#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pni s SER 1 N 0.00 -0.90 0.18 1.61 1.04 -1.26 -5.17 113.70 109.20 2pni s SER 1 Ca 0.00 1.24 0.04 0.00 0.48 0.00 0.00 55.95 57.70 2pni s SER 1 Cb 0.00 2.00 -0.03 0.00 0.10 0.00 0.00 66.02 68.08 2pni s SER 1 CO 0.00 -0.23 0.28 -0.04 0.98 0.00 0.00 173.24 174.23 2pni s MET 1 N 2.81 3.36 0.49 4.02 -1.94 -1.26 -4.99 119.30 121.78 2pni s MET 1 Ca 0.01 -0.69 0.00 0.00 -1.71 0.00 0.00 55.69 53.30 2pni s MET 1 Cb -0.13 -2.89 0.00 0.00 2.01 0.00 0.00 34.83 33.82 2pni s MET 1 CO -0.18 0.49 0.00 -1.13 -0.01 0.00 0.00 175.02 174.19 2pni n SER 2 N -0.75 -8.79 -3.64 3.03 3.41 -1.26 -5.05 113.62 100.57 2pni n SER 2 Ca -0.08 1.03 -0.08 0.00 -0.26 0.00 0.00 58.87 59.48 2pni n SER 2 Cb 0.55 -4.74 -0.07 0.00 -0.26 0.00 0.00 64.21 59.69 2pni n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pni s ALA 3 N -3.26 -1.99 -0.83 7.33 0.00 -1.26 -5.10 121.76 116.66 2pni s ALA 3 Ca 0.00 2.08 -0.17 0.00 0.00 0.00 0.00 51.96 53.87 2pni s ALA 3 Cb 0.00 -1.45 0.16 0.00 0.00 0.00 0.00 23.12 21.83 2pni s ALA 3 CO 0.00 -0.31 0.91 -1.21 0.00 0.00 0.00 175.76 175.15 2pni s GLU 4 N 0.77 3.49 0.00 0.00 2.02 -1.26 -4.92 118.70 118.80 2pni s GLU 4 Ca -0.03 -1.93 0.00 0.00 0.02 0.00 0.00 54.97 53.03 2pni s GLU 4 Cb -0.05 -4.60 0.00 0.00 0.10 0.00 0.00 34.13 29.58 2pni s GLU 4 CO -0.09 -1.55 0.00 0.41 0.02 0.00 0.00 175.26 174.05 2pni n GLY 5 N 4.88 0.09 3.90 -1.39 0.00 -1.26 -4.57 105.19 106.84 2pni n GLY 5 Ca 0.14 -1.64 -0.32 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.43 3.48 0.21 1.61 2.02 -1.16 -4.09 117.35 116.99 2pni s TYR 6 Ca 0.00 0.57 0.06 0.00 -0.37 0.00 0.00 57.07 57.33 2pni s TYR 6 Cb 0.00 -2.02 -0.05 0.00 -0.40 0.00 0.00 41.96 39.49 2pni s TYR 6 CO 0.00 0.44 -0.09 -0.65 -1.57 0.00 0.00 175.55 173.68 2pni s GLN 7 N -2.60 1.31 0.13 -0.62 -0.21 -0.63 -1.60 119.66 115.45 2pni s GLN 7 Ca 0.40 -1.61 -0.01 0.00 0.02 0.00 0.00 55.36 54.15 2pni s GLN 7 Cb -0.12 -0.91 -0.04 0.00 1.00 0.00 0.00 33.01 32.94 2pni s GLN 7 CO 0.24 0.07 0.07 0.71 -2.12 0.00 0.00 175.29 174.26 2pni s TYR 8 N -3.15 0.83 -0.17 0.91 1.51 -0.93 -2.52 117.35 113.84 2pni s TYR 8 Ca 0.24 -1.21 -0.00 0.00 -1.01 0.00 0.00 57.07 55.09 2pni s TYR 8 Cb 0.02 -0.46 0.04 0.00 -0.11 0.00 0.00 41.96 41.46 2pni s TYR 8 CO 0.07 -0.53 -0.06 0.50 -1.11 0.00 0.00 175.55 174.41 2pni s ARG 9 N -4.04 1.57 -0.13 -0.62 3.52 0.39 -1.85 118.95 117.78 2pni s ARG 9 Ca 0.24 -0.59 -0.32 0.00 -0.13 0.00 0.00 55.73 54.93 2pni s ARG 9 Cb 0.07 -2.09 -0.10 0.00 -1.56 0.00 0.00 34.95 31.27 2pni s ARG 9 CO 0.02 -0.43 2.02 0.00 -0.81 0.00 0.00 175.30 176.10 2pni n ALA 10 N 4.83 1.24 0.08 6.12 0.00 -0.70 -0.04 120.51 132.04 2pni n ALA 10 Ca -0.13 0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.32 2pni n ALA 10 Cb 0.47 -2.64 -0.04 0.00 0.00 0.00 0.00 19.45 17.25 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 11.25 0.28 -7.76 0.00 5.85 -1.60 -3.35 115.31 119.98 2pni h LEU 11 Ca -0.44 -0.24 -0.20 0.00 0.84 0.00 0.00 57.88 57.83 2pni h LEU 11 Cb 1.27 -0.09 -0.26 0.00 0.37 0.00 0.00 40.66 41.95 2pni h LEU 11 CO 0.96 1.07 -0.66 -0.31 -0.34 0.00 0.00 178.44 179.16 2pni s TYR 12 N -3.10 0.03 -0.41 1.25 2.02 -1.23 -4.96 117.35 110.94 2pni s TYR 12 Ca -0.03 -0.04 -0.27 0.00 -0.37 0.00 0.00 57.07 56.36 2pni s TYR 12 Cb 0.10 -0.03 -0.05 0.00 -0.40 0.00 0.00 41.96 41.57 2pni s TYR 12 CO 0.84 -0.08 2.16 0.16 -1.57 0.00 0.00 175.55 177.06 2pni s ASP 13 N -0.42 5.09 -0.19 2.29 1.47 -1.26 -4.81 116.67 118.84 2pni s ASP 13 Ca -0.05 1.20 -0.09 0.00 1.18 0.00 0.00 52.55 54.79 2pni s ASP 13 Cb -0.03 -2.51 -0.05 0.00 -0.34 0.00 0.00 42.92 39.99 2pni s ASP 13 CO -0.00 -2.36 0.11 -0.47 0.68 0.00 0.00 175.17 173.13 2pni s TYR 14 N 9.76 3.37 0.51 2.11 5.04 0.54 -4.92 117.35 133.75 2pni s TYR 14 Ca 0.90 0.26 -0.03 0.00 -2.44 0.00 0.00 57.07 55.76 2pni s TYR 14 Cb -0.21 -2.12 -0.00 0.00 0.35 0.00 0.00 41.96 39.97 2pni s TYR 14 CO 0.29 0.27 0.78 0.15 -1.34 0.00 0.00 175.55 175.70 2pni s LYS 15 N 0.28 3.09 0.06 4.97 1.02 -1.26 -0.56 119.74 127.34 2pni s LYS 15 Ca 0.07 -0.18 -0.20 0.00 0.02 0.00 0.00 55.97 55.68 2pni s LYS 15 Cb -0.11 -2.42 -0.06 0.00 -0.52 0.00 0.00 37.83 34.72 2pni s LYS 15 CO -0.01 -0.43 0.60 -1.59 -0.92 0.00 0.00 175.35 173.00 2pni s LYS 16 N -4.76 4.27 0.00 1.68 -2.85 -1.25 -4.84 119.74 111.99 2pni s LYS 16 Ca 0.50 0.78 0.00 0.00 -1.00 0.00 0.00 55.97 56.26 2pni s LYS 16 Cb -0.10 -3.27 0.00 0.00 -2.06 0.00 0.00 37.83 32.40 2pni s LYS 16 CO 0.42 0.56 0.00 -1.91 0.10 0.00 0.00 175.35 174.52 2pni n GLU 17 N 1.98 3.37 -4.33 1.78 2.13 -1.26 -5.05 120.64 119.26 2pni n GLU 17 Ca -0.09 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.48 2pni n GLU 17 Cb 0.51 -0.68 -0.12 0.00 0.27 0.00 0.00 31.44 31.41 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 -0.84 1.24 0.63 5.31 3.52 -1.26 -5.02 118.95 122.52 2pni s ARG 18 Ca 0.00 -1.27 0.41 0.00 -0.13 0.00 0.00 55.73 54.73 2pni s ARG 18 Cb 0.00 -1.52 2.08 0.00 -1.56 0.00 0.00 34.95 33.96 2pni s ARG 18 CO 0.00 0.35 2.25 0.93 -0.81 0.00 0.00 175.30 178.02 2pni h GLU 19 N 3.82 0.00 0.00 5.12 5.08 -2.03 -1.51 114.58 125.06 2pni h GLU 19 Ca -0.46 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.70 2pni h GLU 19 Cb 1.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 2pni h GLU 19 CO 0.42 0.00 -1.41 1.49 -1.00 0.00 0.00 179.01 178.52 2pni h GLU 20 N 0.00 0.00 -6.62 2.33 4.57 -1.96 -3.47 114.58 109.43 2pni h GLU 20 Ca -0.00 0.00 -0.51 0.00 -1.18 0.00 0.00 59.36 57.67 2pni h GLU 20 Cb 0.16 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 2pni h GLU 20 CO 0.00 0.38 -0.03 -0.51 -1.18 0.00 0.00 179.01 177.68 2pni s ASP 21 N -5.95 6.53 0.19 1.04 1.01 -0.57 -1.65 116.67 117.28 2pni s ASP 21 Ca -0.03 0.94 0.00 0.00 0.71 0.00 0.00 52.55 54.18 2pni s ASP 21 Cb 0.08 -2.24 -0.00 0.00 1.01 0.00 0.00 42.92 41.77 2pni s ASP 21 CO 0.81 -0.24 0.01 -0.38 0.21 0.00 0.00 175.17 175.57 2pni n ILE 22 N -0.86 0.00 -3.01 0.77 -0.00 -1.26 -4.61 119.36 110.39 2pni n ILE 22 Ca 0.01 -0.92 -0.41 0.00 -0.00 0.00 0.00 62.75 61.43 2pni n ILE 22 Cb 0.54 0.20 -0.05 0.00 -0.00 0.00 0.00 39.64 40.32 2pni n ILE 22 CO 0.00 0.00 0.00 -1.81 -0.00 0.00 0.00 176.55 174.74 2pni s ASP 23 N -2.06 6.71 -0.19 4.38 1.11 -1.26 -3.78 116.67 121.57 2pni s ASP 23 Ca 0.01 0.87 -0.01 0.00 0.18 0.00 0.00 52.55 53.61 2pni s ASP 23 Cb 0.00 -2.38 0.01 0.00 1.07 0.00 0.00 42.92 41.62 2pni s ASP 23 CO 0.01 -0.42 -0.15 -0.76 1.18 0.00 0.00 175.17 175.03 2pni s LEU 24 N 2.56 2.38 0.00 1.23 1.43 0.27 -5.00 118.68 121.56 2pni s LEU 24 Ca 0.30 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 2pni s LEU 24 Cb -0.15 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.50 2pni s LEU 24 CO 0.08 -0.01 0.03 1.41 0.23 0.00 0.00 176.35 178.09 2pni n HIS 25 N 4.68 -2.53 -2.67 0.29 8.25 -1.26 -0.34 115.22 121.64 2pni n HIS 25 Ca -0.20 -0.08 -0.30 0.00 -0.26 0.00 0.00 57.72 56.88 2pni n HIS 25 Cb 0.50 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.57 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 3.71 0.00 2.41 1.43 -1.26 -3.88 118.68 121.09 2pni s LEU 26 Ca 0.02 1.18 0.00 0.00 -1.03 0.00 0.00 54.13 54.30 2pni s LEU 26 Cb -0.00 -4.10 0.00 0.00 0.03 0.00 0.00 46.19 42.12 2pni s LEU 26 CO 0.01 -0.50 0.00 0.61 0.23 0.00 0.00 176.35 176.70 2pni n GLY 27 N -1.63 0.00 3.69 -3.19 0.00 -1.26 -4.91 105.19 97.89 2pni n GLY 27 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.60 6.88 0.07 1.61 1.11 -1.25 -4.92 116.67 118.57 2pni s ASP 28 Ca 0.00 2.07 -0.06 0.00 0.18 0.00 0.00 52.55 54.73 2pni s ASP 28 Cb 0.00 -2.56 -0.05 0.00 1.07 0.00 0.00 42.92 41.38 2pni s ASP 28 CO 0.00 -0.70 0.33 -0.63 1.18 0.00 0.00 175.17 175.35 2pni s ILE 29 N 2.37 5.22 0.29 0.77 1.09 -1.26 -1.73 121.20 127.95 2pni s ILE 29 Ca 0.63 0.14 0.10 0.00 -1.10 0.00 0.00 60.65 60.41 2pni s ILE 29 Cb -0.30 -3.61 -0.05 0.00 -1.06 0.00 0.00 42.46 37.44 2pni s ILE 29 CO 0.26 0.22 -0.04 -0.76 -0.10 0.00 0.00 174.94 174.52 2pni s LEU 30 N -2.15 2.99 0.10 2.97 1.02 -0.77 -4.33 118.68 118.52 2pni s LEU 30 Ca 0.34 -0.84 0.05 0.00 0.02 0.00 0.00 54.13 53.70 2pni s LEU 30 Cb -0.13 -1.47 -0.03 0.00 0.02 0.00 0.00 46.19 44.58 2pni s LEU 30 CO 0.20 -0.07 -0.12 -0.89 0.02 0.00 0.00 176.35 175.49 2pni s THR 31 N -2.43 1.11 0.00 5.49 2.01 -0.80 -2.18 115.64 118.84 2pni s THR 31 Ca 0.32 -1.59 0.00 0.00 0.31 0.00 0.00 61.69 60.73 2pni s THR 31 Cb -0.04 -1.35 0.00 0.00 0.01 0.00 0.00 72.50 71.12 2pni s THR 31 CO 0.19 -0.44 0.00 0.52 -0.69 0.00 0.00 174.62 174.20 2pni n VAL 32 N 0.70 0.00 -1.94 3.82 0.31 -0.63 -1.05 118.33 119.55 2pni n VAL 32 Ca -0.17 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 63.86 2pni n VAL 32 Cb 0.57 0.00 0.19 0.00 -0.91 0.00 0.00 33.84 33.68 2pni n VAL 32 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2pni s ASN 33 N 1.00 3.11 0.00 4.52 3.84 -1.26 -4.44 114.94 121.70 2pni s ASN 33 Ca 0.00 0.26 0.00 0.00 0.21 0.00 0.00 52.86 53.33 2pni s ASN 33 Cb 0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 41.25 40.40 2pni s ASN 33 CO 0.00 -2.74 0.00 2.29 -2.79 0.00 0.00 177.10 173.86 2pni n LYS 34 N -3.77 2.27 -1.89 0.43 2.85 -1.26 -3.01 118.16 113.79 2pni n LYS 34 Ca 0.15 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.39 2pni n LYS 34 Cb 0.59 -0.98 0.03 0.00 -0.65 0.00 0.00 35.03 34.02 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 3.09 1.27 2.49 2.58 0.00 -1.26 -4.60 105.19 108.76 2pni n GLY 35 Ca 0.00 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.47 -0.70 0.30 1.61 7.64 -1.26 -4.90 113.62 115.83 2pni n SER 36 Ca -0.13 -3.25 0.20 0.00 1.01 0.00 0.00 58.87 56.70 2pni n SER 36 Cb 0.85 0.61 1.03 0.00 -1.01 0.00 0.00 64.21 65.70 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 2.93 0.00 0.00 -3.43 8.10 -1.91 -1.84 115.31 119.15 2pni h LEU 37 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.96 2pni h LEU 37 Cb 1.06 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.28 2pni h LEU 37 CO 0.30 0.00 0.07 0.52 -4.11 0.00 0.00 178.44 175.22 2pni n VAL 38 N -2.91 1.56 -0.51 0.15 0.31 -1.26 -2.97 118.33 112.70 2pni n VAL 38 Ca -0.02 0.46 0.42 0.00 -0.01 0.00 0.00 64.34 65.19 2pni n VAL 38 Cb 0.10 -1.46 0.70 0.00 -0.91 0.00 0.00 33.84 32.26 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 -1.38 1.44 0.20 3.52 0.00 -0.69 -0.41 120.51 123.18 2pni n ALA 39 Ca 0.00 0.85 0.04 0.00 0.00 0.00 0.00 53.44 54.34 2pni n ALA 39 Cb 0.07 -1.08 -0.06 0.00 0.00 0.00 0.00 19.45 18.38 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 -4.64 0.20 -0.03 0.00 4.32 -1.16 -5.00 117.00 110.69 2pni n LEU 40 Ca 0.41 -0.24 0.00 0.00 -0.02 0.00 0.00 56.01 56.16 2pni n LEU 40 Cb 1.64 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 43.44 2pni n LEU 40 CO 0.21 0.05 0.00 0.61 -1.22 0.00 0.00 177.39 177.04 2pni n GLY 41 N 1.61 1.07 3.64 -0.72 0.00 0.45 -5.06 105.19 106.17 2pni n GLY 41 Ca -0.00 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 2pni n GLY 41 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pni n PHE 42 N -2.54 1.09 -2.75 1.61 3.72 -1.25 -4.97 117.46 112.36 2pni n PHE 42 Ca 0.00 0.44 0.01 0.00 -0.05 0.00 0.00 57.45 57.85 2pni n PHE 42 Cb 0.28 -2.18 0.04 0.00 -0.94 0.00 0.00 39.48 36.69 2pni n PHE 42 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2pni n SER 43 N -0.77 1.49 0.01 4.37 2.88 -1.26 -4.80 113.62 115.54 2pni n SER 43 Ca 0.13 -2.04 0.00 0.00 -1.33 0.00 0.00 58.87 55.63 2pni n SER 43 Cb 0.46 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 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 -0.37 -0.07 -2.08 -3.46 2.03 -1.26 -5.12 116.55 106.22 2pni n ASP 44 Ca 0.07 0.04 -0.01 0.00 0.52 0.00 0.00 54.79 55.41 2pni n ASP 44 Cb 0.88 0.20 0.00 0.00 -0.72 0.00 0.00 41.12 41.48 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 0.74 -3.04 1.53 0.27 0.00 -1.26 -5.04 105.19 98.39 2pni n GLY 45 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 0.19 0.00 -4.18 1.61 1.13 -1.26 -5.04 117.38 109.83 2pni n GLN 46 Ca 0.01 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.72 2pni n GLN 46 Cb 0.04 -0.22 -0.02 0.00 0.11 0.00 0.00 30.24 30.15 2pni n GLN 46 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2pni n GLU 47 N -3.41 -3.49 0.00 -1.09 1.02 -1.26 -4.74 120.64 107.67 2pni n GLU 47 Ca 0.00 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 2pni n GLU 47 Cb 0.00 -5.13 0.00 0.00 -0.02 0.00 0.00 31.44 26.29 2pni n GLU 47 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pni n ALA 48 N -4.43 0.06 -3.31 0.62 0.00 -1.26 -4.88 120.51 107.31 2pni n ALA 48 Ca 0.06 -0.01 -0.26 0.00 0.00 0.00 0.00 53.44 53.23 2pni n ALA 48 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.88 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 1.74 0.00 0.00 5.02 -1.26 -4.90 118.16 118.76 2pni n LYS 49 Ca 0.00 -4.03 0.01 0.00 -2.02 0.00 0.00 58.31 52.26 2pni n LYS 49 Cb 0.26 -1.80 0.04 0.00 -0.02 0.00 0.00 35.03 33.51 2pni n LYS 49 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2pni n PRO 50 N 1.06 0.02 -0.03 1.97 -0.05 -1.26 -2.49 135.00 134.22 2pni n PRO 50 Ca 0.26 0.23 -0.15 0.00 -0.05 0.00 0.00 63.50 63.79 2pni n PRO 50 Cb 0.46 -1.50 -0.09 0.00 -0.05 0.00 0.00 33.50 32.32 2pni n PRO 50 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 175.50 176.38 2pni h GLU 51 N 0.00 0.36 0.00 0.54 5.08 -1.92 -3.31 114.58 115.33 2pni h GLU 51 Ca 0.00 -0.30 -0.28 0.00 -1.00 0.00 0.00 59.36 57.79 2pni h GLU 51 Cb 0.01 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 2pni h GLU 51 CO 0.00 0.94 -1.80 -0.85 -1.00 0.00 0.00 179.01 176.30 2pni n GLU 52 N -4.39 0.64 -2.02 2.33 0.28 -1.04 -4.90 120.64 111.54 2pni n GLU 52 Ca -0.08 0.21 -0.39 0.00 -0.16 0.00 0.00 57.16 56.73 2pni n GLU 52 Cb 0.52 -1.73 0.00 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 -2.66 2.55 0.00 3.84 1.01 -1.12 -5.01 121.20 119.80 2pni s ILE 53 Ca -0.05 0.47 0.00 0.00 0.00 0.00 0.00 60.65 61.07 2pni s ILE 53 Cb 0.08 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.28 2pni s ILE 53 CO 0.83 0.06 0.00 0.61 0.00 0.00 0.00 174.94 176.43 2pni n GLY 54 N 0.64 1.00 3.84 6.18 0.00 -1.26 -4.46 105.19 111.13 2pni n GLY 54 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 0.47 3.62 -0.09 1.61 0.52 -1.26 -1.82 118.94 121.98 2pni s TRP 55 Ca 0.00 1.12 0.04 0.00 0.02 0.00 0.00 56.10 57.27 2pni s TRP 55 Cb 0.00 -2.41 0.00 0.00 -1.15 0.00 0.00 33.47 29.91 2pni s TRP 55 CO 0.00 0.43 -0.21 -0.51 0.02 0.00 0.00 176.95 176.68 2pni s LEU 56 N -1.91 1.96 -0.23 2.99 1.02 -0.72 -4.92 118.68 116.87 2pni s LEU 56 Ca 0.38 -0.48 -0.19 0.00 0.02 0.00 0.00 54.13 53.86 2pni s LEU 56 Cb -0.15 -1.24 -0.03 0.00 0.02 0.00 0.00 46.19 44.79 2pni s LEU 56 CO 0.19 0.13 0.55 0.20 0.02 0.00 0.00 176.35 177.44 2pni s ASN 57 N 0.42 6.53 0.33 2.29 0.02 -1.26 -1.48 114.94 121.79 2pni s ASN 57 Ca -0.17 0.64 -0.02 0.00 -1.02 0.00 0.00 52.86 52.28 2pni s ASN 57 Cb -0.17 -2.30 -0.00 0.00 0.02 0.00 0.00 41.25 38.79 2pni s ASN 57 CO 0.07 -0.27 0.45 -0.83 0.02 0.00 0.00 177.10 176.54 2pni s GLY 58 N 1.37 1.49 -0.24 0.66 0.00 -0.81 -4.76 107.32 105.03 2pni s GLY 58 Ca 0.24 -1.53 -0.10 0.00 0.00 0.00 0.00 44.72 43.33 2pni s GLY 58 CO 0.09 -1.03 0.14 -0.19 0.00 0.00 0.00 173.10 172.11 2pni s TYR 59 N -3.18 3.24 -1.19 1.90 2.02 -0.21 -2.36 117.35 117.57 2pni s TYR 59 Ca 0.31 0.06 -0.14 0.00 -0.37 0.00 0.00 57.07 56.93 2pni s TYR 59 Cb 0.00 -2.26 0.17 0.00 -0.40 0.00 0.00 41.96 39.47 2pni s TYR 59 CO 0.20 -0.05 1.42 1.21 -1.57 0.00 0.00 175.55 176.76 2pni s ASN 60 N 1.23 7.04 0.60 2.29 2.47 0.06 -1.90 114.94 126.73 2pni s ASN 60 Ca 0.06 -2.93 0.28 0.00 0.42 0.00 0.00 52.86 50.69 2pni s ASN 60 Cb -0.14 -2.40 1.34 0.00 -1.45 0.00 0.00 41.25 38.59 2pni s ASN 60 CO 0.05 -0.77 1.75 -0.33 -3.72 0.00 0.00 177.10 174.08 2pni h GLU 61 N 7.26 0.00 -0.90 0.43 5.08 -1.77 -1.09 114.58 123.60 2pni h GLU 61 Ca 0.31 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.81 2pni h GLU 61 Cb 0.88 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.04 2pni h GLU 61 CO 1.24 0.00 0.51 1.15 -1.00 0.00 0.00 179.01 180.92 2pni h THR 62 N 0.00 0.80 -0.01 1.13 2.02 -1.88 -2.04 112.91 112.93 2pni h THR 62 Ca 0.25 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.17 2pni h THR 62 Cb 1.53 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 2pni h THR 62 CO -0.00 0.14 0.00 0.35 0.37 0.00 0.00 175.52 176.38 2pni n THR 63 N -4.77 0.63 -3.08 3.16 -2.24 -0.96 -5.02 114.28 101.99 2pni n THR 63 Ca 0.18 -0.82 -0.13 0.00 -2.27 0.00 0.00 64.05 61.01 2pni n THR 63 Cb 0.41 0.69 0.06 0.00 -2.10 0.00 0.00 70.33 69.39 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 -0.26 -0.98 3.10 3.38 0.00 -0.47 -5.04 105.19 104.93 2pni n GLY 64 Ca 0.01 0.51 -0.08 0.00 0.00 0.00 0.00 46.02 46.46 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 -4.24 0.66 -0.03 1.61 2.02 -0.86 -4.98 118.70 112.87 2pni s GLU 65 Ca 0.41 -1.25 0.05 0.00 0.02 0.00 0.00 54.97 54.20 2pni s GLU 65 Cb -0.05 0.19 -0.02 0.00 0.10 0.00 0.00 34.13 34.34 2pni s GLU 65 CO 0.67 -0.12 -0.18 0.50 0.02 0.00 0.00 175.26 176.14 2pni s ARG 66 N -3.93 2.34 0.00 1.61 3.52 -1.26 -0.76 118.95 120.47 2pni s ARG 66 Ca 0.09 -0.79 0.00 0.00 -0.13 0.00 0.00 55.73 54.90 2pni s ARG 66 Cb 0.08 -2.25 0.00 0.00 -1.56 0.00 0.00 34.95 31.22 2pni s ARG 66 CO -0.08 0.60 0.00 0.41 -0.81 0.00 0.00 175.30 175.42 2pni n GLY 67 N 2.31 -0.66 3.84 8.12 0.00 -0.99 -4.84 105.19 112.97 2pni n GLY 67 Ca -0.17 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.15 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 5.13 -0.16 1.61 1.11 -0.66 -1.92 116.67 117.79 2pni s ASP 68 Ca 0.00 -0.61 -0.28 0.00 0.18 0.00 0.00 52.55 51.84 2pni s ASP 68 Cb 0.00 -0.83 0.08 0.00 1.07 0.00 0.00 42.92 43.24 2pni s ASP 68 CO 0.00 -0.43 0.77 0.72 1.18 0.00 0.00 175.17 177.41 2pni s PHE 69 N -2.37 -0.65 0.68 4.23 -0.71 -0.55 -4.20 117.98 114.42 2pni s PHE 69 Ca 0.42 1.34 -0.15 0.00 -1.04 0.00 0.00 56.93 57.50 2pni s PHE 69 Cb -0.04 0.36 0.01 0.00 -1.21 0.00 0.00 43.02 42.14 2pni s PHE 69 CO 0.26 -0.46 1.16 -1.25 -1.34 0.00 0.00 175.22 173.59 2pni s PRO 70 N -0.50 2.53 0.22 1.99 0.04 -1.26 -1.75 135.00 136.26 2pni s PRO 70 Ca -0.05 1.59 0.24 0.00 0.04 0.00 0.00 61.00 62.82 2pni s PRO 70 Cb -0.02 -1.90 0.38 0.00 0.04 0.00 0.00 34.50 33.00 2pni s PRO 70 CO 0.04 -1.49 1.43 0.78 0.04 0.00 0.00 177.00 177.79 2pni h GLY 71 N -0.02 0.00 2.00 0.56 0.00 -1.58 -3.24 103.07 100.79 2pni h GLY 71 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2pni h GLY 71 CO 0.52 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.76 2pni n THR 72 N -2.44 0.65 0.42 4.70 -2.24 -1.24 -3.47 114.28 110.66 2pni n THR 72 Ca 0.03 -0.05 0.10 0.00 -2.27 0.00 0.00 64.05 61.87 2pni n THR 72 Cb 0.48 -0.81 0.15 0.00 -2.10 0.00 0.00 70.33 68.05 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 -2.16 0.30 -4.32 4.78 4.02 -1.22 -4.98 117.16 113.59 2pni n TYR 73 Ca 0.04 -0.18 -0.19 0.00 -0.01 0.00 0.00 57.90 57.56 2pni n TYR 73 Cb 0.34 -0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.59 2pni n TYR 73 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 2pni n VAL 74 N 1.20 0.00 -3.46 -0.72 0.24 -1.23 -1.68 118.33 112.68 2pni n VAL 74 Ca 0.15 -2.15 -0.14 0.00 -2.04 0.00 0.00 64.34 60.16 2pni n VAL 74 Cb 0.53 0.97 -0.11 0.00 -1.47 0.00 0.00 33.84 33.76 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 -3.26 0.25 0.33 7.34 2.12 0.94 -4.69 118.70 121.72 2pni s GLU 75 Ca 0.30 0.41 -0.27 0.00 0.36 0.00 0.00 54.97 55.76 2pni s GLU 75 Cb 0.01 -0.77 -0.13 0.00 0.26 0.00 0.00 34.13 33.50 2pni s GLU 75 CO 0.21 -0.60 1.04 0.98 -0.54 0.00 0.00 175.26 176.35 2pni n TYR 76 N 5.34 1.35 0.03 5.30 9.36 -1.26 -0.46 117.16 136.81 2pni n TYR 76 Ca -0.05 0.65 -0.01 0.00 3.32 0.00 0.00 57.90 61.81 2pni n TYR 76 Cb 0.50 -2.26 -0.00 0.00 -0.63 0.00 0.00 39.34 36.94 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 0.06 0.84 -3.65 2.97 -5.35 -1.05 -4.83 119.36 108.36 2pni n ILE 77 Ca 0.09 0.25 -0.15 0.00 -0.27 0.00 0.00 62.75 62.66 2pni n ILE 77 Cb 0.34 -1.59 -0.08 0.00 -1.74 0.00 0.00 39.64 36.58 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 -4.39 -0.38 -0.08 3.28 0.00 -1.24 -5.05 107.32 99.46 2pni s GLY 78 Ca -0.02 1.00 0.01 0.00 0.00 0.00 0.00 44.72 45.71 2pni s GLY 78 CO 0.02 0.73 -0.07 1.09 0.00 0.00 0.00 173.10 174.87 2pni s ARG 79 N -0.91 1.33 0.21 2.90 1.04 -1.26 -1.60 118.95 120.66 2pni s ARG 79 Ca -0.09 -0.23 -0.30 0.00 -1.04 0.00 0.00 55.73 54.07 2pni s ARG 79 Cb -0.03 -1.31 -0.08 0.00 -2.04 0.00 0.00 34.95 31.49 2pni s ARG 79 CO 0.06 -0.14 1.00 0.15 -0.04 0.00 0.00 175.30 176.33 2pni s LYS 80 N 1.26 4.74 -1.17 3.89 1.02 -1.26 -4.94 119.74 123.28 2pni s LYS 80 Ca -0.04 1.58 -0.20 0.00 0.02 0.00 0.00 55.97 57.33 2pni s LYS 80 Cb -0.14 -3.28 -0.04 0.00 -0.52 0.00 0.00 37.83 33.84 2pni s LYS 80 CO -0.03 0.32 1.90 1.63 -0.92 0.00 0.00 175.35 178.26 2pni n LYS 81 N 1.85 2.15 -3.12 1.68 5.02 -1.26 -4.87 118.16 119.61 2pni n LYS 81 Ca -0.00 -2.60 -0.45 0.00 -2.02 0.00 0.00 58.31 53.23 2pni n LYS 81 Cb 0.47 -3.49 -0.03 0.00 -0.02 0.00 0.00 35.03 31.97 2pni n LYS 81 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2pni s ILE 82 N 7.38 5.12 0.26 -0.18 1.01 -1.26 -5.01 121.20 128.52 2pni s ILE 82 Ca 0.60 -1.89 0.11 0.00 0.00 0.00 0.00 60.65 59.48 2pni s ILE 82 Cb 0.05 -4.61 -0.05 0.00 0.01 0.00 0.00 42.46 37.86 2pni s ILE 82 CO 0.10 -1.26 -0.20 -0.94 0.00 0.00 0.00 174.94 172.64 2pni s SER 83 N 3.00 3.46 0.00 3.58 1.04 -1.26 -4.63 113.70 118.90 2pni s SER 83 Ca 0.24 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.66 2pni s SER 83 Cb -0.09 -0.28 0.00 0.00 0.10 0.00 0.00 66.02 65.75 2pni s SER 83 CO -0.07 0.03 0.42 -0.81 0.98 0.00 0.00 173.24 173.78