53 CO 0.80 0.04 0.00 0.61 0.00 0.00 0.00 174.94 176.39 2pni n GLY 54 N 0.26 0.87 3.73 6.18 0.00 -1.26 -4.55 105.19 110.43 2pni n GLY 54 Ca -0.00 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 0.07 3.56 -0.18 1.61 0.52 -1.26 -2.35 118.94 120.91 2pni s TRP 55 Ca 0.00 1.02 -0.05 0.00 0.02 0.00 0.00 56.10 57.10 2pni s TRP 55 Cb 0.00 -2.61 -0.03 0.00 -1.15 0.00 0.00 33.47 29.68 2pni s TRP 55 CO 0.00 0.19 -0.01 -0.51 0.02 0.00 0.00 176.95 176.64 2pni s LEU 56 N 0.49 3.28 -0.24 2.99 1.02 -0.79 -4.96 118.68 120.48 2pni s LEU 56 Ca 0.29 -0.16 -0.10 0.00 0.02 0.00 0.00 54.13 54.18 2pni s LEU 56 Cb -0.16 -1.82 -0.05 0.00 0.02 0.00 0.00 46.19 44.18 2pni s LEU 56 CO 0.13 0.11 0.15 0.21 0.02 0.00 0.00 176.35 176.97 2pni s ASN 57 N 0.74 5.96 0.00 2.29 3.04 -1.26 -1.36 114.94 124.35 2pni s ASN 57 Ca -0.00 0.06 0.00 0.00 0.04 0.00 0.00 52.86 52.95 2pni s ASN 57 Cb -0.14 -2.08 0.00 0.00 -1.54 0.00 0.00 41.25 37.49 2pni s ASN 57 CO 0.02 0.05 0.00 0.61 -3.04 0.00 0.00 177.10 174.74 2pni n GLY 58 N 4.40 2.62 2.99 1.21 0.00 -0.97 -4.89 105.19 110.54 2pni n GLY 58 Ca -0.15 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.79 2pni n GLY 58 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2pni s TYR 59 N -6.14 0.26 -0.40 1.61 1.13 -1.19 -2.50 117.35 110.12 2pni s TYR 59 Ca 0.00 -0.53 -0.02 0.00 -1.41 0.00 0.00 57.07 55.12 2pni s TYR 59 Cb 0.00 -0.19 0.11 0.00 -1.10 0.00 0.00 41.96 40.78 2pni s TYR 59 CO 0.00 -0.20 0.18 -0.80 -2.51 0.00 0.00 175.55 172.23 2pni s ASN 60 N -1.49 5.18 0.60 -0.18 -0.87 -0.33 -2.30 114.94 115.55 2pni s ASN 60 Ca -0.16 -2.06 0.37 0.00 -1.57 0.00 0.00 52.86 49.44 2pni s ASN 60 Cb -0.10 -1.80 1.89 0.00 -0.02 0.00 0.00 41.25 41.23 2pni s ASN 60 CO -0.01 -0.52 2.20 -0.33 -2.57 0.00 0.00 177.10 175.87 2pni h GLU 61 N 7.97 0.00 -1.10 -0.60 5.08 -1.80 -0.34 114.58 123.78 2pni h GLU 61 Ca -0.11 0.00 0.32 0.00 -1.00 0.00 0.00 59.36 58.57 2pni h GLU 61 Cb 1.04 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.17 2pni h GLU 61 CO 0.67 0.03 0.69 1.15 -1.00 0.00 0.00 179.01 180.55 2pni h THR 62 N 0.00 0.36 0.00 1.13 2.02 -1.93 -2.12 112.91 112.37 2pni h THR 62 Ca -0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.07 2pni h THR 62 Cb 0.21 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 2pni h THR 62 CO 0.00 0.06 0.00 1.07 0.37 0.00 0.00 175.52 177.02 2pni n THR 63 N -4.77 0.16 -3.34 3.16 5.66 -1.02 -5.00 114.28 109.14 2pni n THR 63 Ca 0.30 -0.42 -0.24 0.00 -3.05 0.00 0.00 64.05 60.64 2pni n THR 63 Cb 1.04 1.17 0.03 0.00 -1.55 0.00 0.00 70.33 71.02 2pni n THR 63 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2pni n GLY 64 N -0.08 -0.52 3.74 1.09 0.00 -0.19 -4.99 105.19 104.24 2pni n GLY 64 Ca 0.00 0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 2pni n GLY 64 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pni s GLU 65 N -6.03 2.59 0.06 1.61 2.56 -0.90 -4.98 118.70 113.61 2pni s GLU 65 Ca 0.43 -1.27 -0.13 0.00 0.00 0.00 0.00 54.97 54.00 2pni s GLU 65 Cb -0.21 -2.35 0.02 0.00 2.00 0.00 0.00 34.13 33.60 2pni s GLU 65 CO 0.54 0.35 0.30 -0.98 -0.56 0.00 0.00 175.26 174.90 2pni s ARG 66 N -3.78 0.84 0.00 4.30 1.04 -1.26 -1.19 118.95 118.91 2pni s ARG 66 Ca 0.33 -0.58 0.00 0.00 -1.04 0.00 0.00 55.73 54.44 2pni s ARG 66 Cb -0.07 0.36 0.00 0.00 -2.04 0.00 0.00 34.95 33.21 2pni s ARG 66 CO 0.23 -0.28 0.00 0.41 -0.04 0.00 0.00 175.30 175.62 2pni n GLY 67 N 0.41 -0.54 3.66 3.88 0.00 -1.04 -4.84 105.19 106.73 2pni n GLY 67 Ca -0.18 -0.79 -0.27 0.00 0.00 0.00 0.00 46.02 44.78 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 4.78 -0.14 1.61 1.11 -0.49 -2.29 116.67 117.25 2pni s ASP 68 Ca 0.00 -0.37 -0.14 0.00 0.18 0.00 0.00 52.55 52.21 2pni s ASP 68 Cb 0.00 -1.03 0.04 0.00 1.07 0.00 0.00 42.92 43.00 2pni s ASP 68 CO 0.00 0.10 0.41 0.72 1.18 0.00 0.00 175.17 177.58 2pni s PHE 69 N -1.66 -0.43 0.60 4.23 -0.71 -0.46 -3.94 117.98 115.61 2pni s PHE 69 Ca 0.27 1.04 -0.18 0.00 -1.04 0.00 0.00 56.93 57.02 2pni s PHE 69 Cb -0.10 0.15 -0.03 0.00 -1.21 0.00 0.00 43.02 41.84 2pni s PHE 69 CO 0.18 -0.23 1.21 -1.25 -1.34 0.00 0.00 175.22 173.79 2pni s PRO 70 N 0.10 2.92 -0.22 1.99 0.04 -1.26 -1.88 135.00 136.68 2pni s PRO 70 Ca -0.01 1.81 -0.04 0.00 0.04 0.00 0.00 61.00 62.80 2pni s PRO 70 Cb -0.03 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.51 2pni s PRO 70 CO 0.01 -1.25 3.05 0.41 0.04 0.00 0.00 177.00 179.27 2pni n GLY 71 N 0.48 3.63 0.32 0.56 0.00 -0.99 -3.87 105.19 105.32 2pni n GLY 71 Ca 0.14 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 1.59 0.00 -0.47 2.61 5.66 -1.26 -4.15 114.28 118.25 2pni n THR 72 Ca 0.42 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.42 2pni n THR 72 Cb 0.71 0.64 0.00 0.00 -1.55 0.00 0.00 70.33 70.13 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 -3.63 1.09 4.01 -1.25 -5.09 117.16 112.29 2pni n TYR 73 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2pni n TYR 73 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 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 -0.08 0.00 -3.50 -0.72 0.24 -1.26 -1.42 118.33 111.59 2pni n VAL 74 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.18 2pni n VAL 74 Cb 0.12 -0.30 -0.11 0.00 -1.47 0.00 0.00 33.84 32.08 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 -1.75 0.26 0.36 7.34 2.12 0.54 -4.70 118.70 122.86 2pni s GLU 75 Ca 0.00 0.56 -0.25 0.00 0.36 0.00 0.00 54.97 55.64 2pni s GLU 75 Cb 0.00 -0.47 -0.13 0.00 0.26 0.00 0.00 34.13 33.79 2pni s GLU 75 CO 0.00 -0.51 0.79 0.98 -0.54 0.00 0.00 175.26 175.98 2pni n TYR 76 N 5.35 0.42 0.02 5.30 9.36 -1.26 -0.84 117.16 135.52 2pni n TYR 76 Ca -0.05 0.66 0.00 0.00 3.32 0.00 0.00 57.90 61.83 2pni n TYR 76 Cb 0.50 -2.12 0.00 0.00 -0.63 0.00 0.00 39.34 37.09 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 -0.37 0.39 -3.73 2.97 -5.35 -1.04 -4.78 119.36 107.45 2pni n ILE 77 Ca 0.11 0.13 -0.14 0.00 -0.27 0.00 0.00 62.75 62.58 2pni n ILE 77 Cb 0.36 -1.42 -0.09 0.00 -1.74 0.00 0.00 39.64 36.75 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 -4.69 -0.23 -0.11 3.28 0.00 -1.24 -5.05 107.32 99.27 2pni s GLY 78 Ca 0.00 0.67 -0.01 0.00 0.00 0.00 0.00 44.72 45.38 2pni s GLY 78 CO 0.00 0.46 -0.07 1.09 0.00 0.00 0.00 173.10 174.59 2pni s ARG 79 N -0.80 1.42 -0.21 2.90 3.03 -1.26 -1.78 118.95 122.26 2pni s ARG 79 Ca -0.09 -0.24 -0.36 0.00 2.03 0.00 0.00 55.73 57.08 2pni s ARG 79 Cb -0.04 -1.56 0.15 0.00 -1.03 0.00 0.00 34.95 32.47 2pni s ARG 79 CO 0.03 -0.29 1.33 -1.59 -1.13 0.00 0.00 175.30 173.66 2pni s LYS 80 N 1.73 0.15 -1.02 3.89 -2.85 -1.26 -5.03 119.74 115.35 2pni s LYS 80 Ca 0.05 -0.06 -0.24 0.00 -1.00 0.00 0.00 55.97 54.71 2pni s LYS 80 Cb -0.13 0.06 -0.10 0.00 -2.06 0.00 0.00 37.83 35.60 2pni s LYS 80 CO -0.08 -0.07 2.04 -1.59 0.10 0.00 0.00 175.35 175.75 2pni s LYS 81 N -2.19 2.17 -0.10 1.78 -2.85 -1.26 -4.31 119.74 112.97 2pni s LYS 81 Ca 0.12 -0.53 -0.20 0.00 -1.00 0.00 0.00 55.97 54.36 2pni s LYS 81 Cb 0.01 -5.08 -0.04 0.00 -2.06 0.00 0.00 37.83 30.66 2pni s LYS 81 CO -0.04 -4.11 0.56 0.42 0.10 0.00 0.00 175.35 172.28 2pni s ILE 82 N 12.26 5.14 0.09 3.79 1.01 -1.26 -4.99 121.20 137.23 2pni s ILE 82 Ca 0.74 1.13 -0.05 0.00 0.00 0.00 0.00 60.65 62.48 2pni s ILE 82 Cb -0.05 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 2pni s ILE 82 CO 0.09 0.30 0.11 -0.44 0.00 0.00 0.00 174.94 175.00 2pni s SER 83 N 0.69 0.26 0.00 3.58 0.01 -1.26 -1.25 113.70 115.73 2pni s SER 83 Ca 0.30 -0.87 0.00 0.00 1.31 0.00 0.00 55.95 56.69 2pni s SER 83 Cb -0.16 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.37 2pni s SER 83 CO 0.13 -0.71 0.48 -0.81 0.41 0.00 0.00 173.24 172.74