#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 0.20 3.40 -5.12 0.00 -1.26 -5.07 105.19 97.33 2kpn n GLY 2 Ca 0.00 -1.93 -0.10 0.00 0.00 0.00 0.00 46.02 43.99 2kpn n GLY 2 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kpn s ASN 3 N -4.00 -0.03 0.00 1.61 2.47 -1.26 -5.02 114.94 108.71 2kpn s ASN 3 Ca 0.00 -0.82 0.00 0.00 0.42 0.00 0.00 52.86 52.46 2kpn s ASN 3 Cb 0.00 0.48 0.00 0.00 -1.45 0.00 0.00 41.25 40.28 2kpn s ASN 3 CO 0.00 -0.95 0.00 0.61 -3.72 0.00 0.00 177.10 173.04 2kpn n GLY 4 N -0.26 2.25 3.71 1.21 0.00 -1.26 -5.06 105.19 105.78 2kpn n GLY 4 Ca -0.07 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 2kpn n GLY 4 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kpn s GLU 5 N 0.00 4.48 -0.31 1.61 0.41 -1.26 -4.27 118.70 119.36 2kpn s GLU 5 Ca 0.00 1.61 -0.03 0.00 -0.41 0.00 0.00 54.97 56.14 2kpn s GLU 5 Cb 0.00 -3.41 0.00 0.00 -1.78 0.00 0.00 34.13 28.94 2kpn s GLU 5 CO 0.00 -0.18 0.10 2.41 -0.49 0.00 0.00 175.26 177.10 2kpn n THR 6 N 3.97-11.32 -4.30 3.63 -1.04 -1.26 -5.04 114.28 98.93 2kpn n THR 6 Ca 0.08 1.58 -0.34 0.00 -2.04 0.00 0.00 64.05 63.33 2kpn n THR 6 Cb 0.48 -6.83 -0.14 0.00 -1.82 0.00 0.00 70.33 62.02 2kpn n THR 6 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2kpn s SER 7 N -1.72 4.13 -0.20 8.00 0.01 -1.26 -5.07 113.70 117.59 2kpn s SER 7 Ca 0.04 -0.37 -0.17 0.00 1.31 0.00 0.00 55.95 56.77 2kpn s SER 7 Cb -0.01 -1.67 -0.04 0.00 0.21 0.00 0.00 66.02 64.51 2kpn s SER 7 CO 0.74 0.07 0.45 -0.62 0.41 0.00 0.00 173.24 174.28 2kpn s ASP 8 N 0.94 6.48 -0.06 2.44 2.15 -1.26 -5.06 116.67 122.29 2kpn s ASP 8 Ca -0.02 0.57 -0.18 0.00 0.43 0.00 0.00 52.55 53.35 2kpn s ASP 8 Cb -0.15 -2.26 -0.05 0.00 -0.30 0.00 0.00 42.92 40.17 2kpn s ASP 8 CO -0.00 -0.13 0.50 -0.76 -0.17 0.00 0.00 175.17 174.62 2kpn s LEU 9 N 1.50 4.36 0.47 -1.34 1.43 -1.26 -5.01 118.68 118.83 2kpn s LEU 9 Ca 0.21 0.96 -0.24 0.00 -1.03 0.00 0.00 54.13 54.03 2kpn s LEU 9 Cb -0.15 -2.75 -0.07 0.00 0.03 0.00 0.00 46.19 43.25 2kpn s LEU 9 CO 0.09 0.09 1.29 -1.83 0.23 0.00 0.00 176.35 176.22 2kpn s GLU 10 N 0.04 3.61 0.51 1.70 1.03 -1.26 -4.79 118.70 119.54 2kpn s GLU 10 Ca 0.27 2.10 -0.23 0.00 0.03 0.00 0.00 54.97 57.14 2kpn s GLU 10 Cb -0.16 -2.48 -0.06 0.00 -0.80 0.00 0.00 34.13 30.62 2kpn s GLU 10 CO 0.13 -0.77 1.38 -1.25 -1.33 0.00 0.00 175.26 173.42 2kpn s PRO 11 N -2.61 3.35 -0.74 -4.83 0.04 -1.26 -4.92 135.00 124.02 2kpn s PRO 11 Ca 0.64 2.29 -0.25 0.00 0.04 0.00 0.00 61.00 63.71 2kpn s PRO 11 Cb -0.37 -2.40 0.05 0.00 0.04 0.00 0.00 34.50 31.82 2kpn s PRO 11 CO 0.45 -1.04 1.20 0.21 0.04 0.00 0.00 177.00 177.85 2kpn s LYS 12 N -2.74 3.20 -0.46 4.56 2.36 0.92 -4.89 119.74 122.68 2kpn s LYS 12 Ca 0.68 -0.51 -0.22 0.00 -2.55 0.00 0.00 55.97 53.37 2kpn s LYS 12 Cb -0.41 -4.29 0.03 0.00 -1.05 0.00 0.00 37.83 32.11 2kpn s LYS 12 CO 0.50 -2.05 0.74 -1.17 1.55 0.00 0.00 175.35 174.93 2kpn s LEU 13 N 5.13 4.38 -0.45 5.43 2.96 -1.26 -1.38 118.68 133.49 2kpn s LEU 13 Ca 0.32 -0.27 -0.24 0.00 -0.22 0.00 0.00 54.13 53.72 2kpn s LEU 13 Cb -0.10 -2.83 0.02 0.00 0.50 0.00 0.00 46.19 43.78 2kpn s LEU 13 CO 0.11 -0.90 0.84 -0.89 -1.32 0.00 0.00 176.35 174.19 2kpn s THR 14 N 3.15 4.59 -0.07 3.68 2.01 0.82 -4.99 115.64 124.83 2kpn s THR 14 Ca 0.26 0.59 0.00 0.00 0.31 0.00 0.00 61.69 62.85 2kpn s THR 14 Cb -0.13 -4.36 0.02 0.00 0.01 0.00 0.00 72.50 68.04 2kpn s THR 14 CO 0.20 -0.74 -0.05 -0.69 -0.69 0.00 0.00 174.62 172.66 2kpn s VAL 15 N 3.45 0.68 0.57 3.82 1.01 -1.26 -2.22 120.40 126.45 2kpn s VAL 15 Ca 0.33 -0.14 -0.16 0.00 0.00 0.00 0.00 61.98 62.01 2kpn s VAL 15 Cb -0.11 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 2kpn s VAL 15 CO 0.24 0.28 1.05 -2.16 0.00 0.00 0.00 175.10 174.51 2kpn s PRO 16 N 1.36 3.43 0.39 2.72 0.04 -1.26 -4.97 135.00 136.71 2kpn s PRO 16 Ca -0.03 1.21 0.09 0.00 0.04 0.00 0.00 61.00 62.31 2kpn s PRO 16 Cb -0.14 -2.05 0.81 0.00 0.04 0.00 0.00 34.50 33.17 2kpn s PRO 16 CO -0.03 -0.72 1.94 -0.24 0.04 0.00 0.00 177.00 177.99 2kpn h VAL 17 N 0.62 1.16 -2.12 -0.36 3.04 -1.95 -3.40 116.25 113.24 2kpn h VAL 17 Ca -0.47 -0.67 0.23 0.00 -1.01 0.00 0.00 66.70 64.77 2kpn h VAL 17 Cb 1.22 1.11 -0.08 0.00 -2.01 0.00 0.00 31.29 31.53 2kpn h VAL 17 CO 0.58 0.22 0.64 -0.83 -1.01 0.00 0.00 177.57 177.17 2kpn s GLY 18 N -4.01 -0.18 -0.20 3.17 0.00 -1.26 -1.71 107.32 103.13 2kpn s GLY 18 Ca -0.06 0.15 -0.08 0.00 0.00 0.00 0.00 44.72 44.73 2kpn s GLY 18 CO 0.73 1.15 0.45 0.00 0.00 0.00 0.00 173.10 175.43 2kpn s ALA 19 N -2.65 -1.23 -0.23 3.20 0.00 -0.63 -4.89 121.76 115.34 2kpn s ALA 19 Ca 0.17 1.62 -0.09 0.00 0.00 0.00 0.00 51.96 53.65 2kpn s ALA 19 Cb 0.00 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 2kpn s ALA 19 CO 0.01 -0.63 0.12 0.99 0.00 0.00 0.00 175.76 176.25 2kpn s THR 20 N 2.29 4.98 0.43 0.00 2.01 -1.26 -0.72 115.64 123.38 2kpn s THR 20 Ca -0.04 0.05 0.03 0.00 0.31 0.00 0.00 61.69 62.04 2kpn s THR 20 Cb -0.11 -3.31 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 2kpn s THR 20 CO -0.14 0.37 0.08 0.27 -0.69 0.00 0.00 174.62 174.51 2kpn s ILE 21 N 1.04 0.88 0.21 1.82 -4.36 -0.29 -4.98 121.20 115.53 2kpn s ILE 21 Ca 0.06 -2.00 0.10 0.00 -0.26 0.00 0.00 60.65 58.55 2kpn s ILE 21 Cb -0.14 -2.36 -0.04 0.00 1.25 0.00 0.00 42.46 41.16 2kpn s ILE 21 CO 0.04 0.00 -0.15 -1.00 0.24 0.00 0.00 174.94 174.07 2kpn s HIS 22 N -3.10 2.47 0.04 1.37 3.76 -1.26 -0.78 115.29 117.80 2kpn s HIS 22 Ca 0.20 -0.28 -0.30 0.00 -0.15 0.00 0.00 55.06 54.52 2kpn s HIS 22 Cb 0.03 -1.17 -0.09 0.00 1.11 0.00 0.00 32.58 32.46 2kpn s HIS 22 CO 0.11 0.56 1.88 0.08 -0.85 0.00 0.00 174.74 176.52 2kpn s VAL 23 N -1.93 3.01 0.00 -0.90 1.01 0.07 -1.94 120.40 119.71 2kpn s VAL 23 Ca 0.25 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.39 2kpn s VAL 23 Cb -0.07 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.21 2kpn s VAL 23 CO 0.14 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.84 2kpn n GLY 24 N 4.39 2.36 0.00 4.51 0.00 0.85 -4.64 105.19 112.66 2kpn n GLY 24 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 -3.81 1.61 9.92 -0.82 -5.04 116.55 118.41 2kpn n ASP 25 Ca 0.00 -0.28 -0.15 0.00 -0.53 0.00 0.00 54.79 53.83 2kpn n ASP 25 Cb 0.00 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.39 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 -1.00 0.74 -0.14 -2.24 0.01 -1.26 -4.84 113.70 104.96 2kpn s SER 26 Ca 0.00 -1.50 -0.14 0.00 1.31 0.00 0.00 55.95 55.62 2kpn s SER 26 Cb 0.00 0.48 0.04 0.00 0.21 0.00 0.00 66.02 66.75 2kpn s SER 26 CO 0.00 -0.98 0.39 0.12 0.41 0.00 0.00 173.24 173.18 2kpn s PHE 27 N -3.81 -0.42 -0.31 2.43 5.36 -1.26 -4.96 117.98 115.01 2kpn s PHE 27 Ca 0.38 1.03 0.02 0.00 -0.96 0.00 0.00 56.93 57.39 2kpn s PHE 27 Cb 0.04 0.15 0.08 0.00 -0.34 0.00 0.00 43.02 42.95 2kpn s PHE 27 CO 0.18 -0.22 -0.00 0.08 -1.46 0.00 0.00 175.22 173.80 2kpn s VAL 28 N 0.15 2.50 0.29 3.12 1.01 -1.26 -5.01 120.40 121.20 2kpn s VAL 28 Ca -0.01 -1.85 -0.02 0.00 0.00 0.00 0.00 61.98 60.10 2kpn s VAL 28 Cb -0.03 -2.61 0.26 0.00 0.00 0.00 0.00 36.38 34.01 2kpn s VAL 28 CO 0.01 -0.30 1.96 -0.65 0.00 0.00 0.00 175.10 176.12 2kpn h PRO 29 N 7.80 1.12 0.00 2.72 0.11 -2.01 -2.66 132.00 139.08 2kpn h PRO 29 Ca -0.14 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2kpn h PRO 29 Cb 1.04 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.90 2kpn h PRO 29 CO 0.52 0.74 0.00 -1.33 -0.21 0.00 0.00 178.00 177.72 2kpn n MET 30 N -4.41 0.05 0.04 1.05 2.81 -1.26 -3.48 117.12 111.93 2kpn n MET 30 Ca 0.10 0.03 -0.20 0.00 -1.81 0.00 0.00 57.70 55.82 2kpn n MET 30 Cb 0.03 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 30.89 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 2.99 -0.09 -0.00 3.04 0.00 -1.91 -3.35 119.26 119.94 2kpn h ALA 31 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2kpn h ALA 31 Cb 0.44 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2kpn h ALA 31 CO 0.00 0.35 -0.27 0.39 0.00 0.00 0.00 179.25 179.72 2kpn n GLU 32 N -4.16 0.26 -4.57 0.00 -0.58 -1.24 -4.81 120.64 105.55 2kpn n GLU 32 Ca -0.14 -0.11 -0.33 0.00 -0.42 0.00 0.00 57.16 56.16 2kpn n GLU 32 Cb 0.80 -1.50 -0.16 0.00 -0.57 0.00 0.00 31.44 30.01 2kpn n GLU 32 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2kpn s VAL 33 N -2.82 2.29 0.26 2.62 1.01 -1.23 -4.52 120.40 118.02 2kpn s VAL 33 Ca 0.17 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.33 2kpn s VAL 33 Cb 0.19 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 2kpn s VAL 33 CO 0.59 0.53 -0.10 -0.76 0.00 0.00 0.00 175.10 175.37 2kpn s LEU 34 N 0.86 2.52 -0.07 3.92 2.01 -0.94 -4.82 118.68 122.15 2kpn s LEU 34 Ca -0.05 -1.13 -0.03 0.00 0.01 0.00 0.00 54.13 52.93 2kpn s LEU 34 Cb -0.15 -0.69 0.04 0.00 0.01 0.00 0.00 46.19 45.40 2kpn s LEU 34 CO -0.02 -0.26 0.14 0.00 1.01 0.00 0.00 176.35 177.22 2kpn s ALA 35 N -2.95 -0.09 -0.10 4.21 0.00 -1.26 -0.12 121.76 121.44 2kpn s ALA 35 Ca 0.27 0.50 0.01 0.00 0.00 0.00 0.00 51.96 52.74 2kpn s ALA 35 Cb 0.02 -0.71 0.02 0.00 0.00 0.00 0.00 23.12 22.44 2kpn s ALA 35 CO 0.11 -0.48 -0.10 0.42 0.00 0.00 0.00 175.76 175.70 2kpn s ILE 36 N 2.08 1.13 0.09 0.00 -1.09 -0.48 -1.10 121.20 121.82 2kpn s ILE 36 Ca 0.01 -0.41 0.05 0.00 -2.23 0.00 0.00 60.65 58.07 2kpn s ILE 36 Cb -0.12 -1.08 -0.04 0.00 -1.58 0.00 0.00 42.46 39.64 2kpn s ILE 36 CO -0.05 0.37 0.01 -0.62 -1.23 0.00 0.00 174.94 173.42 2kpn s ASP 37 N 1.22 5.09 0.02 3.58 2.15 0.70 -0.06 116.67 129.37 2kpn s ASP 37 Ca -0.04 -0.15 -0.26 0.00 0.43 0.00 0.00 52.55 52.53 2kpn s ASP 37 Cb -0.14 -1.23 -0.16 0.00 -0.30 0.00 0.00 42.92 41.09 2kpn s ASP 37 CO -0.03 0.18 1.23 0.11 -0.17 0.00 0.00 175.17 176.48 2kpn h LYS 38 N 3.44 -0.62 0.00 4.34 1.57 -1.87 -2.83 116.57 120.60 2kpn h LYS 38 Ca -0.48 0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.26 2kpn h LYS 38 Cb 1.16 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 2kpn h LYS 38 CO 0.60 -0.32 -0.51 0.93 -0.57 0.00 0.00 179.45 179.59 2kpn h GLU 39 N -0.94 0.00 0.00 3.15 3.07 -1.97 -3.37 114.58 114.51 2kpn h GLU 39 Ca -0.07 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.68 2kpn h GLU 39 Cb 0.59 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.49 2kpn h GLU 39 CO 0.11 0.82 -0.53 0.22 -1.40 0.00 0.00 179.01 178.23 2kpn h ASP 40 N -1.00 0.00 0.00 1.42 1.82 -1.98 -3.49 116.42 113.19 2kpn h ASP 40 Ca -0.13 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.51 2kpn h ASP 40 Cb 0.98 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.99 2kpn h ASP 40 CO -0.08 0.53 0.00 0.61 -1.61 0.00 0.00 179.24 178.69 2kpn n GLY 41 N 0.23 0.29 3.72 -0.78 0.00 -1.07 -4.96 105.19 102.63 2kpn n GLY 41 Ca -0.01 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 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 6.86 -0.05 1.61 -1.08 -1.26 -0.22 116.67 118.53 2kpn s ASP 42 Ca 0.00 2.34 0.08 0.00 -0.52 0.00 0.00 52.55 54.45 2kpn s ASP 42 Cb 0.00 -2.59 0.12 0.00 -1.46 0.00 0.00 42.92 38.99 2kpn s ASP 42 CO 0.00 -0.60 1.00 0.18 0.52 0.00 0.00 175.17 176.28 2kpn n LEU 43 N 3.46 1.60 -0.28 -1.34 4.77 -0.26 -4.81 117.00 120.15 2kpn n LEU 43 Ca 0.09 -2.07 0.02 0.00 -0.03 0.00 0.00 56.01 54.02 2kpn n LEU 43 Cb 0.43 -0.18 0.23 0.00 -2.33 0.00 0.00 43.42 41.56 2kpn n LEU 43 CO 0.58 0.49 1.25 0.74 -1.33 0.00 0.00 177.39 179.13 2kpn h THR 44 N 1.45 1.14 0.00 -5.08 2.02 -1.83 -0.46 112.91 110.15 2kpn h THR 44 Ca 0.00 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 2kpn h THR 44 Cb 0.91 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.29 2kpn h THR 44 CO 0.00 0.20 -0.01 0.28 0.37 0.00 0.00 175.52 176.35 2kpn h SER 45 N 1.07 0.00 -0.07 4.18 0.02 -1.90 -1.82 113.55 115.03 2kpn h SER 45 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 2kpn h SER 45 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2kpn h SER 45 CO -0.10 0.01 0.00 0.29 -1.14 0.00 0.00 176.83 175.89 2kpn n LYS 46 N -3.35 1.78 -2.08 3.45 5.02 -0.18 -4.89 118.16 117.90 2kpn n LYS 46 Ca -0.03 -1.15 -0.43 0.00 -2.02 0.00 0.00 58.31 54.69 2kpn n LYS 46 Cb 0.11 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.64 2kpn n LYS 46 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2kpn s ILE 47 N -1.93 3.61 -0.27 -0.18 1.01 -0.69 -4.59 121.20 118.17 2kpn s ILE 47 Ca 0.36 0.65 -0.25 0.00 0.00 0.00 0.00 60.65 61.41 2kpn s ILE 47 Cb 0.20 -3.73 -0.00 0.00 0.01 0.00 0.00 42.46 38.93 2kpn s ILE 47 CO 0.31 -0.41 0.84 -0.75 0.00 0.00 0.00 174.94 174.93 2kpn s LYS 48 N 5.18 4.11 -0.07 2.79 2.47 0.70 -4.87 119.74 130.04 2kpn s LYS 48 Ca 0.74 0.85 -0.12 0.00 -1.56 0.00 0.00 55.97 55.89 2kpn s LYS 48 Cb -0.22 -3.68 -0.05 0.00 -1.46 0.00 0.00 37.83 32.42 2kpn s LYS 48 CO 0.32 -0.59 0.28 0.08 0.16 0.00 0.00 175.35 175.60 2kpn s VAL 49 N 2.94 5.26 -0.00 4.02 1.01 -1.26 -1.30 120.40 131.07 2kpn s VAL 49 Ca 0.35 0.54 0.03 0.00 0.00 0.00 0.00 61.98 62.91 2kpn s VAL 49 Cb -0.15 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 2kpn s VAL 49 CO 0.09 0.56 -0.10 -0.62 0.00 0.00 0.00 175.10 175.03 2kpn s ASP 50 N -0.79 1.23 0.00 3.32 2.15 0.06 -4.97 116.67 117.67 2kpn s ASP 50 Ca 0.19 -0.22 0.00 0.00 0.43 0.00 0.00 52.55 52.95 2kpn s ASP 50 Cb -0.14 -0.13 0.00 0.00 -0.30 0.00 0.00 42.92 42.35 2kpn s ASP 50 CO 0.08 0.11 0.00 0.61 -0.17 0.00 0.00 175.17 175.80 2kpn n GLY 51 N 2.71 -2.02 3.64 2.66 0.00 -1.26 -0.59 105.19 110.32 2kpn n GLY 51 Ca -0.14 -2.18 -0.10 0.00 0.00 0.00 0.00 46.02 43.60 2kpn n GLY 51 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kpn s GLU 52 N -0.68 0.66 0.04 1.61 -1.05 -1.26 -5.01 118.70 113.02 2kpn s GLU 52 Ca 0.00 0.88 0.05 0.00 -0.15 0.00 0.00 54.97 55.75 2kpn s GLU 52 Cb 0.00 0.27 -0.04 0.00 -0.44 0.00 0.00 34.13 33.93 2kpn s GLU 52 CO 0.00 -0.09 -0.09 0.08 0.95 0.00 0.00 175.26 176.11 2kpn s VAL 53 N 0.67 3.48 0.49 1.83 1.01 -1.26 -4.87 120.40 121.74 2kpn s VAL 53 Ca -0.02 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 60.88 2kpn s VAL 53 Cb -0.05 -2.55 -0.06 0.00 0.00 0.00 0.00 36.38 33.73 2kpn s VAL 53 CO -0.07 0.30 0.87 -1.81 0.00 0.00 0.00 175.10 174.39 2kpn s ASP 54 N -1.68 6.43 -0.01 3.32 1.01 -1.26 -5.00 116.67 119.48 2kpn s ASP 54 Ca 0.18 1.25 0.02 0.00 0.71 0.00 0.00 52.55 54.71 2kpn s ASP 54 Cb -0.11 -2.38 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 2kpn s ASP 54 CO 0.10 -0.57 0.04 0.35 0.21 0.00 0.00 175.17 175.30 2kpn n THR 55 N -1.84 0.04 -0.46 -1.27 -2.24 -1.26 -4.68 114.28 102.57 2kpn n THR 55 Ca 0.04 -0.07 0.07 0.00 -2.27 0.00 0.00 64.05 61.82 2kpn n THR 55 Cb 0.54 0.05 0.23 0.00 -2.10 0.00 0.00 70.33 69.05 2kpn n THR 55 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2kpn n THR 56 N -1.73 1.45 -3.79 4.28 -2.24 -1.26 -0.11 114.28 110.89 2kpn n THR 56 Ca -0.01 -1.24 -0.14 0.00 -2.27 0.00 0.00 64.05 60.38 2kpn n THR 56 Cb 0.21 0.26 -0.16 0.00 -2.10 0.00 0.00 70.33 68.54 2kpn n THR 56 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2kpn s LYS 57 N -1.57 -0.03 0.32 -0.78 2.20 -1.26 -4.95 119.74 113.67 2kpn s LYS 57 Ca 0.35 0.16 -0.27 0.00 -0.36 0.00 0.00 55.97 55.85 2kpn s LYS 57 Cb 0.22 -0.21 -0.09 0.00 -1.51 0.00 0.00 37.83 36.24 2kpn s LYS 57 CO 0.17 -0.14 1.00 0.00 -0.36 0.00 0.00 175.35 176.02 2kpn s ALA 58 N 0.90 3.23 0.00 3.13 0.00 -1.26 -4.70 121.76 123.06 2kpn s ALA 58 Ca -0.07 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.54 2kpn s ALA 58 Cb -0.11 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2kpn s ALA 58 CO -0.03 0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.16 2kpn n GLY 59 N 0.74 -1.45 3.07 0.00 0.00 -0.33 -4.96 105.19 102.27 2kpn n GLY 59 Ca 0.02 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.28 1.68 -0.07 2.61 2.01 -1.26 -0.10 115.64 118.22 2kpn s THR 60 Ca 0.00 -0.73 0.02 0.00 0.31 0.00 0.00 61.69 61.29 2kpn s THR 60 Cb 0.00 -1.53 0.01 0.00 0.01 0.00 0.00 72.50 70.99 2kpn s THR 60 CO 0.00 0.48 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.97 2kpn s TYR 61 N 1.15 1.56 -0.29 4.92 2.02 0.69 -4.97 117.35 122.42 2kpn s TYR 61 Ca -0.02 -0.61 -0.13 0.00 -0.37 0.00 0.00 57.07 55.94 2kpn s TYR 61 Cb -0.14 -1.14 -0.03 0.00 -0.40 0.00 0.00 41.96 40.24 2kpn s TYR 61 CO -0.06 -0.32 0.30 0.08 -1.57 0.00 0.00 175.55 173.99 2kpn s VAL 62 N 0.74 5.23 -0.08 0.71 1.01 -1.26 -0.98 120.40 125.76 2kpn s VAL 62 Ca -0.13 0.27 -0.16 0.00 0.00 0.00 0.00 61.98 61.96 2kpn s VAL 62 Cb -0.16 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 2kpn s VAL 62 CO 0.03 0.12 0.42 -0.76 0.00 0.00 0.00 175.10 174.91 2kpn s LEU 63 N 1.93 4.34 -0.03 3.92 1.43 0.26 -4.73 118.68 125.80 2kpn s LEU 63 Ca 0.11 0.82 -0.03 0.00 -1.03 0.00 0.00 54.13 54.00 2kpn s LEU 63 Cb -0.16 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.42 2kpn s LEU 63 CO 0.11 0.14 0.15 -0.89 0.23 0.00 0.00 176.35 176.08 2kpn s THR 64 N -0.02 5.29 -0.15 5.49 2.01 0.24 -0.40 115.64 128.11 2kpn s THR 64 Ca 0.24 -0.14 -0.02 0.00 0.31 0.00 0.00 61.69 62.07 2kpn s THR 64 Cb -0.15 -3.43 0.05 0.00 0.01 0.00 0.00 72.50 68.97 2kpn s THR 64 CO 0.10 0.39 0.02 -0.31 -0.69 0.00 0.00 174.62 174.13 2kpn s TYR 65 N -1.24 0.90 -0.07 4.92 2.02 0.97 -0.76 117.35 124.08 2kpn s TYR 65 Ca 0.24 -0.60 0.03 0.00 -0.37 0.00 0.00 57.07 56.37 2kpn s TYR 65 Cb -0.12 -0.95 -0.02 0.00 -0.40 0.00 0.00 41.96 40.47 2kpn s TYR 65 CO 0.15 -0.51 -0.14 0.99 -1.57 0.00 0.00 175.55 174.47 2kpn s THR 66 N 1.90 3.04 -0.01 -0.71 2.01 -0.42 -0.88 115.64 120.57 2kpn s THR 66 Ca 0.01 -0.72 0.01 0.00 0.31 0.00 0.00 61.69 61.30 2kpn s THR 66 Cb -0.15 -2.21 0.01 0.00 0.01 0.00 0.00 72.50 70.16 2kpn s THR 66 CO -0.07 0.58 -0.01 0.54 -0.69 0.00 0.00 174.62 174.96 2kpn s VAL 67 N -0.51 0.17 -0.14 3.82 0.11 -0.31 -0.22 120.40 123.33 2kpn s VAL 67 Ca 0.07 -0.02 -0.01 0.00 -2.93 0.00 0.00 61.98 59.08 2kpn s VAL 67 Cb -0.12 -0.19 -0.02 0.00 -1.53 0.00 0.00 36.38 34.52 2kpn s VAL 67 CO 0.02 0.08 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.87 2kpn s THR 68 N 0.35 3.21 0.50 5.04 2.01 -1.26 -1.59 115.64 123.90 2kpn s THR 68 Ca -0.03 -0.60 -0.20 0.00 0.31 0.00 0.00 61.69 61.16 2kpn s THR 68 Cb -0.06 -2.36 -0.08 0.00 0.01 0.00 0.00 72.50 70.01 2kpn s THR 68 CO -0.01 0.52 1.06 -0.62 -0.69 0.00 0.00 174.62 174.88 2kpn s ASP 69 N 0.39 6.21 0.40 3.53 -1.08 0.44 -4.96 116.67 121.60 2kpn s ASP 69 Ca -0.09 1.98 0.18 0.00 -0.52 0.00 0.00 52.55 54.10 2kpn s ASP 69 Cb -0.16 -2.56 0.85 0.00 -1.46 0.00 0.00 42.92 39.59 2kpn s ASP 69 CO 0.05 -0.88 1.83 0.28 0.52 0.00 0.00 175.17 176.98 2kpn h SER 70 N 1.48 0.00 -0.19 -0.34 0.02 -2.00 -2.72 113.55 109.80 2kpn h SER 70 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2kpn h SER 70 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2kpn h SER 70 CO 0.59 0.33 0.00 0.29 -1.14 0.00 0.00 176.83 176.89 2kpn n LYS 71 N -3.75 1.71 0.00 3.45 4.01 -1.26 -4.91 118.16 117.40 2kpn n LYS 71 Ca -0.01 -1.07 0.00 0.00 -0.51 0.00 0.00 58.31 56.72 2kpn n LYS 71 Cb 0.42 -1.37 0.00 0.00 -0.51 0.00 0.00 35.03 33.57 2kpn n LYS 71 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2kpn n GLY 72 N 1.10 0.88 3.60 0.72 0.00 -1.03 -5.05 105.19 105.42 2kpn n GLY 72 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 3.25 -0.07 1.61 3.76 -1.26 -4.89 115.29 115.69 2kpn s HIS 73 Ca 0.00 0.44 0.02 0.00 -0.15 0.00 0.00 55.06 55.37 2kpn s HIS 73 Cb 0.00 -2.64 -0.03 0.00 1.11 0.00 0.00 32.58 31.03 2kpn s HIS 73 CO 0.00 -0.27 -0.11 -2.00 -0.85 0.00 0.00 174.74 171.51 2kpn s GLU 74 N 2.15 2.69 0.04 1.40 2.12 -1.26 -0.42 118.70 125.42 2kpn s GLU 74 Ca 0.17 -0.64 0.01 0.00 0.36 0.00 0.00 54.97 54.87 2kpn s GLU 74 Cb -0.16 -2.49 -0.03 0.00 0.26 0.00 0.00 34.13 31.72 2kpn s GLU 74 CO 0.10 0.60 -0.05 0.14 -0.54 0.00 0.00 175.26 175.51 2kpn s VAL 75 N -0.64 0.30 0.03 3.70 -7.23 -0.62 -5.01 120.40 110.93 2kpn s VAL 75 Ca 0.10 -1.18 -0.01 0.00 -1.81 0.00 0.00 61.98 59.08 2kpn s VAL 75 Cb -0.11 -0.67 -0.03 0.00 0.56 0.00 0.00 36.38 36.13 2kpn s VAL 75 CO 0.01 -0.57 -0.02 0.28 -0.31 0.00 0.00 175.10 174.49 2kpn s THR 76 N -1.99 0.15 0.13 5.32 -1.32 -1.26 -1.16 115.64 115.50 2kpn s THR 76 Ca -0.08 -1.26 -0.11 0.00 -1.21 0.00 0.00 61.69 59.03 2kpn s THR 76 Cb -0.06 -0.78 0.00 0.00 -1.51 0.00 0.00 72.50 70.16 2kpn s THR 76 CO -0.02 -0.69 0.28 0.00 -2.21 0.00 0.00 174.62 171.97 2kpn s ALA 77 N -2.46 -0.31 0.15 11.08 0.00 -0.06 -5.00 121.76 125.16 2kpn s ALA 77 Ca -0.07 -0.59 0.08 0.00 0.00 0.00 0.00 51.96 51.38 2kpn s ALA 77 Cb -0.03 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 2kpn s ALA 77 CO -0.05 -0.60 -0.18 0.15 0.00 0.00 0.00 175.76 175.09 2kpn s LYS 78 N -3.89 1.20 -0.09 0.00 1.02 -1.26 -0.02 119.74 116.70 2kpn s LYS 78 Ca 0.09 -1.34 0.01 0.00 0.02 0.00 0.00 55.97 54.75 2kpn s LYS 78 Cb 0.03 -1.25 0.02 0.00 -0.52 0.00 0.00 37.83 36.12 2kpn s LYS 78 CO -0.07 0.26 -0.09 -1.14 -0.92 0.00 0.00 175.35 173.39 2kpn s GLN 79 N -2.66 1.52 -0.56 1.68 0.74 0.47 -4.75 119.66 116.10 2kpn s GLN 79 Ca 0.13 -0.30 -0.21 0.00 0.05 0.00 0.00 55.36 55.03 2kpn s GLN 79 Cb -0.06 -1.45 0.06 0.00 1.10 0.00 0.00 33.01 32.66 2kpn s GLN 79 CO 0.06 -0.14 0.79 0.99 -0.55 0.00 0.00 175.29 176.43 2kpn s THR 80 N 1.25 4.63 -0.15 -0.34 2.01 -0.70 -0.58 115.64 121.77 2kpn s THR 80 Ca -0.04 -0.31 -0.13 0.00 0.31 0.00 0.00 61.69 61.52 2kpn s THR 80 Cb -0.14 -4.46 -0.05 0.00 0.01 0.00 0.00 72.50 67.86 2kpn s THR 80 CO -0.03 -1.05 0.28 -0.69 -0.69 0.00 0.00 174.62 172.44 2kpn s VAL 81 N 3.27 5.31 -0.14 3.82 1.01 -0.16 -1.61 120.40 131.90 2kpn s VAL 81 Ca 0.20 0.52 0.01 0.00 0.00 0.00 0.00 61.98 62.71 2kpn s VAL 81 Cb -0.17 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.62 2kpn s VAL 81 CO 0.13 0.43 -0.18 -0.89 0.00 0.00 0.00 175.10 174.59 2kpn s THR 82 N 0.20 1.77 -0.18 3.92 2.01 0.11 -0.22 115.64 123.24 2kpn s THR 82 Ca 0.16 -0.78 -0.09 0.00 0.31 0.00 0.00 61.69 61.29 2kpn s THR 82 Cb -0.13 -1.61 -0.05 0.00 0.01 0.00 0.00 72.50 70.72 2kpn s THR 82 CO 0.04 0.49 0.12 -0.69 -0.69 0.00 0.00 174.62 173.89 2kpn s VAL 83 N 1.14 5.28 0.24 3.82 1.01 0.85 -1.14 120.40 131.60 2kpn s VAL 83 Ca -0.01 0.14 0.09 0.00 0.00 0.00 0.00 61.98 62.20 2kpn s VAL 83 Cb -0.14 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 2kpn s VAL 83 CO -0.06 0.47 -0.16 -1.59 0.00 0.00 0.00 175.10 173.76 2kpn s LYS 84 N 0.15 1.46 -0.21 2.72 -2.85 0.04 -1.18 119.74 119.88 2kpn s LYS 84 Ca 0.08 -1.66 -0.17 0.00 -1.00 0.00 0.00 55.97 53.22 2kpn s LYS 84 Cb -0.11 -1.34 -0.04 0.00 -2.06 0.00 0.00 37.83 34.28 2kpn s LYS 84 CO -0.01 0.22 0.44 0.08 0.10 0.00 0.00 175.35 176.19 2kpn s VAL 85 N -2.82 5.16 -0.23 1.79 1.01 -1.26 -0.75 120.40 123.29 2kpn s VAL 85 Ca 0.25 0.79 -0.16 0.00 0.00 0.00 0.00 61.98 62.86 2kpn s VAL 85 Cb -0.02 -3.77 -0.17 0.00 0.00 0.00 0.00 36.38 32.42 2kpn s VAL 85 CO 0.10 0.22 -0.01 -2.11 0.00 0.00 0.00 175.10 173.29 2kpn n ARG 86 N 4.65 0.60 -3.69 2.72 1.85 -1.26 -4.88 116.66 116.65 2kpn n ARG 86 Ca -0.07 0.40 -0.38 0.00 -1.00 0.00 0.00 57.85 56.81 2kpn n ARG 86 Cb 0.51 -1.63 -0.12 0.00 -1.05 0.00 0.00 32.46 30.16 2kpn n ARG 86 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 2kpn s GLU 87 N -2.45 3.49 0.79 2.89 -1.05 -1.26 -5.09 118.70 116.03 2kpn s GLU 87 Ca -0.32 -0.61 -0.13 0.00 -0.15 0.00 0.00 54.97 53.76 2kpn s GLU 87 Cb 0.10 -3.48 0.08 0.00 -0.44 0.00 0.00 34.13 30.38 2kpn s GLU 87 CO 0.57 -0.32 1.16 -1.21 0.95 0.00 0.00 175.26 176.42 2kpn s GLU 88 N 1.62 1.82 0.39 -4.83 2.02 -1.26 -4.96 118.70 113.50 2kpn s GLU 88 Ca 0.05 1.58 -0.27 0.00 0.02 0.00 0.00 54.97 56.35 2kpn s GLU 88 Cb -0.16 -1.81 -0.10 0.00 0.10 0.00 0.00 34.13 32.15 2kpn s GLU 88 CO 0.06 -2.04 1.41 0.14 0.02 0.00 0.00 175.26 174.85 2kpn s VAL 89 N -2.36 2.26 0.73 2.63 -7.23 -1.26 -5.02 120.40 110.14 2kpn s VAL 89 Ca 0.69 0.25 -0.10 0.00 -1.81 0.00 0.00 61.98 61.01 2kpn s VAL 89 Cb -0.25 -3.15 0.16 0.00 0.56 0.00 0.00 36.38 33.70 2kpn s VAL 89 CO 0.51 0.05 0.99 2.29 -0.31 0.00 0.00 175.10 178.63 2kpn n LYS 90 N 0.32 -0.80 -3.52 4.82 2.85 -1.26 -5.13 118.16 115.45 2kpn n LYS 90 Ca 0.02 -1.71 -0.16 0.00 -1.05 0.00 0.00 58.31 55.41 2kpn n LYS 90 Cb 0.41 -0.96 -0.05 0.00 -0.65 0.00 0.00 35.03 33.78 2kpn n LYS 90 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 2kpn s ASN 91 N -4.68 -0.59 0.00 -5.58 2.47 -1.26 -5.05 114.94 100.26 2kpn s ASN 91 Ca 0.57 0.55 0.00 0.00 0.42 0.00 0.00 52.86 54.40 2kpn s ASN 91 Cb -0.02 0.50 0.00 0.00 -1.45 0.00 0.00 41.25 40.29 2kpn s ASN 91 CO 0.40 -0.62 0.88 -0.90 -3.72 0.00 0.00 177.10 173.15 2kpn n ASP 92 N 0.67 0.03 -4.98 -4.21 5.75 -1.26 -4.78 116.55 107.77 2kpn n ASP 92 Ca -0.17 -1.80 -0.20 0.00 -0.01 0.00 0.00 54.79 52.61 2kpn n ASP 92 Cb 0.58 -0.01 -0.01 0.00 -1.03 0.00 0.00 41.12 40.65 2kpn n ASP 92 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2kpn s LYS 93 N -1.97 3.24 -0.62 0.11 -2.85 -1.26 -5.03 119.74 111.36 2kpn s LYS 93 Ca 0.00 -0.83 -0.26 0.00 -1.00 0.00 0.00 55.97 53.88 2kpn s LYS 93 Cb 0.00 -2.80 -0.05 0.00 -2.06 0.00 0.00 37.83 32.91 2kpn s LYS 93 CO 0.00 0.15 2.12 -1.25 0.10 0.00 0.00 175.35 176.47 2kpn s PRO 94 N -4.16 2.32 0.69 1.78 0.04 -1.26 -4.97 135.00 129.43 2kpn s PRO 94 Ca 0.42 0.77 -0.02 0.00 0.04 0.00 0.00 61.00 62.20 2kpn s PRO 94 Cb -0.09 -4.58 0.09 0.00 0.04 0.00 0.00 34.50 29.96 2kpn s PRO 94 CO 0.31 -3.19 0.96 0.96 0.04 0.00 0.00 177.00 176.09 2kpn s ILE 95 N 10.92 2.31 -0.21 0.56 -4.36 -1.26 -5.09 121.20 124.07 2kpn s ILE 95 Ca 0.81 -0.50 -0.09 0.00 -0.26 0.00 0.00 60.65 60.61 2kpn s ILE 95 Cb -0.13 -2.80 -0.04 0.00 1.25 0.00 0.00 42.46 40.73 2kpn s ILE 95 CO 0.19 0.00 0.11 -0.22 0.24 0.00 0.00 174.94 175.25 2kpn s LEU 96 N -5.11 3.94 0.00 0.37 2.96 -1.26 -5.21 118.68 114.37 2kpn s LEU 96 Ca 0.63 0.08 0.00 0.00 -0.22 0.00 0.00 54.13 54.62 2kpn s LEU 96 Cb -0.08 -2.03 0.00 0.00 0.50 0.00 0.00 46.19 44.58 2kpn s LEU 96 CO 0.43 0.11 0.49 -0.62 -1.32 0.00 0.00 176.35 175.44