#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 1.45 0.00 1.61 2.88 -1.26 -4.40 113.62 113.90 2pni n SER 1 Ca 0.00 0.29 0.09 0.00 -1.33 0.00 0.00 58.87 57.91 2pni n SER 1 Cb 0.00 -0.69 0.42 0.00 -0.75 0.00 0.00 64.21 63.18 2pni n SER 1 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2pni n MET 1 N -3.98 0.15 0.00 -1.46 0.00 -1.26 -4.77 117.12 105.79 2pni n MET 1 Ca -0.10 0.15 0.00 0.00 0.00 0.00 0.00 57.70 57.75 2pni n MET 1 Cb 0.37 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.09 2pni n MET 1 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 2pni n SER 2 N -1.38 -0.81 -1.24 7.83 3.41 -1.26 -4.98 113.62 115.19 2pni n SER 2 Ca 0.07 -0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 2pni n SER 2 Cb 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 2pni n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pni n ALA 3 N -3.00 -1.82 -3.74 7.33 0.00 -1.26 -4.94 120.51 113.08 2pni n ALA 3 Ca 0.00 0.36 -0.28 0.00 0.00 0.00 0.00 53.44 53.52 2pni n ALA 3 Cb 0.00 -1.21 -0.11 0.00 0.00 0.00 0.00 19.45 18.12 2pni n ALA 3 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2pni n GLU 4 N -1.08 1.43 -4.27 0.00 2.13 -1.26 -4.86 120.64 112.73 2pni n GLU 4 Ca 0.00 -4.14 -0.15 0.00 0.66 0.00 0.00 57.16 53.53 2pni n GLU 4 Cb 0.04 -2.11 -0.10 0.00 0.27 0.00 0.00 31.44 29.54 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 -1.13 1.22 0.02 8.31 0.00 -1.26 -4.21 107.32 110.27 2pni s GLY 5 Ca 0.28 -1.58 0.01 0.00 0.00 0.00 0.00 44.72 43.43 2pni s GLY 5 CO -0.17 -1.61 -0.05 -0.19 0.00 0.00 0.00 173.10 171.08 2pni s TYR 6 N -3.39 0.46 0.23 1.90 2.02 -1.24 0.14 117.35 117.48 2pni s TYR 6 Ca 0.21 -0.30 0.06 0.00 -0.37 0.00 0.00 57.07 56.66 2pni s TYR 6 Cb 0.04 -0.29 -0.05 0.00 -0.40 0.00 0.00 41.96 41.26 2pni s TYR 6 CO 0.03 -0.06 -0.07 -0.65 -1.57 0.00 0.00 175.55 173.23 2pni s GLN 7 N -0.87 1.38 -0.04 -0.62 -0.21 -1.05 -2.29 119.66 115.96 2pni s GLN 7 Ca -0.05 -1.66 -0.01 0.00 0.02 0.00 0.00 55.36 53.65 2pni s GLN 7 Cb -0.06 -0.94 0.03 0.00 1.00 0.00 0.00 33.01 33.04 2pni s GLN 7 CO -0.00 0.05 0.07 0.71 -2.12 0.00 0.00 175.29 173.99 2pni s TYR 8 N -3.14 0.01 -0.19 0.91 1.51 -0.77 -2.41 117.35 113.26 2pni s TYR 8 Ca 0.26 0.27 -0.18 0.00 -1.01 0.00 0.00 57.07 56.40 2pni s TYR 8 Cb 0.03 -0.35 -0.03 0.00 -0.11 0.00 0.00 41.96 41.50 2pni s TYR 8 CO 0.08 -0.16 0.51 0.50 -1.11 0.00 0.00 175.55 175.37 2pni s ARG 9 N 1.73 4.20 -0.07 -0.62 3.52 -0.32 -1.41 118.95 125.98 2pni s ARG 9 Ca -0.01 0.40 -0.32 0.00 -0.13 0.00 0.00 55.73 55.67 2pni s ARG 9 Cb -0.12 -3.55 -0.10 0.00 -1.56 0.00 0.00 34.95 29.61 2pni s ARG 9 CO -0.03 -0.12 1.97 0.00 -0.81 0.00 0.00 175.30 176.30 2pni n ALA 10 N 4.69 1.23 0.08 6.12 0.00 -0.97 -0.98 120.51 130.67 2pni n ALA 10 Ca -0.05 0.19 -0.04 0.00 0.00 0.00 0.00 53.44 53.53 2pni n ALA 10 Cb 0.51 -2.61 -0.02 0.00 0.00 0.00 0.00 19.45 17.32 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 10.49 -0.25 -9.88 0.00 6.46 -1.48 -3.41 115.31 117.25 2pni h LEU 11 Ca -0.47 0.01 -0.56 0.00 -0.12 0.00 0.00 57.88 56.74 2pni h LEU 11 Cb 1.26 0.06 -0.08 0.00 -0.73 0.00 0.00 40.66 41.17 2pni h LEU 11 CO 0.95 0.18 -0.50 -0.31 -0.62 0.00 0.00 178.44 178.14 2pni s TYR 12 N -2.49 2.62 -0.17 1.25 1.51 -1.19 -4.93 117.35 113.96 2pni s TYR 12 Ca -0.04 -0.54 -0.25 0.00 -1.01 0.00 0.00 57.07 55.23 2pni s TYR 12 Cb 0.00 -1.90 -0.02 0.00 -0.11 0.00 0.00 41.96 39.94 2pni s TYR 12 CO 0.13 0.21 0.82 0.16 -1.11 0.00 0.00 175.55 175.75 2pni s ASP 13 N -3.90 6.94 -0.03 2.29 1.47 -1.26 -4.71 116.67 117.48 2pni s ASP 13 Ca 0.41 1.16 0.07 0.00 1.18 0.00 0.00 52.55 55.36 2pni s ASP 13 Cb 0.02 -2.45 -0.02 0.00 -0.34 0.00 0.00 42.92 40.14 2pni s ASP 13 CO 0.23 -0.38 -0.23 -0.47 0.68 0.00 0.00 175.17 174.99 2pni s TYR 14 N 2.08 2.12 0.67 2.11 5.04 -0.32 -4.97 117.35 124.09 2pni s TYR 14 Ca 0.38 -0.46 -0.03 0.00 -2.44 0.00 0.00 57.07 54.52 2pni s TYR 14 Cb -0.17 -1.38 0.08 0.00 0.35 0.00 0.00 41.96 40.85 2pni s TYR 14 CO 0.13 -0.07 0.95 0.15 -1.34 0.00 0.00 175.55 175.36 2pni s LYS 15 N -0.44 2.08 0.15 4.97 3.01 -1.26 -0.55 119.74 127.70 2pni s LYS 15 Ca 0.06 -0.67 -0.15 0.00 -1.01 0.00 0.00 55.97 54.20 2pni s LYS 15 Cb -0.10 -2.30 -0.07 0.00 -1.01 0.00 0.00 37.83 34.35 2pni s LYS 15 CO 0.00 -1.19 0.57 -1.59 0.51 0.00 0.00 175.35 173.65 2pni s LYS 16 N -5.09 4.02 0.00 1.68 0.00 -1.26 -4.77 119.74 114.31 2pni s LYS 16 Ca 0.62 0.55 0.00 0.00 0.00 0.00 0.00 55.97 57.13 2pni s LYS 16 Cb -0.09 -2.95 0.00 0.00 0.00 0.00 0.00 37.83 34.79 2pni s LYS 16 CO 0.43 0.48 0.01 -1.91 0.00 0.00 0.00 175.35 174.36 2pni n GLU 17 N 0.86 1.84 -3.92 1.78 2.13 -1.26 -5.05 120.64 117.02 2pni n GLU 17 Ca -0.05 -0.01 -0.10 0.00 0.66 0.00 0.00 57.16 57.66 2pni n GLU 17 Cb 0.52 -0.16 -0.12 0.00 0.27 0.00 0.00 31.44 31.95 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 -0.27 0.25 0.51 5.31 3.52 -1.26 -5.02 118.95 121.98 2pni s ARG 18 Ca 0.00 -0.36 0.29 0.00 -0.13 0.00 0.00 55.73 55.53 2pni s ARG 18 Cb 0.00 0.09 1.56 0.00 -1.56 0.00 0.00 34.95 35.04 2pni s ARG 18 CO 0.00 -0.04 1.86 1.05 -0.81 0.00 0.00 175.30 177.35 2pni h GLU 19 N 5.08 0.00 0.05 5.12 4.11 -2.04 -1.49 114.58 125.41 2pni h GLU 19 Ca -0.29 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.14 2pni h GLU 19 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2pni h GLU 19 CO 0.44 0.00 -0.02 0.93 0.07 0.00 0.00 179.01 180.42 2pni h GLU 20 N 0.00 -0.06 -6.67 1.06 5.08 -1.99 -3.46 114.58 108.54 2pni h GLU 20 Ca 0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.86 2pni h GLU 20 Cb 0.28 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2pni h GLU 20 CO 0.00 0.47 0.01 -0.51 -1.00 0.00 0.00 179.01 177.98 2pni s ASP 21 N -5.68 6.55 0.48 1.42 1.11 -0.56 -3.51 116.67 116.48 2pni s ASP 21 Ca -0.16 1.01 0.05 0.00 0.18 0.00 0.00 52.55 53.64 2pni s ASP 21 Cb 0.01 -2.27 -0.02 0.00 1.07 0.00 0.00 42.92 41.71 2pni s ASP 21 CO 0.63 -0.27 0.20 0.27 1.18 0.00 0.00 175.17 177.18 2pni s ILE 22 N -2.16 1.82 0.15 0.77 -4.36 -1.26 -4.66 121.20 111.51 2pni s ILE 22 Ca 0.49 -1.72 -0.31 0.00 -0.26 0.00 0.00 60.65 58.85 2pni s ILE 22 Cb -0.11 -2.54 -0.09 0.00 1.25 0.00 0.00 42.46 40.97 2pni s ILE 22 CO 0.27 0.00 1.51 -1.81 0.24 0.00 0.00 174.94 175.15 2pni s ASP 23 N -4.00 6.66 -0.14 4.36 1.01 -1.26 -4.22 116.67 119.07 2pni s ASP 23 Ca 0.30 2.53 0.02 0.00 0.71 0.00 0.00 52.55 56.12 2pni s ASP 23 Cb 0.02 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.37 2pni s ASP 23 CO 0.17 -0.77 -0.21 -0.76 0.21 0.00 0.00 175.17 173.81 2pni s LEU 24 N 1.08 2.06 0.33 1.23 1.43 0.29 -5.00 118.68 120.11 2pni s LEU 24 Ca 0.68 -0.59 0.03 0.00 -1.03 0.00 0.00 54.13 53.22 2pni s LEU 24 Cb -0.42 -1.41 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 2pni s LEU 24 CO 0.31 0.06 0.10 -1.38 0.23 0.00 0.00 176.35 175.67 2pni s HIS 25 N 0.91 1.79 0.60 0.29 -3.43 -1.26 -1.18 115.29 113.00 2pni s HIS 25 Ca -0.05 -1.14 -0.18 0.00 -0.80 0.00 0.00 55.06 52.89 2pni s HIS 25 Cb -0.15 -1.13 -0.03 0.00 -1.43 0.00 0.00 32.58 29.84 2pni s HIS 25 CO -0.03 -0.20 1.19 -0.51 -2.00 0.00 0.00 174.74 173.18 2pni s LEU 26 N -3.48 3.64 0.00 5.38 1.43 -1.26 -3.07 118.68 121.32 2pni s LEU 26 Ca 0.33 2.34 0.00 0.00 -1.03 0.00 0.00 54.13 55.77 2pni s LEU 26 Cb 0.06 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.69 2pni s LEU 26 CO 0.15 -1.59 0.00 0.61 0.23 0.00 0.00 176.35 175.75 2pni n GLY 27 N 0.40 2.50 3.60 -3.19 0.00 -1.26 -4.95 105.19 102.29 2pni n GLY 27 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.60 5.57 0.35 1.61 1.11 -1.18 -4.95 116.67 115.58 2pni s ASP 28 Ca 0.00 1.76 -0.06 0.00 0.18 0.00 0.00 52.55 54.43 2pni s ASP 28 Cb 0.00 -2.51 -0.05 0.00 1.07 0.00 0.00 42.92 41.42 2pni s ASP 28 CO 0.00 -1.89 0.64 -0.51 1.18 0.00 0.00 175.17 174.59 2pni s ILE 29 N 7.94 4.95 0.02 0.77 1.10 -1.26 -2.29 121.20 132.43 2pni s ILE 29 Ca 0.95 0.18 0.05 0.00 -0.51 0.00 0.00 60.65 61.32 2pni s ILE 29 Cb -0.31 -3.76 -0.02 0.00 0.15 0.00 0.00 42.46 38.52 2pni s ILE 29 CO 0.35 -0.47 -0.15 -0.76 -2.11 0.00 0.00 174.94 171.80 2pni s LEU 30 N -3.86 2.12 0.02 8.50 1.02 -0.50 -4.12 118.68 121.86 2pni s LEU 30 Ca 0.46 -0.39 0.05 0.00 0.02 0.00 0.00 54.13 54.27 2pni s LEU 30 Cb -0.10 -0.68 -0.02 0.00 0.02 0.00 0.00 46.19 45.41 2pni s LEU 30 CO 0.33 0.09 -0.16 -0.89 0.02 0.00 0.00 176.35 175.74 2pni s THR 31 N -0.67 1.26 0.00 5.49 2.01 -1.01 -1.84 115.64 120.88 2pni s THR 31 Ca 0.03 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.15 2pni s THR 31 Cb -0.07 -1.09 0.00 0.00 0.01 0.00 0.00 72.50 71.35 2pni s THR 31 CO 0.01 0.19 0.00 0.52 -0.69 0.00 0.00 174.62 174.65 2pni n VAL 32 N 2.25 0.00 -4.23 3.82 0.31 -0.97 -2.78 118.33 116.73 2pni n VAL 32 Ca -0.16 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.04 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 -3.20 -1.32 0.00 0.00 176.83 172.31 2pni n ASN 33 N 0.00 2.47 -0.05 4.52 5.15 -1.26 -4.80 115.26 121.28 2pni n ASN 33 Ca 0.00 -1.87 -0.09 0.00 -0.60 0.00 0.00 54.58 52.03 2pni n ASN 33 Cb 0.00 0.12 -0.04 0.00 -0.53 0.00 0.00 39.78 39.34 2pni n ASN 33 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2pni n LYS 34 N -0.55 0.22 -2.12 1.20 5.02 -1.26 -3.61 118.16 117.06 2pni n LYS 34 Ca -0.08 0.08 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 2pni n LYS 34 Cb 0.25 -1.00 0.04 0.00 -0.02 0.00 0.00 35.03 34.30 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 2.68 1.44 2.25 0.72 0.00 -1.26 -4.29 105.19 106.73 2pni n GLY 35 Ca -0.18 -0.48 -0.19 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.58 0.23 0.20 1.61 7.64 -1.26 -4.92 113.62 116.53 2pni n SER 36 Ca -0.10 -2.97 0.18 0.00 1.01 0.00 0.00 58.87 56.99 2pni n SER 36 Cb 0.87 -0.33 0.83 0.00 -1.01 0.00 0.00 64.21 64.56 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 3.36 0.00 0.00 -3.43 3.38 -1.92 -1.86 115.31 114.84 2pni h LEU 37 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2pni h LEU 37 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2pni h LEU 37 CO 0.45 0.00 0.07 0.52 0.09 0.00 0.00 178.44 179.57 2pni n VAL 38 N -3.69 1.68 -0.12 1.22 0.31 -1.26 -2.13 118.33 114.35 2pni n VAL 38 Ca 0.02 0.49 0.27 0.00 -0.01 0.00 0.00 64.34 65.11 2pni n VAL 38 Cb 0.38 -1.49 0.67 0.00 -0.91 0.00 0.00 33.84 32.49 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 1.72 2.65 -0.00 3.52 0.00 -1.71 -1.19 119.26 124.25 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 0.14 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2pni h ALA 39 CO 0.00 -1.19 -0.09 1.28 0.00 0.00 0.00 179.25 179.25 2pni n LEU 40 N -3.73 0.50 0.00 0.00 4.77 -0.90 -4.99 117.00 112.65 2pni n LEU 40 Ca 0.17 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 2pni n LEU 40 Cb 1.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.14 2pni n LEU 40 CO 0.30 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 2pni n GLY 41 N 0.77 0.45 3.80 -0.72 0.00 -0.45 -5.05 105.19 104.00 2pni n GLY 41 Ca 0.01 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 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 3.52 -0.24 1.61 0.40 -1.24 -4.97 117.98 115.06 2pni s PHE 42 Ca 0.00 1.65 0.17 0.00 -0.60 0.00 0.00 56.93 58.15 2pni s PHE 42 Cb 0.00 -2.84 0.41 0.00 0.51 0.00 0.00 43.02 41.10 2pni s PHE 42 CO 0.00 0.09 1.28 0.45 0.70 0.00 0.00 175.22 177.74 2pni n SER 43 N 0.05 0.01 0.03 1.36 2.88 -1.26 -4.27 113.62 112.42 2pni n SER 43 Ca 0.04 -2.10 -0.01 0.00 -1.33 0.00 0.00 58.87 55.47 2pni n SER 43 Cb 0.52 0.09 -0.00 0.00 -0.75 0.00 0.00 64.21 64.07 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 -0.82 0.76 0.00 -3.46 -0.08 -1.26 -5.09 116.55 106.59 2pni n ASP 44 Ca -0.07 0.10 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 2pni n ASP 44 Cb 0.86 -0.24 0.00 0.00 2.34 0.00 0.00 41.12 44.08 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 3.25 0.79 0.00 0.27 0.00 -1.26 -5.10 105.19 103.14 2pni n GLY 45 Ca -0.01 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.55 1.61 1.13 -1.26 -4.95 117.38 110.37 2pni n GLN 46 Ca 0.00 0.04 -0.28 0.00 -1.94 0.00 0.00 57.00 54.82 2pni n GLN 46 Cb 0.00 -0.28 -0.05 0.00 0.11 0.00 0.00 30.24 30.02 2pni n GLN 46 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 2pni n GLU 47 N -1.51 -1.05 0.00 -1.09 0.28 -1.26 -4.39 120.64 111.63 2pni n GLU 47 Ca 0.00 0.09 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 2pni n GLU 47 Cb 0.00 -3.57 0.00 0.00 1.43 0.00 0.00 31.44 29.30 2pni n GLU 47 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2pni n ALA 48 N -3.01 0.00 -3.56 -1.84 0.00 -1.26 -4.91 120.51 105.94 2pni n ALA 48 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.25 2pni n ALA 48 Cb 0.35 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.70 2pni n ALA 48 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2pni n LYS 49 N 0.00 1.41 0.21 0.00 5.02 -1.26 -4.86 118.16 118.66 2pni n LYS 49 Ca 0.00 -4.01 0.12 0.00 -2.02 0.00 0.00 58.31 52.40 2pni n LYS 49 Cb 0.09 -1.96 0.63 0.00 -0.02 0.00 0.00 35.03 33.77 2pni n LYS 49 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 2pni h PRO 50 N 4.96 0.00 -0.31 1.97 0.11 -1.91 -2.86 132.00 133.96 2pni h PRO 50 Ca 0.18 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.30 2pni h PRO 50 Cb 0.79 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.88 2pni h PRO 50 CO 0.62 0.00 0.20 0.93 -0.21 0.00 0.00 178.00 179.53 2pni h GLU 51 N 0.00 0.39 0.02 1.05 5.08 -1.92 -3.22 114.58 115.98 2pni h GLU 51 Ca 0.00 -0.02 -0.30 0.00 -1.00 0.00 0.00 59.36 58.04 2pni h GLU 51 Cb 0.25 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 2pni h GLU 51 CO 0.00 0.26 -1.72 1.05 -1.00 0.00 0.00 179.01 177.59 2pni h GLU 52 N 0.40 0.05 -6.96 2.33 4.11 -1.87 -3.47 114.58 109.17 2pni h GLU 52 Ca 0.12 -0.08 -0.52 0.00 0.07 0.00 0.00 59.36 58.95 2pni h GLU 52 Cb -0.03 0.03 0.08 0.00 0.50 0.00 0.00 28.75 29.33 2pni h GLU 52 CO -0.04 0.63 0.58 0.42 0.07 0.00 0.00 179.01 180.67 2pni s ILE 53 N -2.60 2.71 0.00 -1.06 1.01 -1.18 -5.01 121.20 115.07 2pni s ILE 53 Ca -0.07 0.61 0.00 0.00 0.00 0.00 0.00 60.65 61.19 2pni s ILE 53 Cb 0.08 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 39.20 2pni s ILE 53 CO 0.82 0.07 0.00 0.61 0.00 0.00 0.00 174.94 176.43 2pni n GLY 54 N 0.64 0.97 3.79 6.18 0.00 -1.26 -4.42 105.19 111.10 2pni n GLY 54 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 0.37 3.63 0.09 1.61 0.52 -1.26 -2.00 118.94 121.89 2pni s TRP 55 Ca 0.00 0.90 0.09 0.00 0.02 0.00 0.00 56.10 57.11 2pni s TRP 55 Cb 0.00 -2.36 -0.04 0.00 -1.15 0.00 0.00 33.47 29.93 2pni s TRP 55 CO 0.00 0.47 -0.21 -0.51 0.02 0.00 0.00 176.95 176.71 2pni s LEU 56 N -0.42 2.51 -0.11 2.99 1.02 -0.48 -4.96 118.68 119.23 2pni s LEU 56 Ca 0.23 -0.56 0.02 0.00 0.02 0.00 0.00 54.13 53.84 2pni s LEU 56 Cb -0.16 -1.43 -0.01 0.00 0.02 0.00 0.00 46.19 44.62 2pni s LEU 56 CO 0.11 0.21 -0.19 0.20 0.02 0.00 0.00 176.35 176.70 2pni s ASN 57 N -1.78 3.51 0.27 2.29 0.02 -1.26 -1.35 114.94 116.65 2pni s ASN 57 Ca 0.15 -0.45 -0.21 0.00 -1.02 0.00 0.00 52.86 51.33 2pni s ASN 57 Cb -0.10 -1.47 0.02 0.00 0.02 0.00 0.00 41.25 39.72 2pni s ASN 57 CO 0.07 0.17 0.74 -0.83 0.02 0.00 0.00 177.10 177.26 2pni s GLY 58 N 0.31 -0.10 0.07 0.66 0.00 -0.82 -4.86 107.32 102.58 2pni s GLY 58 Ca -0.15 -0.28 -0.17 0.00 0.00 0.00 0.00 44.72 44.13 2pni s GLY 58 CO 0.07 -0.08 0.52 -0.19 0.00 0.00 0.00 173.10 173.42 2pni s TYR 59 N -3.88 3.74 -0.97 1.90 1.51 -1.12 -2.22 117.35 116.32 2pni s TYR 59 Ca 0.11 1.14 -0.02 0.00 -1.01 0.00 0.00 57.07 57.29 2pni s TYR 59 Cb -0.06 -2.41 0.28 0.00 -0.11 0.00 0.00 41.96 39.67 2pni s TYR 59 CO 0.07 0.57 1.20 0.09 -1.11 0.00 0.00 175.55 176.37 2pni n ASN 60 N 1.55 5.49 -0.44 2.29 4.13 -0.24 -2.40 115.26 125.64 2pni n ASN 60 Ca -0.10 -3.34 0.37 0.00 1.68 0.00 0.00 54.58 53.18 2pni n ASN 60 Cb 0.51 -1.13 0.67 0.00 -1.54 0.00 0.00 39.78 38.30 2pni n ASN 60 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 2pni h GLU 61 N 5.39 0.11 -0.55 3.52 5.08 -1.74 -0.17 114.58 126.22 2pni h GLU 61 Ca 0.19 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.65 2pni h GLU 61 Cb 0.68 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.82 2pni h GLU 61 CO 1.13 0.07 0.06 1.15 -1.00 0.00 0.00 179.01 180.43 2pni h THR 62 N 0.11 0.62 -0.01 1.13 2.02 -1.91 -1.83 112.91 113.04 2pni h THR 62 Ca 0.75 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.86 2pni h THR 62 Cb 2.52 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 69.35 2pni h THR 62 CO -0.24 0.03 -0.38 1.07 0.37 0.00 0.00 175.52 176.38 2pni n THR 63 N -5.18 0.00 -3.23 3.16 5.66 -0.79 -4.97 114.28 108.91 2pni n THR 63 Ca 0.07 -0.31 -0.15 0.00 -3.05 0.00 0.00 64.05 60.61 2pni n THR 63 Cb 0.30 1.22 0.07 0.00 -1.55 0.00 0.00 70.33 70.36 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 1.24 -0.24 3.77 1.09 0.00 -0.14 -5.04 105.19 105.87 2pni n GLY 64 Ca 0.08 0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 -5.35 2.20 -0.14 1.61 2.56 -0.80 -4.98 118.70 113.80 2pni s GLU 65 Ca 0.11 -2.37 -0.11 0.00 0.00 0.00 0.00 54.97 52.61 2pni s GLU 65 Cb -0.05 -1.58 0.04 0.00 2.00 0.00 0.00 34.13 34.54 2pni s GLU 65 CO 0.60 -0.38 0.36 0.50 -0.56 0.00 0.00 175.26 175.79 2pni s ARG 66 N -3.91 0.39 0.00 4.30 3.52 -1.26 -1.08 118.95 120.91 2pni s ARG 66 Ca 0.08 0.58 0.00 0.00 -0.13 0.00 0.00 55.73 56.26 2pni s ARG 66 Cb 0.01 0.12 0.00 0.00 -1.56 0.00 0.00 34.95 33.52 2pni s ARG 66 CO 0.05 -0.09 0.00 0.41 -0.81 0.00 0.00 175.30 174.86 2pni n GLY 67 N 3.37 -0.70 3.79 8.12 0.00 -0.94 -4.87 105.19 113.96 2pni n GLY 67 Ca -0.17 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.20 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 5.38 -0.18 1.61 1.01 -1.23 -1.94 116.67 117.32 2pni s ASP 68 Ca 0.00 -0.26 -0.27 0.00 0.71 0.00 0.00 52.55 52.73 2pni s ASP 68 Cb 0.00 -1.34 0.07 0.00 1.01 0.00 0.00 42.92 42.66 2pni s ASP 68 CO 0.00 0.00 0.69 0.72 0.21 0.00 0.00 175.17 176.79 2pni s PHE 69 N -2.02 -0.72 0.66 4.23 -0.71 -0.45 -4.10 117.98 114.86 2pni s PHE 69 Ca 0.32 1.58 -0.15 0.00 -1.04 0.00 0.00 56.93 57.63 2pni s PHE 69 Cb -0.08 0.31 -0.00 0.00 -1.21 0.00 0.00 43.02 42.04 2pni s PHE 69 CO 0.24 -0.46 1.13 -1.25 -1.34 0.00 0.00 175.22 173.53 2pni s PRO 70 N -0.23 2.76 -0.05 1.99 0.04 -1.26 -1.39 135.00 136.85 2pni s PRO 70 Ca -0.04 1.47 0.03 0.00 0.04 0.00 0.00 61.00 62.50 2pni s PRO 70 Cb -0.03 -1.94 0.19 0.00 0.04 0.00 0.00 34.50 32.76 2pni s PRO 70 CO 0.04 -1.30 0.81 0.41 0.04 0.00 0.00 177.00 177.01 2pni n GLY 71 N -0.30 1.76 0.07 0.56 0.00 -0.85 -3.74 105.19 102.68 2pni n GLY 71 Ca 0.11 -0.22 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 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 0.14 0.88 1.50 2.61 -2.24 -1.26 -4.12 114.28 111.79 2pni n THR 72 Ca 0.07 -0.49 0.14 0.00 -2.27 0.00 0.00 64.05 61.49 2pni n THR 72 Cb 0.46 -0.76 0.53 0.00 -2.10 0.00 0.00 70.33 68.46 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 -2.59 0.00 -4.66 4.78 4.01 -1.25 -4.88 117.16 112.58 2pni n TYR 73 Ca -0.22 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.22 2pni n TYR 73 Cb 0.89 -0.01 -0.06 0.00 -0.31 0.00 0.00 39.34 39.84 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 -3.68 -0.72 0.24 -1.26 -1.36 118.33 111.64 2pni n VAL 74 Ca 0.19 -2.24 -0.13 0.00 -2.04 0.00 0.00 64.34 60.11 2pni n VAL 74 Cb 0.35 0.52 -0.13 0.00 -1.47 0.00 0.00 33.84 33.11 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 -3.66 0.15 -0.07 7.34 2.56 -0.15 -4.65 118.70 120.22 2pni s GLU 75 Ca 0.04 0.70 -0.34 0.00 0.00 0.00 0.00 54.97 55.36 2pni s GLU 75 Cb 0.00 -0.06 -0.12 0.00 2.00 0.00 0.00 34.13 35.95 2pni s GLU 75 CO 0.03 -0.26 1.85 0.98 -0.56 0.00 0.00 175.26 177.30 2pni n TYR 76 N 5.13 2.32 -0.09 5.30 9.36 -1.26 -1.18 117.16 136.74 2pni n TYR 76 Ca -0.10 0.02 -0.14 0.00 3.32 0.00 0.00 57.90 61.01 2pni n TYR 76 Cb 0.50 -2.65 -0.07 0.00 -0.63 0.00 0.00 39.34 36.50 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 4.99 1.48 -3.55 2.97 -5.35 -1.01 -4.90 119.36 113.99 2pni n ILE 77 Ca 0.22 0.08 -0.08 0.00 -0.27 0.00 0.00 62.75 62.70 2pni n ILE 77 Cb 0.29 -2.21 -0.03 0.00 -1.74 0.00 0.00 39.64 35.96 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 -4.60 -0.37 0.59 3.28 0.00 -1.25 -5.07 107.32 99.90 2pni s GLY 78 Ca -0.23 1.42 -0.06 0.00 0.00 0.00 0.00 44.72 45.84 2pni s GLY 78 CO 0.41 0.55 0.91 1.09 0.00 0.00 0.00 173.10 176.05 2pni s ARG 79 N -2.48 2.96 -1.59 2.90 3.03 -1.26 -2.54 118.95 119.96 2pni s ARG 79 Ca 0.05 0.05 0.00 0.00 2.03 0.00 0.00 55.73 57.86 2pni s ARG 79 Cb -0.01 -2.26 0.00 0.00 -1.03 0.00 0.00 34.95 31.65 2pni s ARG 79 CO -0.06 -0.69 0.00 1.63 -1.13 0.00 0.00 175.30 175.05 2pni n LYS 80 N -2.60 -1.15 -0.59 3.89 5.02 -0.26 -4.87 118.16 117.60 2pni n LYS 80 Ca 0.04 0.98 0.05 0.00 -2.02 0.00 0.00 58.31 57.36 2pni n LYS 80 Cb 0.57 -5.21 0.27 0.00 -0.02 0.00 0.00 35.03 30.65 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 -2.54 3.56 -2.90 1.97 4.01 0.37 -4.58 118.16 118.05 2pni n LYS 81 Ca -0.17 -2.13 -0.44 0.00 -0.51 0.00 0.00 58.31 55.06 2pni n LYS 81 Cb 0.56 -1.98 -0.01 0.00 -0.51 0.00 0.00 35.03 33.09 2pni n LYS 81 CO 0.00 0.00 0.00 -1.50 -1.11 0.00 0.00 177.40 174.79 2pni s ILE 82 N -2.14 4.84 -0.44 -0.18 2.07 0.51 -4.70 121.20 121.16 2pni s ILE 82 Ca 0.37 -2.25 0.07 0.00 -1.41 0.00 0.00 60.65 57.43 2pni s ILE 82 Cb 0.28 -4.91 0.25 0.00 0.13 0.00 0.00 42.46 38.21 2pni s ILE 82 CO 0.12 -1.64 0.72 -1.54 -1.91 0.00 0.00 174.94 170.69 2pni n SER 83 N 6.22 -1.39 0.00 4.50 3.41 -1.26 -4.82 113.62 120.27 2pni n SER 83 Ca 0.34 -3.02 0.02 0.00 -0.26 0.00 0.00 58.87 55.95 2pni n SER 83 Cb 0.45 0.64 0.14 0.00 -0.26 0.00 0.00 64.21 65.18 2pni n SER 83 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07