#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpn n GLY 2 N 0.00 3.40 3.16 3.03 0.00 -1.26 -4.98 105.19 108.53 2kpn n GLY 2 Ca 0.00 -0.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.67 2kpn n GLY 2 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kpn s ASN 3 N 0.00 5.46 0.00 1.61 -0.87 -1.26 -5.05 114.94 114.83 2kpn s ASN 3 Ca 0.00 -2.11 0.00 0.00 -1.57 0.00 0.00 52.86 49.18 2kpn s ASN 3 Cb 0.00 -1.91 0.00 0.00 -0.02 0.00 0.00 41.25 39.32 2kpn s ASN 3 CO 0.00 -0.58 0.00 0.61 -2.57 0.00 0.00 177.10 174.56 2kpn n GLY 4 N 4.55 2.03 2.56 0.66 0.00 -1.26 -4.91 105.19 108.82 2kpn n GLY 4 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 2kpn n GLY 4 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kpn n GLU 5 N 0.00 -1.26 -2.62 1.61 1.02 -1.26 -4.94 120.64 113.20 2kpn n GLU 5 Ca 0.00 0.90 -0.41 0.00 -0.02 0.00 0.00 57.16 57.62 2kpn n GLU 5 Cb 0.00 -5.09 -0.03 0.00 -0.02 0.00 0.00 31.44 26.30 2kpn n GLU 5 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2kpn s THR 6 N -2.24 4.00 0.24 2.62 -4.23 -1.26 -4.98 115.64 109.78 2kpn s THR 6 Ca 0.00 -0.64 -0.31 0.00 -1.18 0.00 0.00 61.69 59.55 2kpn s THR 6 Cb 0.00 -4.99 -0.13 0.00 1.34 0.00 0.00 72.50 68.72 2kpn s THR 6 CO 0.00 -1.85 1.44 -0.24 -0.54 0.00 0.00 174.62 173.43 2kpn n SER 7 N 8.64 2.90 -4.68 3.99 2.88 -1.26 -4.92 113.62 121.17 2kpn n SER 7 Ca 0.25 1.14 -0.43 0.00 -1.33 0.00 0.00 58.87 58.50 2kpn n SER 7 Cb 0.50 -1.44 -0.02 0.00 -0.75 0.00 0.00 64.21 62.49 2kpn n SER 7 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2kpn s ASP 8 N 0.38 6.98 -0.06 -3.46 2.15 -1.26 -5.02 116.67 116.37 2kpn s ASP 8 Ca 0.69 1.81 -0.13 0.00 0.43 0.00 0.00 52.55 55.35 2kpn s ASP 8 Cb -0.64 -2.55 -0.05 0.00 -0.30 0.00 0.00 42.92 39.38 2kpn s ASP 8 CO 0.48 -0.68 0.32 -0.76 -0.17 0.00 0.00 175.17 174.37 2kpn s LEU 9 N 2.81 4.41 0.30 -1.34 1.43 -1.26 -5.09 118.68 119.94 2kpn s LEU 9 Ca 0.57 0.76 -0.28 0.00 -1.03 0.00 0.00 54.13 54.15 2kpn s LEU 9 Cb -0.24 -2.42 -0.09 0.00 0.03 0.00 0.00 46.19 43.46 2kpn s LEU 9 CO 0.20 0.30 0.99 -1.83 0.23 0.00 0.00 176.35 176.23 2kpn s GLU 10 N -0.76 4.63 0.49 1.70 1.03 -1.26 -4.92 118.70 119.62 2kpn s GLU 10 Ca 0.20 1.49 -0.24 0.00 0.03 0.00 0.00 54.97 56.46 2kpn s GLU 10 Cb -0.15 -3.00 -0.07 0.00 -0.80 0.00 0.00 34.13 30.12 2kpn s GLU 10 CO 0.09 0.29 1.40 -2.30 -1.33 0.00 0.00 175.26 173.41 2kpn n PRO 11 N 0.90 2.00 -2.64 -4.83 -0.02 -1.26 -4.93 135.00 124.22 2kpn n PRO 11 Ca 0.00 0.72 -0.42 0.00 -2.02 0.00 0.00 63.50 61.79 2kpn n PRO 11 Cb 0.48 -2.60 -0.03 0.00 -0.02 0.00 0.00 33.50 31.33 2kpn n PRO 11 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2kpn s LYS 12 N -2.63 3.28 -0.52 -0.52 2.47 0.83 -4.89 119.74 117.75 2kpn s LYS 12 Ca 0.66 -0.64 -0.22 0.00 -1.56 0.00 0.00 55.97 54.21 2kpn s LYS 12 Cb -0.44 -4.47 0.05 0.00 -1.46 0.00 0.00 37.83 31.51 2kpn s LYS 12 CO 0.54 -2.07 0.78 -1.17 0.16 0.00 0.00 175.35 173.59 2kpn s LEU 13 N 5.04 4.52 -0.45 5.43 2.96 -1.26 -1.05 118.68 133.88 2kpn s LEU 13 Ca 0.34 -0.61 -0.23 0.00 -0.22 0.00 0.00 54.13 53.42 2kpn s LEU 13 Cb -0.08 -2.65 0.02 0.00 0.50 0.00 0.00 46.19 43.98 2kpn s LEU 13 CO 0.07 -1.05 0.78 -0.89 -1.32 0.00 0.00 176.35 173.94 2kpn s THR 14 N 3.29 4.66 -0.05 3.68 2.01 0.12 -4.94 115.64 124.40 2kpn s THR 14 Ca 0.23 0.43 0.02 0.00 0.31 0.00 0.00 61.69 62.69 2kpn s THR 14 Cb -0.16 -4.31 0.01 0.00 0.01 0.00 0.00 72.50 68.05 2kpn s THR 14 CO 0.16 -0.70 -0.11 -0.69 -0.69 0.00 0.00 174.62 172.58 2kpn s VAL 15 N 3.26 1.05 -0.00 3.82 1.01 -1.26 -1.53 120.40 126.74 2kpn s VAL 15 Ca 0.30 -0.45 -0.30 0.00 0.00 0.00 0.00 61.98 61.52 2kpn s VAL 15 Cb -0.12 -0.95 -0.06 0.00 0.00 0.00 0.00 36.38 35.25 2kpn s VAL 15 CO 0.22 0.33 1.49 -2.16 0.00 0.00 0.00 175.10 174.98 2kpn s PRO 16 N 0.52 4.24 0.46 2.72 0.04 -1.26 -4.91 135.00 136.81 2kpn s PRO 16 Ca -0.11 2.06 0.16 0.00 0.04 0.00 0.00 61.00 63.15 2kpn s PRO 16 Cb -0.14 -3.66 1.06 0.00 0.04 0.00 0.00 34.50 31.80 2kpn s PRO 16 CO 0.03 -0.66 2.01 -0.24 0.04 0.00 0.00 177.00 178.17 2kpn h VAL 17 N 5.04 1.07 -2.83 -0.36 3.04 -1.95 -3.39 116.25 116.87 2kpn h VAL 17 Ca -0.38 -0.59 -0.12 0.00 -1.01 0.00 0.00 66.70 64.60 2kpn h VAL 17 Cb 1.18 1.32 -0.23 0.00 -2.01 0.00 0.00 31.29 31.55 2kpn h VAL 17 CO 0.92 0.16 -0.24 -0.83 -1.01 0.00 0.00 177.57 176.57 2kpn s GLY 18 N -4.18 -0.26 -0.08 3.17 0.00 -1.26 -1.32 107.32 103.39 2kpn s GLY 18 Ca -0.04 0.85 -0.12 0.00 0.00 0.00 0.00 44.72 45.41 2kpn s GLY 18 CO 0.68 0.67 0.30 0.00 0.00 0.00 0.00 173.10 174.75 2kpn s ALA 19 N -0.39 -0.74 -0.05 3.20 0.00 0.15 -4.91 121.76 119.01 2kpn s ALA 19 Ca -0.05 0.63 0.02 0.00 0.00 0.00 0.00 51.96 52.56 2kpn s ALA 19 Cb -0.03 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.82 2kpn s ALA 19 CO 0.02 -0.19 -0.11 0.99 0.00 0.00 0.00 175.76 176.48 2kpn s THR 20 N -0.42 1.00 0.35 0.00 2.01 -1.26 0.02 115.64 117.34 2kpn s THR 20 Ca -0.05 -0.41 0.04 0.00 0.31 0.00 0.00 61.69 61.58 2kpn s THR 20 Cb -0.04 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.53 2kpn s THR 20 CO 0.02 0.32 0.16 0.27 -0.69 0.00 0.00 174.62 174.70 2kpn s ILE 21 N 0.61 0.42 0.26 1.82 -4.36 -0.02 -4.95 121.20 114.99 2kpn s ILE 21 Ca -0.12 -2.00 0.11 0.00 -0.26 0.00 0.00 60.65 58.38 2kpn s ILE 21 Cb -0.14 -2.45 -0.05 0.00 1.25 0.00 0.00 42.46 41.07 2kpn s ILE 21 CO 0.03 0.00 -0.17 -1.00 0.24 0.00 0.00 174.94 174.03 2kpn s HIS 22 N -3.40 2.37 -0.17 1.37 3.76 -1.26 -0.47 115.29 117.49 2kpn s HIS 22 Ca 0.31 -0.31 -0.28 0.00 -0.15 0.00 0.00 55.06 54.63 2kpn s HIS 22 Cb 0.04 -1.06 -0.06 0.00 1.11 0.00 0.00 32.58 32.61 2kpn s HIS 22 CO 0.18 0.66 2.15 0.08 -0.85 0.00 0.00 174.74 176.96 2kpn s VAL 23 N -2.31 3.03 0.00 -0.90 1.01 -0.25 -1.14 120.40 119.83 2kpn s VAL 23 Ca 0.29 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.30 2kpn s VAL 23 Cb -0.06 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.29 2kpn s VAL 23 CO 0.15 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.84 2kpn n GLY 24 N 5.50 2.07 0.81 4.51 0.00 -0.11 -4.84 105.19 113.14 2kpn n GLY 24 Ca 0.28 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.23 2kpn n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kpn n ASP 25 N 0.00 -0.74 -4.25 1.61 9.92 -0.29 -5.11 116.55 117.69 2kpn n ASP 25 Ca 0.00 -0.83 -0.18 0.00 -0.53 0.00 0.00 54.79 53.25 2kpn n ASP 25 Cb 0.00 -0.22 -0.11 0.00 -0.64 0.00 0.00 41.12 40.14 2kpn n ASP 25 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2kpn s SER 26 N -2.13 2.06 -0.29 -2.24 0.01 -1.26 -4.92 113.70 104.92 2kpn s SER 26 Ca 0.16 -0.83 -0.10 0.00 1.31 0.00 0.00 55.95 56.49 2kpn s SER 26 Cb -0.01 -0.07 0.12 0.00 0.21 0.00 0.00 66.02 66.27 2kpn s SER 26 CO 0.12 -0.15 0.63 0.12 0.41 0.00 0.00 173.24 174.37 2kpn s PHE 27 N -2.22 -1.28 -0.30 2.43 5.36 -1.26 -5.04 117.98 115.66 2kpn s PHE 27 Ca 0.10 2.25 -0.02 0.00 -0.96 0.00 0.00 56.93 58.30 2kpn s PHE 27 Cb -0.04 0.75 0.05 0.00 -0.34 0.00 0.00 43.02 43.44 2kpn s PHE 27 CO 0.03 -0.65 0.01 0.08 -1.46 0.00 0.00 175.22 173.24 2kpn s VAL 28 N 2.83 3.10 0.35 3.12 1.01 -1.26 -5.01 120.40 124.53 2kpn s VAL 28 Ca -0.06 -1.34 0.04 0.00 0.00 0.00 0.00 61.98 60.63 2kpn s VAL 28 Cb -0.12 -2.77 0.28 0.00 0.00 0.00 0.00 36.38 33.77 2kpn s VAL 28 CO -0.18 -0.11 1.96 1.55 0.00 0.00 0.00 175.10 178.32 2kpn h PRO 29 N 8.03 0.82 0.00 2.72 0.13 -1.99 -1.87 132.00 139.83 2kpn h PRO 29 Ca -0.22 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2kpn h PRO 29 Cb 1.07 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2kpn h PRO 29 CO 0.54 0.54 0.00 -1.33 -0.23 0.00 0.00 178.00 177.52 2kpn n MET 30 N -4.47 0.10 -0.01 0.86 2.81 -1.26 -2.18 117.12 112.97 2kpn n MET 30 Ca 0.10 0.10 -0.12 0.00 -1.81 0.00 0.00 57.70 55.97 2kpn n MET 30 Cb 0.18 -1.62 -0.14 0.00 -0.71 0.00 0.00 33.22 30.93 2kpn n MET 30 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kpn h ALA 31 N 2.79 0.66 0.00 3.04 0.00 -1.78 -3.36 119.26 120.61 2kpn h ALA 31 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 54.91 53.49 2kpn h ALA 31 Cb 0.57 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2kpn h ALA 31 CO 0.00 1.49 -0.42 0.93 0.00 0.00 0.00 179.25 181.26 2kpn h GLU 32 N 0.02 0.00 -5.48 0.00 4.39 -1.43 -3.46 114.58 108.62 2kpn h GLU 32 Ca -0.31 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 58.72 2kpn h GLU 32 Cb 2.01 0.00 -0.29 0.00 -0.10 0.00 0.00 28.75 30.37 2kpn h GLU 32 CO 0.09 0.00 -0.82 0.08 -1.16 0.00 0.00 179.01 177.20 2kpn s VAL 33 N -3.21 2.60 0.31 3.13 1.01 -0.93 -4.45 120.40 118.86 2kpn s VAL 33 Ca 0.06 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.26 2kpn s VAL 33 Cb 0.10 -2.04 -0.06 0.00 0.00 0.00 0.00 36.38 34.37 2kpn s VAL 33 CO 0.70 0.55 -0.02 -0.76 0.00 0.00 0.00 175.10 175.56 2kpn s LEU 34 N 0.20 2.46 -0.15 3.92 1.02 -0.58 -4.76 118.68 120.79 2kpn s LEU 34 Ca -0.11 -1.26 -0.06 0.00 0.02 0.00 0.00 54.13 52.72 2kpn s LEU 34 Cb -0.16 -0.62 0.07 0.00 0.02 0.00 0.00 46.19 45.50 2kpn s LEU 34 CO 0.06 -0.41 0.33 0.00 0.02 0.00 0.00 176.35 176.34 2kpn s ALA 35 N -3.03 -0.79 -0.04 4.21 0.00 -1.26 0.11 121.76 120.95 2kpn s ALA 35 Ca 0.32 1.19 0.02 0.00 0.00 0.00 0.00 51.96 53.48 2kpn s ALA 35 Cb 0.06 -1.04 0.01 0.00 0.00 0.00 0.00 23.12 22.15 2kpn s ALA 35 CO 0.14 -0.56 -0.07 0.42 0.00 0.00 0.00 175.76 175.68 2kpn s ILE 36 N 2.18 0.68 -0.15 0.00 -1.09 -0.21 -0.28 121.20 122.34 2kpn s ILE 36 Ca -0.03 -0.24 -0.02 0.00 -2.23 0.00 0.00 60.65 58.13 2kpn s ILE 36 Cb -0.11 -0.66 -0.02 0.00 -1.58 0.00 0.00 42.46 40.09 2kpn s ILE 36 CO -0.10 0.24 -0.08 -0.62 -1.23 0.00 0.00 174.94 173.16 2kpn s ASP 37 N 0.64 4.43 0.55 3.58 -1.08 0.17 -0.12 116.67 124.85 2kpn s ASP 37 Ca -0.10 -0.23 0.24 0.00 -0.52 0.00 0.00 52.55 51.94 2kpn s ASP 37 Cb -0.13 -1.71 1.49 0.00 -1.46 0.00 0.00 42.92 41.11 2kpn s ASP 37 CO 0.01 0.15 2.11 0.50 0.52 0.00 0.00 175.17 178.46 2kpn h LYS 38 N 6.83 0.00 0.12 4.34 3.64 -1.92 0.33 116.57 129.92 2kpn h LYS 38 Ca -0.30 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 58.86 2kpn h LYS 38 Cb 1.20 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.03 2kpn h LYS 38 CO 0.60 0.00 -1.07 1.05 -2.27 0.00 0.00 179.45 177.76 2kpn h GLU 39 N 0.00 0.26 0.01 1.90 4.11 -1.95 -3.42 114.58 115.49 2kpn h GLU 39 Ca 0.09 -0.44 -0.36 0.00 0.07 0.00 0.00 59.36 58.72 2kpn h GLU 39 Cb 0.40 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 2kpn h GLU 39 CO -0.00 1.21 -1.97 -3.47 0.07 0.00 0.00 179.01 174.85 2kpn n ASP 40 N -4.06 1.93 0.00 3.06 -0.08 -0.90 -5.11 116.55 111.39 2kpn n ASP 40 Ca -0.19 0.34 0.00 0.00 -1.51 0.00 0.00 54.79 53.43 2kpn n ASP 40 Cb 0.84 -0.86 0.00 0.00 2.34 0.00 0.00 41.12 43.44 2kpn n ASP 40 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kpn n GLY 41 N 1.43 0.13 3.65 0.27 0.00 0.11 -4.99 105.19 105.79 2kpn n GLY 41 Ca -0.43 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 43.51 2kpn n GLY 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kpn s ASP 42 N -4.00 6.67 -0.12 1.61 -1.08 -1.26 -0.66 116.67 117.83 2kpn s ASP 42 Ca 0.00 1.82 0.16 0.00 -0.52 0.00 0.00 52.55 54.01 2kpn s ASP 42 Cb 0.00 -2.53 0.34 0.00 -1.46 0.00 0.00 42.92 39.27 2kpn s ASP 42 CO 0.00 -0.98 1.23 0.18 0.52 0.00 0.00 175.17 176.12 2kpn n LEU 43 N 7.38 2.86 0.27 -1.34 4.77 0.62 -4.74 117.00 126.82 2kpn n LEU 43 Ca 0.16 -2.88 0.11 0.00 -0.03 0.00 0.00 56.01 53.38 2kpn n LEU 43 Cb 0.44 -0.41 0.75 0.00 -2.33 0.00 0.00 43.42 41.87 2kpn n LEU 43 CO 0.61 0.68 1.07 0.74 -1.33 0.00 0.00 177.39 179.16 2kpn h THR 44 N 0.74 0.78 0.00 -5.08 2.02 -1.67 0.44 112.91 110.13 2kpn h THR 44 Ca 0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.07 2kpn h THR 44 Cb 1.08 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 2kpn h THR 44 CO 0.07 0.03 0.00 -0.24 0.37 0.00 0.00 175.52 175.75 2kpn n SER 45 N -4.15 0.59 -0.64 4.18 2.88 -1.26 -3.07 113.62 112.15 2kpn n SER 45 Ca -0.03 0.57 0.08 0.00 -1.33 0.00 0.00 58.87 58.16 2kpn n SER 45 Cb 0.11 -0.72 0.25 0.00 -0.75 0.00 0.00 64.21 63.10 2kpn n SER 45 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2kpn n LYS 46 N -2.07 1.82 -3.04 -1.46 4.76 0.14 -4.92 118.16 113.39 2kpn n LYS 46 Ca 0.05 -1.26 -0.39 0.00 -2.87 0.00 0.00 58.31 53.84 2kpn n LYS 46 Cb 0.38 -1.34 -0.06 0.00 -1.84 0.00 0.00 35.03 32.18 2kpn n LYS 46 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2kpn s ILE 47 N -1.62 4.55 -0.10 -0.18 1.01 -1.18 -2.89 121.20 120.79 2kpn s ILE 47 Ca 0.28 1.58 -0.06 0.00 0.00 0.00 0.00 60.65 62.45 2kpn s ILE 47 Cb 0.15 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 2kpn s ILE 47 CO 0.21 0.49 0.14 -0.75 0.00 0.00 0.00 174.94 175.02 2kpn s LYS 48 N -0.82 3.41 -0.30 2.79 2.20 0.58 -4.94 119.74 122.65 2kpn s LYS 48 Ca 0.35 -0.17 -0.04 0.00 -0.36 0.00 0.00 55.97 55.74 2kpn s LYS 48 Cb -0.22 -3.15 0.03 0.00 -1.51 0.00 0.00 37.83 32.98 2kpn s LYS 48 CO 0.24 0.76 0.04 0.08 -0.36 0.00 0.00 175.35 176.11 2kpn s VAL 49 N -1.05 3.44 -0.11 4.02 1.01 -1.26 -2.30 120.40 124.15 2kpn s VAL 49 Ca 0.16 -1.05 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 2kpn s VAL 49 Cb -0.12 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 2kpn s VAL 49 CO 0.06 -0.01 0.02 -1.81 0.00 0.00 0.00 175.10 173.36 2kpn s ASP 50 N 1.38 5.35 0.00 3.32 1.11 0.52 -5.01 116.67 123.33 2kpn s ASP 50 Ca -0.01 0.14 0.00 0.00 0.18 0.00 0.00 52.55 52.86 2kpn s ASP 50 Cb -0.18 -1.62 0.00 0.00 1.07 0.00 0.00 42.92 42.19 2kpn s ASP 50 CO 0.00 0.34 0.00 0.61 1.18 0.00 0.00 175.17 177.30 2kpn n GLY 51 N 2.42 -3.48 3.57 0.21 0.00 -1.26 -1.11 105.19 105.54 2kpn n GLY 51 Ca -0.18 -2.13 -0.15 0.00 0.00 0.00 0.00 46.02 43.56 2kpn n GLY 51 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kpn s GLU 52 N -0.79 0.88 -0.19 1.61 2.12 -1.26 -4.99 118.70 116.07 2kpn s GLU 52 Ca 0.00 0.51 -0.00 0.00 0.36 0.00 0.00 54.97 55.84 2kpn s GLU 52 Cb 0.00 0.42 0.01 0.00 0.26 0.00 0.00 34.13 34.82 2kpn s GLU 52 CO 0.00 -0.22 -0.15 0.08 -0.54 0.00 0.00 175.26 174.43 2kpn s VAL 53 N -0.56 2.46 0.16 3.70 1.01 -1.26 -4.81 120.40 121.10 2kpn s VAL 53 Ca -0.05 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 60.82 2kpn s VAL 53 Cb -0.02 -2.06 -0.07 0.00 0.00 0.00 0.00 36.38 34.23 2kpn s VAL 53 CO 0.05 0.51 1.03 -1.81 0.00 0.00 0.00 175.10 174.87 2kpn s ASP 54 N 1.34 7.40 0.00 3.32 1.01 -1.26 -4.94 116.67 123.53 2kpn s ASP 54 Ca 0.05 1.97 0.25 0.00 0.71 0.00 0.00 52.55 55.52 2kpn s ASP 54 Cb -0.13 -2.60 0.33 0.00 1.01 0.00 0.00 42.92 41.53 2kpn s ASP 54 CO -0.10 -0.12 1.33 0.35 0.21 0.00 0.00 175.17 176.84 2kpn n THR 55 N 2.40 0.00 0.47 -1.27 -2.24 -1.26 -4.15 114.28 108.24 2kpn n THR 55 Ca 0.02 -0.38 0.08 0.00 -2.27 0.00 0.00 64.05 61.49 2kpn n THR 55 Cb 0.47 1.21 -0.10 0.00 -2.10 0.00 0.00 70.33 69.81 2kpn n THR 55 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2kpn n THR 56 N 0.73 0.00 -4.38 4.28 5.66 -1.26 -0.93 114.28 118.37 2kpn n THR 56 Ca 0.14 -0.22 -0.25 0.00 -3.05 0.00 0.00 64.05 60.68 2kpn n THR 56 Cb 0.51 0.70 -0.17 0.00 -1.55 0.00 0.00 70.33 69.83 2kpn n THR 56 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2kpn s LYS 57 N -2.68 1.58 0.40 1.09 2.20 -1.26 -5.00 119.74 116.07 2kpn s LYS 57 Ca 0.02 -0.35 -0.25 0.00 -0.36 0.00 0.00 55.97 55.04 2kpn s LYS 57 Cb 0.11 -1.39 -0.08 0.00 -1.51 0.00 0.00 37.83 34.95 2kpn s LYS 57 CO 0.64 -0.05 1.13 0.00 -0.36 0.00 0.00 175.35 176.71 2kpn s ALA 58 N 0.93 3.11 0.00 3.13 0.00 -1.26 -4.67 121.76 123.01 2kpn s ALA 58 Ca -0.10 0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.74 2kpn s ALA 58 Cb -0.15 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.63 2kpn s ALA 58 CO 0.01 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 175.74 2kpn n GLY 59 N 0.54 1.98 3.61 0.00 0.00 -0.67 -4.94 105.19 105.71 2kpn n GLY 59 Ca 0.05 -1.37 -0.37 0.00 0.00 0.00 0.00 46.02 44.32 2kpn n GLY 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kpn s THR 60 N -1.93 5.28 -0.07 2.61 2.01 -1.26 -0.39 115.64 121.90 2kpn s THR 60 Ca 0.00 0.16 0.05 0.00 0.31 0.00 0.00 61.69 62.21 2kpn s THR 60 Cb 0.00 -3.49 -0.01 0.00 0.01 0.00 0.00 72.50 69.01 2kpn s THR 60 CO 0.00 0.30 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.69 2kpn s TYR 61 N 1.44 2.50 -0.35 4.92 2.02 0.76 -4.97 117.35 123.67 2kpn s TYR 61 Ca 0.07 -0.68 -0.12 0.00 -0.37 0.00 0.00 57.07 55.96 2kpn s TYR 61 Cb -0.15 -1.63 -0.00 0.00 -0.40 0.00 0.00 41.96 39.78 2kpn s TYR 61 CO 0.08 -0.19 0.23 0.08 -1.57 0.00 0.00 175.55 174.18 2kpn s VAL 62 N -0.14 5.08 -0.14 0.71 1.01 -1.26 -0.93 120.40 124.73 2kpn s VAL 62 Ca -0.04 -0.40 -0.15 0.00 0.00 0.00 0.00 61.98 61.40 2kpn s VAL 62 Cb -0.14 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 2kpn s VAL 62 CO 0.04 -0.07 0.35 -0.76 0.00 0.00 0.00 175.10 174.66 2kpn s LEU 63 N 1.68 4.27 -0.11 3.92 1.43 -0.08 -4.69 118.68 125.10 2kpn s LEU 63 Ca 0.05 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 53.77 2kpn s LEU 63 Cb -0.18 -2.47 -0.02 0.00 0.03 0.00 0.00 46.19 43.56 2kpn s LEU 63 CO 0.09 0.09 -0.12 -0.89 0.23 0.00 0.00 176.35 175.76 2kpn s THR 64 N 0.38 3.19 -0.01 5.49 2.01 -0.27 -0.43 115.64 126.00 2kpn s THR 64 Ca 0.19 -0.63 0.06 0.00 0.31 0.00 0.00 61.69 61.63 2kpn s THR 64 Cb -0.14 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 70.03 2kpn s THR 64 CO 0.06 0.54 -0.20 -0.31 -0.69 0.00 0.00 174.62 174.02 2kpn s TYR 65 N 0.05 1.80 -0.04 4.92 2.02 0.26 -0.36 117.35 126.00 2kpn s TYR 65 Ca -0.04 -0.34 -0.02 0.00 -0.37 0.00 0.00 57.07 56.30 2kpn s TYR 65 Cb -0.14 -1.15 0.03 0.00 -0.40 0.00 0.00 41.96 40.30 2kpn s TYR 65 CO 0.04 -0.01 0.07 0.99 -1.57 0.00 0.00 175.55 175.07 2kpn s THR 66 N -0.52 -0.11 -0.03 -0.71 2.01 -0.97 -0.82 115.64 114.48 2kpn s THR 66 Ca 0.08 0.35 0.04 0.00 0.31 0.00 0.00 61.69 62.47 2kpn s THR 66 Cb -0.08 -0.15 -0.03 0.00 0.01 0.00 0.00 72.50 72.25 2kpn s THR 66 CO -0.00 0.14 -0.15 0.54 -0.69 0.00 0.00 174.62 174.46 2kpn s VAL 67 N 1.81 3.01 -0.02 3.82 0.11 -0.26 -0.31 120.40 128.55 2kpn s VAL 67 Ca -0.00 -0.81 -0.02 0.00 -2.93 0.00 0.00 61.98 58.22 2kpn s VAL 67 Cb -0.12 -2.19 -0.04 0.00 -1.53 0.00 0.00 36.38 32.50 2kpn s VAL 67 CO -0.04 0.55 0.12 -0.89 -3.33 0.00 0.00 175.10 171.51 2kpn s THR 68 N -0.77 5.05 0.09 5.04 2.01 -1.14 -1.93 115.64 123.99 2kpn s THR 68 Ca 0.12 -0.25 0.02 0.00 0.31 0.00 0.00 61.69 61.89 2kpn s THR 68 Cb -0.11 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 2kpn s THR 68 CO 0.01 0.38 0.13 -0.62 -0.69 0.00 0.00 174.62 173.84 2kpn s ASP 69 N -1.71 5.81 0.28 3.53 2.15 0.26 -4.87 116.67 122.12 2kpn s ASP 69 Ca 0.23 0.07 0.23 0.00 0.43 0.00 0.00 52.55 53.51 2kpn s ASP 69 Cb -0.12 -1.64 1.04 0.00 -0.30 0.00 0.00 42.92 41.90 2kpn s ASP 69 CO 0.14 0.15 1.68 -1.54 -0.17 0.00 0.00 175.17 175.44 2kpn n SER 70 N 0.27 0.62 -0.51 -0.34 3.41 -1.26 -1.78 113.62 114.03 2kpn n SER 70 Ca -0.07 0.70 0.08 0.00 -0.26 0.00 0.00 58.87 59.32 2kpn n SER 70 Cb 0.52 -0.81 0.03 0.00 -0.26 0.00 0.00 64.21 63.68 2kpn n SER 70 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2kpn n LYS 71 N -2.24 1.56 0.00 4.33 4.76 -1.26 -4.98 118.16 120.33 2kpn n LYS 71 Ca 0.01 -1.12 0.00 0.00 -2.87 0.00 0.00 58.31 54.32 2kpn n LYS 71 Cb 0.15 -1.31 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 2kpn n LYS 71 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kpn n GLY 72 N 1.09 1.38 3.77 0.72 0.00 -0.73 -5.12 105.19 106.30 2kpn n GLY 72 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 2kpn n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kpn s HIS 73 N -2.00 3.57 -0.17 1.61 3.76 -1.26 -4.90 115.29 115.91 2kpn s HIS 73 Ca 0.00 0.82 -0.02 0.00 -0.15 0.00 0.00 55.06 55.71 2kpn s HIS 73 Cb 0.00 -2.38 0.05 0.00 1.11 0.00 0.00 32.58 31.36 2kpn s HIS 73 CO 0.00 0.36 0.02 -2.00 -0.85 0.00 0.00 174.74 172.27 2kpn s GLU 74 N -0.02 0.72 0.27 1.40 2.12 -1.26 0.92 118.70 122.84 2kpn s GLU 74 Ca 0.22 -0.32 0.09 0.00 0.36 0.00 0.00 54.97 55.32 2kpn s GLU 74 Cb -0.15 -1.87 -0.04 0.00 0.26 0.00 0.00 34.13 32.33 2kpn s GLU 74 CO 0.09 -0.55 0.02 0.14 -0.54 0.00 0.00 175.26 174.42 2kpn s VAL 75 N 1.86 3.48 0.04 3.70 -7.23 -0.81 -4.94 120.40 116.49 2kpn s VAL 75 Ca 0.00 -1.86 0.02 0.00 -1.81 0.00 0.00 61.98 58.33 2kpn s VAL 75 Cb -0.16 -2.89 -0.02 0.00 0.56 0.00 0.00 36.38 33.86 2kpn s VAL 75 CO -0.07 -0.36 -0.07 0.28 -0.31 0.00 0.00 175.10 174.57 2kpn s THR 76 N -2.32 0.51 0.12 5.32 -1.32 -1.26 -1.11 115.64 115.57 2kpn s THR 76 Ca 0.32 -1.09 -0.09 0.00 -1.21 0.00 0.00 61.69 59.61 2kpn s THR 76 Cb -0.06 -0.62 -0.00 0.00 -1.51 0.00 0.00 72.50 70.31 2kpn s THR 76 CO 0.20 -0.41 0.24 0.00 -2.21 0.00 0.00 174.62 172.45 2kpn s ALA 77 N -1.46 -0.23 0.16 11.08 0.00 -0.00 -5.00 121.76 126.30 2kpn s ALA 77 Ca -0.10 -0.64 0.06 0.00 0.00 0.00 0.00 51.96 51.28 2kpn s ALA 77 Cb -0.09 0.62 -0.04 0.00 0.00 0.00 0.00 23.12 23.60 2kpn s ALA 77 CO 0.00 -0.56 -0.13 0.15 0.00 0.00 0.00 175.76 175.22 2kpn s LYS 78 N -3.89 1.14 -0.06 0.00 1.02 -1.26 -0.57 119.74 116.11 2kpn s LYS 78 Ca 0.08 -1.44 0.02 0.00 0.02 0.00 0.00 55.97 54.65 2kpn s LYS 78 Cb 0.04 -0.86 0.02 0.00 -0.52 0.00 0.00 37.83 36.50 2kpn s LYS 78 CO -0.08 0.14 -0.09 -1.14 -0.92 0.00 0.00 175.35 173.26 2kpn s GLN 79 N -3.42 1.38 -0.51 1.68 0.74 0.43 -4.50 119.66 115.47 2kpn s GLN 79 Ca 0.16 -0.29 -0.18 0.00 0.05 0.00 0.00 55.36 55.10 2kpn s GLN 79 Cb -0.01 -1.23 0.07 0.00 1.10 0.00 0.00 33.01 32.95 2kpn s GLN 79 CO 0.03 -0.04 0.57 0.99 -0.55 0.00 0.00 175.29 176.30 2kpn s THR 80 N 0.85 4.97 -0.06 -0.34 2.01 -0.44 -0.90 115.64 121.73 2kpn s THR 80 Ca -0.12 -0.76 -0.09 0.00 0.31 0.00 0.00 61.69 61.04 2kpn s THR 80 Cb -0.15 -4.28 -0.05 0.00 0.01 0.00 0.00 72.50 68.03 2kpn s THR 80 CO 0.01 -0.80 0.24 -0.69 -0.69 0.00 0.00 174.62 172.70 2kpn s VAL 81 N 2.34 5.34 -0.11 3.82 1.01 -0.11 -0.68 120.40 132.02 2kpn s VAL 81 Ca 0.11 0.38 -0.00 0.00 0.00 0.00 0.00 61.98 62.47 2kpn s VAL 81 Cb -0.22 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 32.67 2kpn s VAL 81 CO 0.09 0.56 -0.07 -0.89 0.00 0.00 0.00 175.10 174.79 2kpn s THR 82 N -1.09 0.97 -0.17 3.92 2.01 0.10 -0.17 115.64 121.21 2kpn s THR 82 Ca 0.20 -0.27 -0.10 0.00 0.31 0.00 0.00 61.69 61.84 2kpn s THR 82 Cb -0.14 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.33 2kpn s THR 82 CO 0.09 0.36 0.15 -0.69 -0.69 0.00 0.00 174.62 173.84 2kpn s VAL 83 N 1.65 5.42 0.14 3.82 1.01 0.48 -0.84 120.40 132.08 2kpn s VAL 83 Ca 0.03 0.24 0.10 0.00 0.00 0.00 0.00 61.98 62.36 2kpn s VAL 83 Cb -0.13 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 2kpn s VAL 83 CO -0.07 0.49 -0.23 -0.54 0.00 0.00 0.00 175.10 174.74 2kpn s LYS 84 N -0.05 1.34 -0.27 2.72 1.02 0.39 -1.67 119.74 123.23 2kpn s LYS 84 Ca 0.11 -1.36 -0.11 0.00 0.02 0.00 0.00 55.97 54.64 2kpn s LYS 84 Cb -0.12 -1.68 -0.05 0.00 -0.52 0.00 0.00 37.83 35.47 2kpn s LYS 84 CO 0.01 0.38 0.17 0.08 -0.92 0.00 0.00 175.35 175.07 2kpn s VAL 85 N -1.38 5.25 -0.23 3.17 1.01 -1.26 -1.10 120.40 125.86 2kpn s VAL 85 Ca 0.14 0.15 0.21 0.00 0.00 0.00 0.00 61.98 62.48 2kpn s VAL 85 Cb -0.09 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.81 2kpn s VAL 85 CO 0.07 0.28 1.06 0.08 0.00 0.00 0.00 175.10 176.59 2kpn h ARG 86 N 8.13 0.00 0.00 2.72 -0.00 -1.97 -3.48 114.38 119.78 2kpn h ARG 86 Ca -0.36 0.00 -0.19 0.00 -0.00 0.00 0.00 59.98 59.43 2kpn h ARG 86 Cb 1.18 0.00 0.04 0.00 -0.00 0.00 0.00 29.97 31.19 2kpn h ARG 86 CO 0.58 0.06 0.06 0.39 -0.00 0.00 0.00 179.97 181.05 2kpn n GLU 87 N -2.75 0.26 -3.66 0.08 1.02 -1.26 -5.14 120.64 109.18 2kpn n GLU 87 Ca -0.01 -1.13 -0.13 0.00 -0.02 0.00 0.00 57.16 55.87 2kpn n GLU 87 Cb 0.60 -0.30 -0.08 0.00 -0.02 0.00 0.00 31.44 31.64 2kpn n GLU 87 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2kpn s GLU 88 N -3.57 0.72 -0.15 3.49 -1.05 -1.26 -5.17 118.70 111.70 2kpn s GLU 88 Ca 0.28 0.92 -0.06 0.00 -0.15 0.00 0.00 54.97 55.96 2kpn s GLU 88 Cb -0.02 0.31 -0.04 0.00 -0.44 0.00 0.00 34.13 33.95 2kpn s GLU 88 CO 0.19 -0.10 0.07 0.54 0.95 0.00 0.00 175.26 176.91 2kpn s VAL 89 N 0.55 4.85 -0.19 1.83 0.11 -1.26 -4.99 120.40 121.30 2kpn s VAL 89 Ca -0.02 -0.02 0.05 0.00 -2.93 0.00 0.00 61.98 59.06 2kpn s VAL 89 Cb -0.05 -3.14 -0.21 0.00 -1.53 0.00 0.00 36.38 31.45 2kpn s VAL 89 CO -0.02 0.52 0.06 2.29 -3.33 0.00 0.00 175.10 174.61 2kpn n LYS 90 N 2.93 0.68 -3.86 1.54 2.85 -1.26 -4.82 118.16 116.22 2kpn n LYS 90 Ca -0.18 0.15 -0.36 0.00 -1.05 0.00 0.00 58.31 56.87 2kpn n LYS 90 Cb 0.53 -1.59 -0.13 0.00 -0.65 0.00 0.00 35.03 33.19 2kpn n LYS 90 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2kpn s ASN 91 N -6.32 5.03 -0.58 -5.58 -0.87 -1.26 -5.05 114.94 100.31 2kpn s ASN 91 Ca -0.23 -1.34 -0.29 0.00 -1.57 0.00 0.00 52.86 49.43 2kpn s ASN 91 Cb 0.08 -1.76 -0.12 0.00 -0.02 0.00 0.00 41.25 39.43 2kpn s ASN 91 CO 0.71 -0.31 2.44 -0.90 -2.57 0.00 0.00 177.10 176.48 2kpn n ASP 92 N 4.66 1.81 -4.71 -1.22 5.75 -1.26 -4.89 116.55 116.69 2kpn n ASP 92 Ca -0.12 -0.14 -0.40 0.00 -0.01 0.00 0.00 54.79 54.13 2kpn n ASP 92 Cb 0.43 -1.36 0.02 0.00 -1.03 0.00 0.00 41.12 39.19 2kpn n ASP 92 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2kpn n LYS 93 N 8.73 1.87 -2.14 0.11 5.02 -1.26 -4.91 118.16 125.58 2kpn n LYS 93 Ca 0.45 0.67 -0.33 0.00 -2.02 0.00 0.00 58.31 57.08 2kpn n LYS 93 Cb 0.35 -2.45 -0.04 0.00 -0.02 0.00 0.00 35.03 32.87 2kpn n LYS 93 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2kpn s PRO 94 N -2.43 2.73 -0.90 1.97 0.04 -1.26 -4.92 135.00 130.23 2kpn s PRO 94 Ca 0.64 -0.12 -0.25 0.00 0.04 0.00 0.00 61.00 61.32 2kpn s PRO 94 Cb -0.47 -4.84 -0.10 0.00 0.04 0.00 0.00 34.50 29.13 2kpn s PRO 94 CO 0.55 -2.98 2.13 0.42 0.04 0.00 0.00 177.00 177.17 2kpn s ILE 95 N 8.92 3.26 -0.73 0.56 1.01 -1.26 -4.90 121.20 128.06 2kpn s ILE 95 Ca 0.64 -0.26 -0.25 0.00 0.00 0.00 0.00 60.65 60.78 2kpn s ILE 95 Cb -0.08 -3.70 0.05 0.00 0.01 0.00 0.00 42.46 38.74 2kpn s ILE 95 CO 0.06 -0.54 1.17 -0.76 0.00 0.00 0.00 174.94 174.86 2kpn s LEU 96 N 12.45 3.68 0.00 2.97 1.43 -1.26 -5.28 118.68 132.67 2kpn s LEU 96 Ca 0.79 -0.76 0.31 0.00 -1.03 0.00 0.00 54.13 53.44 2kpn s LEU 96 Cb -0.08 -2.50 1.83 0.00 0.03 0.00 0.00 46.19 45.46 2kpn s LEU 96 CO 0.05 -1.65 2.16 -0.62 0.23 0.00 0.00 176.35 176.52