#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 -0.92 2.83 3.03 0.00 -1.26 -5.12 105.19 103.75 2kpn n GLY 2 Ca 0.00 -0.67 -0.16 0.00 0.00 0.00 0.00 46.02 45.19 2kpn n GLY 2 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kpn n ASN 3 N 0.00 1.14 -3.85 1.61 5.03 -1.26 -5.15 115.26 112.79 2kpn n ASN 3 Ca 0.00 -1.91 -0.09 0.00 0.87 0.00 0.00 54.58 53.45 2kpn n ASN 3 Cb 0.00 -0.42 -0.07 0.00 -1.02 0.00 0.00 39.78 38.27 2kpn n ASN 3 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2kpn s GLY 4 N -4.23 0.08 -1.00 7.41 0.00 -1.26 -5.09 107.32 103.22 2kpn s GLY 4 Ca 0.47 -0.59 -0.23 0.00 0.00 0.00 0.00 44.72 44.37 2kpn s GLY 4 CO 0.31 -0.78 1.40 -0.54 0.00 0.00 0.00 173.10 173.50 2kpn s GLU 5 N -3.86 3.58 0.37 2.90 0.41 -1.26 -4.99 118.70 115.84 2kpn s GLU 5 Ca 0.05 -1.17 -0.06 0.00 -0.41 0.00 0.00 54.97 53.38 2kpn s GLU 5 Cb 0.05 -5.27 0.09 0.00 -1.78 0.00 0.00 34.13 27.21 2kpn s GLU 5 CO -0.11 -2.15 0.47 0.25 -0.49 0.00 0.00 175.26 173.22 2kpn n THR 6 N 6.71 0.00 -1.77 3.63 -2.24 -1.26 -4.92 114.28 114.42 2kpn n THR 6 Ca 0.31 -0.32 -0.40 0.00 -2.27 0.00 0.00 64.05 61.37 2kpn n THR 6 Cb 0.51 -1.71 -0.03 0.00 -2.10 0.00 0.00 70.33 67.00 2kpn n THR 6 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2kpn s SER 7 N -2.72 5.16 -0.12 3.42 0.01 -1.26 -4.95 113.70 113.25 2kpn s SER 7 Ca 0.27 1.16 -0.24 0.00 1.31 0.00 0.00 55.95 58.45 2kpn s SER 7 Cb -0.01 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.68 2kpn s SER 7 CO 0.19 -2.31 0.74 -0.62 0.41 0.00 0.00 173.24 171.66 2kpn s ASP 8 N 9.09 6.94 -0.30 2.44 -1.08 -1.26 -5.04 116.67 127.46 2kpn s ASP 8 Ca 0.88 1.14 -0.22 0.00 -0.52 0.00 0.00 52.55 53.83 2kpn s ASP 8 Cb -0.21 -2.42 -0.00 0.00 -1.46 0.00 0.00 42.92 38.83 2kpn s ASP 8 CO 0.29 -0.24 0.73 -0.76 0.52 0.00 0.00 175.17 175.70 2kpn s LEU 9 N 1.45 4.11 0.58 -1.34 1.43 -1.26 -5.05 118.68 118.60 2kpn s LEU 9 Ca 0.37 0.59 -0.19 0.00 -1.03 0.00 0.00 54.13 53.87 2kpn s LEU 9 Cb -0.17 -2.98 -0.06 0.00 0.03 0.00 0.00 46.19 43.02 2kpn s LEU 9 CO 0.15 -0.55 0.93 -1.84 0.23 0.00 0.00 176.35 175.26 2kpn n GLU 10 N 6.06 0.91 -1.73 1.70 0.00 -1.26 -4.26 120.64 122.06 2kpn n GLU 10 Ca 0.02 0.35 -0.42 0.00 0.00 0.00 0.00 57.16 57.11 2kpn n GLU 10 Cb 0.48 -2.11 -0.00 0.00 0.00 0.00 0.00 31.44 29.81 2kpn n GLU 10 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 2kpn n PRO 11 N -0.80 2.34 -2.68 3.44 -0.02 -1.26 -4.82 135.00 131.20 2kpn n PRO 11 Ca 0.13 0.82 -0.42 0.00 -2.02 0.00 0.00 63.50 62.01 2kpn n PRO 11 Cb 0.47 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.42 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 -2.05 3.29 -0.28 -0.52 2.47 0.87 -4.86 119.74 118.67 2kpn s LYS 12 Ca 0.55 -0.22 -0.20 0.00 -1.56 0.00 0.00 55.97 54.54 2kpn s LYS 12 Cb -0.52 -4.12 -0.01 0.00 -1.46 0.00 0.00 37.83 31.73 2kpn s LYS 12 CO 0.62 -1.81 0.63 -1.17 0.16 0.00 0.00 175.35 173.78 2kpn s LEU 13 N 4.83 4.10 -0.43 5.43 2.96 -1.26 -1.88 118.68 132.42 2kpn s LEU 13 Ca 0.34 0.56 -0.19 0.00 -0.22 0.00 0.00 54.13 54.61 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 0.18 -0.43 0.56 -0.89 -1.32 0.00 0.00 176.35 174.45 2kpn s THR 14 N 2.56 4.93 -0.04 3.68 2.01 0.12 -5.00 115.64 123.90 2kpn s THR 14 Ca 0.26 -0.09 -0.02 0.00 0.31 0.00 0.00 61.69 62.15 2kpn s THR 14 Cb -0.15 -4.14 0.03 0.00 0.01 0.00 0.00 72.50 68.24 2kpn s THR 14 CO 0.10 -0.54 0.05 -0.69 -0.69 0.00 0.00 174.62 172.85 2kpn s VAL 15 N 2.54 -0.07 0.51 3.82 1.01 -1.26 -2.55 120.40 124.40 2kpn s VAL 15 Ca 0.18 0.37 -0.19 0.00 0.00 0.00 0.00 61.98 62.34 2kpn s VAL 15 Cb -0.15 -0.16 -0.08 0.00 0.00 0.00 0.00 36.38 35.99 2kpn s VAL 15 CO 0.17 0.17 1.02 -2.16 0.00 0.00 0.00 175.10 174.29 2kpn s PRO 16 N 1.92 3.77 0.39 2.72 0.04 -1.26 -4.94 135.00 137.64 2kpn s PRO 16 Ca 0.02 1.22 0.10 0.00 0.04 0.00 0.00 61.00 62.38 2kpn s PRO 16 Cb -0.12 -2.10 0.80 0.00 0.04 0.00 0.00 34.50 33.12 2kpn s PRO 16 CO -0.03 -0.44 1.92 -0.24 0.04 0.00 0.00 177.00 178.25 2kpn h VAL 17 N 1.23 1.17 -2.95 -0.36 3.04 -1.97 -3.37 116.25 113.04 2kpn h VAL 17 Ca -0.48 -0.77 0.05 0.00 -1.01 0.00 0.00 66.70 64.48 2kpn h VAL 17 Cb 1.21 1.22 -0.08 0.00 -2.01 0.00 0.00 31.29 31.63 2kpn h VAL 17 CO 0.59 0.24 0.24 -0.83 -1.01 0.00 0.00 177.57 176.81 2kpn s GLY 18 N -4.06 -0.27 0.02 3.17 0.00 -1.26 -1.75 107.32 103.16 2kpn s GLY 18 Ca -0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 44.72 44.61 2kpn s GLY 18 CO 0.73 0.00 0.07 0.00 0.00 0.00 0.00 173.10 173.90 2kpn s ALA 19 N -3.82 -0.10 -0.06 3.20 0.00 0.45 -4.86 121.76 116.56 2kpn s ALA 19 Ca 0.08 -0.39 -0.02 0.00 0.00 0.00 0.00 51.96 51.63 2kpn s ALA 19 Cb -0.04 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.26 2kpn s ALA 19 CO 0.00 -0.21 0.04 0.99 0.00 0.00 0.00 175.76 176.57 2kpn s THR 20 N -1.68 0.12 0.38 0.00 2.01 -1.26 -0.10 115.64 115.10 2kpn s THR 20 Ca -0.13 0.24 0.04 0.00 0.31 0.00 0.00 61.69 62.15 2kpn s THR 20 Cb -0.07 -0.36 -0.03 0.00 0.01 0.00 0.00 72.50 72.05 2kpn s THR 20 CO -0.01 0.18 0.13 0.27 -0.69 0.00 0.00 174.62 174.50 2kpn s ILE 21 N 2.08 0.63 0.21 1.82 -4.36 -0.76 -5.00 121.20 115.81 2kpn s ILE 21 Ca 0.05 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.52 2kpn s ILE 21 Cb -0.12 -2.43 -0.04 0.00 1.25 0.00 0.00 42.46 41.11 2kpn s ILE 21 CO -0.04 0.00 0.02 -1.00 0.24 0.00 0.00 174.94 174.16 2kpn s HIS 22 N -3.28 2.84 0.12 1.37 3.76 -1.26 -0.84 115.29 118.00 2kpn s HIS 22 Ca 0.27 -0.16 -0.32 0.00 -0.15 0.00 0.00 55.06 54.71 2kpn s HIS 22 Cb 0.04 -1.33 -0.12 0.00 1.11 0.00 0.00 32.58 32.28 2kpn s HIS 22 CO 0.15 0.55 1.78 0.28 -0.85 0.00 0.00 174.74 176.65 2kpn n VAL 23 N -0.45 0.27 -0.26 -0.90 0.31 0.03 -2.00 118.33 115.33 2kpn n VAL 23 Ca -0.09 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 2kpn n VAL 23 Cb 0.56 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 2kpn n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kpn n GLY 24 N 4.06 0.74 3.98 2.92 0.00 -0.20 -4.57 105.19 112.12 2kpn n GLY 24 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 2kpn n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kpn s ASP 25 N -2.54 5.89 -0.05 1.61 1.11 -0.85 -5.11 116.67 116.74 2kpn s ASP 25 Ca 0.00 -0.05 -0.15 0.00 0.18 0.00 0.00 52.55 52.54 2kpn s ASP 25 Cb 0.00 -1.29 -0.05 0.00 1.07 0.00 0.00 42.92 42.65 2kpn s ASP 25 CO 0.00 -0.55 0.39 -0.44 1.18 0.00 0.00 175.17 175.74 2kpn s SER 26 N -4.20 6.71 -0.04 0.27 0.01 -1.26 -4.98 113.70 110.20 2kpn s SER 26 Ca 0.47 0.85 0.01 0.00 1.31 0.00 0.00 55.95 58.58 2kpn s SER 26 Cb -0.10 -2.24 0.02 0.00 0.21 0.00 0.00 66.02 63.92 2kpn s SER 26 CO 0.33 0.25 -0.03 0.12 0.41 0.00 0.00 173.24 174.32 2kpn s PHE 27 N -0.61 0.66 -0.36 2.43 5.36 -1.26 -5.08 117.98 119.13 2kpn s PHE 27 Ca 0.22 -0.17 0.02 0.00 -0.96 0.00 0.00 56.93 56.05 2kpn s PHE 27 Cb -0.16 -0.63 0.11 0.00 -0.34 0.00 0.00 43.02 42.00 2kpn s PHE 27 CO 0.11 -0.19 0.11 0.08 -1.46 0.00 0.00 175.22 173.86 2kpn s VAL 28 N 1.04 1.74 0.35 3.12 1.01 -1.26 -5.00 120.40 121.39 2kpn s VAL 28 Ca -0.09 -2.14 0.05 0.00 0.00 0.00 0.00 61.98 59.80 2kpn s VAL 28 Cb -0.14 -2.28 0.17 0.00 0.00 0.00 0.00 36.38 34.13 2kpn s VAL 28 CO -0.01 -0.68 1.89 1.55 0.00 0.00 0.00 175.10 177.86 2kpn h PRO 29 N 7.57 0.50 0.00 2.72 0.13 -1.99 -2.78 132.00 138.15 2kpn h PRO 29 Ca -0.07 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2kpn h PRO 29 Cb 1.00 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2kpn h PRO 29 CO 0.52 0.52 0.00 -1.33 -0.23 0.00 0.00 178.00 177.48 2kpn n MET 30 N -4.29 0.36 -0.03 0.86 2.81 -1.26 -3.10 117.12 112.46 2kpn n MET 30 Ca 0.01 0.01 -0.19 0.00 -1.81 0.00 0.00 57.70 55.73 2kpn n MET 30 Cb 0.23 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.11 2kpn n MET 30 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kpn n ALA 31 N -1.32 1.09 -0.40 3.04 0.00 -1.05 -4.34 120.51 117.54 2kpn n ALA 31 Ca 0.13 -0.73 0.10 0.00 0.00 0.00 0.00 53.44 52.93 2kpn n ALA 31 Cb 0.25 -0.58 0.33 0.00 0.00 0.00 0.00 19.45 19.44 2kpn n ALA 31 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kpn n GLU 32 N -3.35 3.26 -4.95 0.00 1.02 -1.22 -4.86 120.64 110.53 2kpn n GLU 32 Ca -0.32 -2.65 -0.26 0.00 -0.02 0.00 0.00 57.16 53.90 2kpn n GLU 32 Cb 1.04 -1.75 -0.15 0.00 -0.02 0.00 0.00 31.44 30.55 2kpn n GLU 32 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2kpn s VAL 33 N -1.56 1.53 0.03 2.62 1.01 -1.18 -4.77 120.40 118.09 2kpn s VAL 33 Ca 0.48 -0.83 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 2kpn s VAL 33 Cb 0.29 -1.28 -0.00 0.00 0.00 0.00 0.00 36.38 35.39 2kpn s VAL 33 CO 0.27 0.43 0.15 -0.22 0.00 0.00 0.00 175.10 175.72 2kpn s LEU 34 N -0.46 1.57 -0.13 3.92 0.20 -1.06 -4.87 118.68 117.86 2kpn s LEU 34 Ca 0.07 -0.40 -0.05 0.00 0.69 0.00 0.00 54.13 54.44 2kpn s LEU 34 Cb -0.07 0.77 0.06 0.00 -0.43 0.00 0.00 46.19 46.51 2kpn s LEU 34 CO -0.01 -0.50 0.28 0.00 -0.29 0.00 0.00 176.35 175.83 2kpn s ALA 35 N -2.35 -0.63 -0.13 5.97 0.00 -1.26 0.12 121.76 123.47 2kpn s ALA 35 Ca -0.07 1.04 -0.00 0.00 0.00 0.00 0.00 51.96 52.93 2kpn s ALA 35 Cb -0.02 -0.86 0.03 0.00 0.00 0.00 0.00 23.12 22.26 2kpn s ALA 35 CO -0.03 -0.43 -0.09 0.42 0.00 0.00 0.00 175.76 175.63 2kpn s ILE 36 N 1.85 1.21 0.11 0.00 -1.09 -0.79 -0.60 121.20 121.90 2kpn s ILE 36 Ca -0.04 -0.46 -0.07 0.00 -2.23 0.00 0.00 60.65 57.85 2kpn s ILE 36 Cb -0.11 -1.22 -0.06 0.00 -1.58 0.00 0.00 42.46 39.49 2kpn s ILE 36 CO -0.09 0.35 0.39 -0.62 -1.23 0.00 0.00 174.94 173.74 2kpn s ASP 37 N 1.63 6.56 0.06 3.58 -1.08 0.61 -0.09 116.67 127.93 2kpn s ASP 37 Ca 0.04 0.69 -0.30 0.00 -0.52 0.00 0.00 52.55 52.46 2kpn s ASP 37 Cb -0.13 -2.13 -0.16 0.00 -1.46 0.00 0.00 42.92 39.03 2kpn s ASP 37 CO -0.09 0.10 1.46 0.50 0.52 0.00 0.00 175.17 177.67 2kpn h LYS 38 N 3.23 -0.98 0.15 4.34 3.64 -1.84 -1.27 116.57 123.84 2kpn h LYS 38 Ca -0.48 0.07 -0.36 0.00 -1.27 0.00 0.00 60.65 58.61 2kpn h LYS 38 Cb 1.18 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 33.21 2kpn h LYS 38 CO 0.69 -0.65 -1.90 1.05 -2.27 0.00 0.00 179.45 176.37 2kpn h GLU 39 N -1.02 0.31 0.00 1.90 9.09 -1.96 -3.35 114.58 119.54 2kpn h GLU 39 Ca -0.09 -0.53 -0.04 0.00 0.05 0.00 0.00 59.36 58.75 2kpn h GLU 39 Cb 0.81 0.20 -0.01 0.00 -1.65 0.00 0.00 28.75 28.10 2kpn h GLU 39 CO 0.11 1.24 -0.19 0.22 0.05 0.00 0.00 179.01 180.44 2kpn h ASP 40 N 0.08 0.00 0.00 3.06 3.58 -1.98 -3.49 116.42 117.68 2kpn h ASP 40 Ca -0.39 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.06 2kpn h ASP 40 Cb 2.06 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.11 2kpn h ASP 40 CO 0.12 0.19 0.00 0.61 -2.88 0.00 0.00 179.24 177.29 2kpn n GLY 41 N 0.09 0.04 3.68 -0.78 0.00 -0.48 -4.87 105.19 102.88 2kpn n GLY 41 Ca 0.00 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 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 6.72 -0.15 1.61 -1.08 -1.26 -0.28 116.67 118.23 2kpn s ASP 42 Ca 0.00 2.24 0.15 0.00 -0.52 0.00 0.00 52.55 54.42 2kpn s ASP 42 Cb 0.00 -2.55 0.34 0.00 -1.46 0.00 0.00 42.92 39.25 2kpn s ASP 42 CO 0.00 -0.84 1.17 0.18 0.52 0.00 0.00 175.17 176.20 2kpn n LEU 43 N 6.13 2.30 -0.32 -1.34 4.77 0.24 -4.81 117.00 123.96 2kpn n LEU 43 Ca 0.15 -3.27 -0.05 0.00 -0.03 0.00 0.00 56.01 52.82 2kpn n LEU 43 Cb 0.42 -0.43 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 2kpn n LEU 43 CO 0.61 0.98 1.14 0.74 -1.33 0.00 0.00 177.39 179.53 2kpn h THR 44 N 1.23 1.26 0.00 -5.08 2.02 -1.85 -1.08 112.91 109.40 2kpn h THR 44 Ca -0.01 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.49 2kpn h THR 44 Cb 1.07 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 2kpn h THR 44 CO 0.01 0.30 0.00 -0.24 0.37 0.00 0.00 175.52 175.95 2kpn n SER 45 N -4.34 0.00 0.02 4.18 2.88 -1.26 -2.56 113.62 112.54 2kpn n SER 45 Ca 0.09 -0.44 0.13 0.00 -1.33 0.00 0.00 58.87 57.31 2kpn n SER 45 Cb 0.12 -0.18 0.39 0.00 -0.75 0.00 0.00 64.21 63.78 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 -1.18 0.08 -2.07 -1.46 4.76 -0.41 -4.91 118.16 112.96 2kpn n LYS 46 Ca 0.18 0.04 -0.43 0.00 -2.87 0.00 0.00 58.31 55.23 2kpn n LYS 46 Cb 0.19 -1.57 -0.03 0.00 -1.84 0.00 0.00 35.03 31.79 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 -3.04 3.67 -0.21 -0.18 1.01 -1.06 -4.65 121.20 116.74 2kpn s ILE 47 Ca 0.11 0.79 -0.26 0.00 0.00 0.00 0.00 60.65 61.30 2kpn s ILE 47 Cb 0.17 -3.59 -0.01 0.00 0.01 0.00 0.00 42.46 39.04 2kpn s ILE 47 CO 0.63 -0.16 0.87 -0.75 0.00 0.00 0.00 174.94 175.53 2kpn s LYS 48 N 4.31 4.25 -0.33 2.79 2.47 0.98 -4.86 119.74 129.35 2kpn s LYS 48 Ca 0.72 1.06 -0.13 0.00 -1.56 0.00 0.00 55.97 56.06 2kpn s LYS 48 Cb -0.29 -3.61 -0.02 0.00 -1.46 0.00 0.00 37.83 32.44 2kpn s LYS 48 CO 0.28 -0.46 0.25 0.08 0.16 0.00 0.00 175.35 175.66 2kpn s VAL 49 N 2.61 5.28 -0.20 4.02 1.01 -1.26 -1.57 120.40 130.28 2kpn s VAL 49 Ca 0.38 -0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.23 2kpn s VAL 49 Cb -0.16 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 2kpn s VAL 49 CO 0.09 0.04 -0.02 -0.62 0.00 0.00 0.00 175.10 174.59 2kpn s ASP 50 N 1.73 4.61 0.00 3.32 2.15 0.33 -4.92 116.67 123.89 2kpn s ASP 50 Ca 0.07 -0.28 0.00 0.00 0.43 0.00 0.00 52.55 52.77 2kpn s ASP 50 Cb -0.17 -1.79 0.00 0.00 -0.30 0.00 0.00 42.92 40.66 2kpn s ASP 50 CO 0.11 0.04 0.00 0.61 -0.17 0.00 0.00 175.17 175.75 2kpn n GLY 51 N 4.42 2.13 3.00 2.66 0.00 -1.26 -0.39 105.19 115.75 2kpn n GLY 51 Ca -0.17 -2.02 -0.16 0.00 0.00 0.00 0.00 46.02 43.67 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 -1.61 0.51 -0.09 1.61 2.56 -1.26 -5.01 118.70 115.42 2kpn s GLU 52 Ca 0.00 -0.35 0.02 0.00 0.00 0.00 0.00 54.97 54.65 2kpn s GLU 52 Cb 0.00 -0.46 0.01 0.00 2.00 0.00 0.00 34.13 35.69 2kpn s GLU 52 CO 0.00 0.12 -0.15 0.08 -0.56 0.00 0.00 175.26 174.75 2kpn s VAL 53 N -0.42 1.39 -0.09 3.70 1.01 -1.26 -4.64 120.40 120.08 2kpn s VAL 53 Ca -0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 2kpn s VAL 53 Cb -0.04 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 2kpn s VAL 53 CO -0.00 0.41 -0.05 -0.62 0.00 0.00 0.00 175.10 174.85 2kpn s ASP 54 N 0.75 4.80 0.00 3.32 2.15 -1.26 -5.02 116.67 121.41 2kpn s ASP 54 Ca -0.12 -0.02 0.10 0.00 0.43 0.00 0.00 52.55 52.94 2kpn s ASP 54 Cb -0.16 -1.39 0.16 0.00 -0.30 0.00 0.00 42.92 41.23 2kpn s ASP 54 CO 0.03 0.32 0.99 0.35 -0.17 0.00 0.00 175.17 176.68 2kpn n THR 55 N 2.54 0.42 0.38 1.71 -2.24 -1.26 -4.51 114.28 111.32 2kpn n THR 55 Ca -0.18 -0.71 0.04 0.00 -2.27 0.00 0.00 64.05 60.93 2kpn n THR 55 Cb 0.53 0.91 -0.05 0.00 -2.10 0.00 0.00 70.33 69.62 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 0.50 0.00 -4.58 4.28 5.66 -1.26 -1.04 114.28 117.84 2kpn n THR 56 Ca 0.08 -0.30 -0.25 0.00 -3.05 0.00 0.00 64.05 60.54 2kpn n THR 56 Cb 0.32 0.97 -0.17 0.00 -1.55 0.00 0.00 70.33 69.90 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 -1.84 1.69 0.06 1.09 2.36 -1.26 -4.96 119.74 116.88 2kpn s LYS 57 Ca 0.03 -0.41 -0.31 0.00 -2.55 0.00 0.00 55.97 52.73 2kpn s LYS 57 Cb 0.06 -1.40 -0.07 0.00 -1.05 0.00 0.00 37.83 35.38 2kpn s LYS 57 CO 0.35 0.02 1.40 0.00 1.55 0.00 0.00 175.35 178.67 2kpn s ALA 58 N 0.67 3.58 0.00 3.13 0.00 -1.26 -4.87 121.76 123.01 2kpn s ALA 58 Ca -0.14 1.01 0.00 0.00 0.00 0.00 0.00 51.96 52.82 2kpn s ALA 58 Cb -0.16 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.40 2kpn s ALA 58 CO 0.04 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.44 2kpn n GLY 59 N 3.57 -0.19 3.62 0.00 0.00 0.02 -5.00 105.19 107.21 2kpn n GLY 59 Ca 0.12 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.00 5.33 -0.25 2.61 2.01 -1.26 -0.51 115.64 121.56 2kpn s THR 60 Ca 0.00 0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.19 2kpn s THR 60 Cb 0.00 -3.52 0.06 0.00 0.01 0.00 0.00 72.50 69.05 2kpn s THR 60 CO 0.00 0.29 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.83 2kpn s TYR 61 N 1.49 2.92 -0.18 4.92 2.02 0.55 -4.96 117.35 124.12 2kpn s TYR 61 Ca 0.07 -2.12 -0.16 0.00 -0.37 0.00 0.00 57.07 54.49 2kpn s TYR 61 Cb -0.15 -1.82 -0.04 0.00 -0.40 0.00 0.00 41.96 39.55 2kpn s TYR 61 CO 0.09 -0.84 0.41 0.08 -1.57 0.00 0.00 175.55 173.72 2kpn s VAL 62 N 1.22 5.20 0.13 0.71 1.01 -1.26 -0.20 120.40 127.21 2kpn s VAL 62 Ca -0.07 0.76 0.04 0.00 0.00 0.00 0.00 61.98 62.72 2kpn s VAL 62 Cb -0.19 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 2kpn s VAL 62 CO -0.06 0.28 0.12 -0.76 0.00 0.00 0.00 175.10 174.68 2kpn s LEU 63 N 1.06 3.83 -0.10 3.92 1.43 -0.05 -4.53 118.68 124.25 2kpn s LEU 63 Ca 0.21 -0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.28 2kpn s LEU 63 Cb -0.15 -2.47 0.00 0.00 0.03 0.00 0.00 46.19 43.61 2kpn s LEU 63 CO 0.08 0.11 -0.23 -0.89 0.23 0.00 0.00 176.35 175.65 2kpn s THR 64 N -1.61 1.97 -0.21 5.49 2.01 0.48 -0.72 115.64 123.05 2kpn s THR 64 Ca 0.30 -0.97 -0.02 0.00 0.31 0.00 0.00 61.69 61.32 2kpn s THR 64 Cb -0.11 -1.71 0.00 0.00 0.01 0.00 0.00 72.50 70.69 2kpn s THR 64 CO 0.23 0.54 -0.10 -0.31 -0.69 0.00 0.00 174.62 174.29 2kpn s TYR 65 N 0.40 2.89 -0.01 4.92 2.02 0.40 -0.51 117.35 127.46 2kpn s TYR 65 Ca -0.18 -1.24 0.06 0.00 -0.37 0.00 0.00 57.07 55.35 2kpn s TYR 65 Cb -0.18 -2.03 -0.02 0.00 -0.40 0.00 0.00 41.96 39.33 2kpn s TYR 65 CO 0.08 -0.66 -0.21 0.99 -1.57 0.00 0.00 175.55 174.18 2kpn s THR 66 N 1.40 1.64 -0.00 -0.71 2.01 -0.61 -0.81 115.64 118.56 2kpn s THR 66 Ca 0.05 -0.91 -0.01 0.00 0.31 0.00 0.00 61.69 61.13 2kpn s THR 66 Cb -0.14 -1.37 -0.00 0.00 0.01 0.00 0.00 72.50 71.00 2kpn s THR 66 CO -0.07 0.44 0.03 0.54 -0.69 0.00 0.00 174.62 174.87 2kpn s VAL 67 N -0.51 0.04 0.01 3.82 0.11 -0.44 -0.01 120.40 123.41 2kpn s VAL 67 Ca 0.08 -0.30 0.07 0.00 -2.93 0.00 0.00 61.98 58.90 2kpn s VAL 67 Cb -0.08 -0.14 -0.02 0.00 -1.53 0.00 0.00 36.38 34.61 2kpn s VAL 67 CO -0.01 -0.16 -0.22 -0.89 -3.33 0.00 0.00 175.10 170.49 2kpn s THR 68 N -0.49 1.78 0.57 5.04 2.01 -1.26 -1.83 115.64 121.47 2kpn s THR 68 Ca -0.05 -1.09 0.09 0.00 0.31 0.00 0.00 61.69 60.95 2kpn s THR 68 Cb -0.03 -1.51 0.08 0.00 0.01 0.00 0.00 72.50 71.05 2kpn s THR 68 CO -0.00 0.38 0.77 1.51 -0.69 0.00 0.00 174.62 176.60 2kpn s ASP 69 N -0.84 5.08 0.48 3.53 -4.77 -0.51 -4.94 116.67 114.70 2kpn s ASP 69 Ca 0.09 -0.87 0.21 0.00 -3.30 0.00 0.00 52.55 48.68 2kpn s ASP 69 Cb -0.09 0.31 1.24 0.00 -1.09 0.00 0.00 42.92 43.29 2kpn s ASP 69 CO 0.00 -1.33 1.96 -1.28 0.70 0.00 0.00 175.17 175.22 2kpn h SER 70 N 0.20 0.18 0.99 2.11 0.87 -1.95 -0.56 113.55 115.39 2kpn h SER 70 Ca -0.30 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 2kpn h SER 70 Cb 1.29 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 2kpn h SER 70 CO 0.42 0.09 -0.49 0.29 -0.53 0.00 0.00 176.83 176.61 2kpn n LYS 71 N -4.42 0.28 0.00 2.24 4.76 -1.26 -4.94 118.16 114.82 2kpn n LYS 71 Ca 0.12 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.67 2kpn n LYS 71 Cb 0.57 -1.71 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 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 1.33 1.11 3.68 0.72 0.00 -0.22 -5.08 105.19 106.74 2kpn n GLY 72 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 2.84 -0.26 1.61 3.76 -1.26 -4.76 115.29 115.21 2kpn s HIS 73 Ca 0.00 0.87 0.02 0.00 -0.15 0.00 0.00 55.06 55.80 2kpn s HIS 73 Cb 0.00 -3.61 0.07 0.00 1.11 0.00 0.00 32.58 30.14 2kpn s HIS 73 CO 0.00 -2.23 -0.07 -2.00 -0.85 0.00 0.00 174.74 169.59 2kpn s GLU 74 N 2.68 1.89 0.18 1.40 2.12 -1.26 -1.43 118.70 124.28 2kpn s GLU 74 Ca 0.62 -1.29 0.06 0.00 0.36 0.00 0.00 54.97 54.72 2kpn s GLU 74 Cb -0.29 -2.80 -0.04 0.00 0.26 0.00 0.00 34.13 31.26 2kpn s GLU 74 CO 0.24 -0.64 0.09 0.14 -0.54 0.00 0.00 175.26 174.56 2kpn s VAL 75 N 1.19 4.19 -0.17 3.70 -7.23 -0.76 -4.95 120.40 116.36 2kpn s VAL 75 Ca -0.05 -1.27 -0.14 0.00 -1.81 0.00 0.00 61.98 58.71 2kpn s VAL 75 Cb -0.19 -3.15 0.05 0.00 0.56 0.00 0.00 36.38 33.65 2kpn s VAL 75 CO -0.06 -0.15 0.45 0.28 -0.31 0.00 0.00 175.10 175.30 2kpn s THR 76 N -1.82 -0.01 0.00 5.32 -1.32 -1.26 -1.33 115.64 115.22 2kpn s THR 76 Ca 0.30 0.03 -0.03 0.00 -1.21 0.00 0.00 61.69 60.78 2kpn s THR 76 Cb -0.09 -0.64 -0.01 0.00 -1.51 0.00 0.00 72.50 70.25 2kpn s THR 76 CO 0.22 0.01 0.05 0.00 -2.21 0.00 0.00 174.62 172.69 2kpn s ALA 77 N 0.61 -0.09 0.22 11.08 0.00 0.01 -4.98 121.76 128.61 2kpn s ALA 77 Ca -0.03 -0.22 0.06 0.00 0.00 0.00 0.00 51.96 51.77 2kpn s ALA 77 Cb -0.05 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 2kpn s ALA 77 CO -0.04 -0.13 0.20 0.15 0.00 0.00 0.00 175.76 175.93 2kpn s LYS 78 N -0.97 2.98 -0.09 0.00 1.02 -1.26 -0.45 119.74 120.97 2kpn s LYS 78 Ca -0.11 -0.96 -0.03 0.00 0.02 0.00 0.00 55.97 54.89 2kpn s LYS 78 Cb -0.06 -2.63 0.05 0.00 -0.52 0.00 0.00 37.83 34.66 2kpn s LYS 78 CO 0.00 0.43 0.12 -1.14 -0.92 0.00 0.00 175.35 173.84 2kpn s GLN 79 N -3.61 0.01 -0.42 1.68 0.74 0.10 -4.49 119.66 113.66 2kpn s GLN 79 Ca 0.32 0.39 -0.26 0.00 0.05 0.00 0.00 55.36 55.86 2kpn s GLN 79 Cb -0.09 -0.63 0.02 0.00 1.10 0.00 0.00 33.01 33.42 2kpn s GLN 79 CO 0.25 -0.39 0.94 -0.08 -0.55 0.00 0.00 175.29 175.46 2kpn s THR 80 N 2.23 4.51 -0.52 -0.34 -1.32 -0.72 -0.87 115.64 118.62 2kpn s THR 80 Ca 0.04 0.97 -0.18 0.00 -1.21 0.00 0.00 61.69 61.31 2kpn s THR 80 Cb -0.13 -4.40 0.08 0.00 -1.51 0.00 0.00 72.50 66.54 2kpn s THR 80 CO -0.06 -0.71 0.56 -0.69 -2.21 0.00 0.00 174.62 171.51 2kpn s VAL 81 N 3.67 5.01 -0.37 5.08 1.01 0.72 -0.41 120.40 135.10 2kpn s VAL 81 Ca 0.38 -0.86 -0.19 0.00 0.00 0.00 0.00 61.98 61.32 2kpn s VAL 81 Cb -0.11 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.99 2kpn s VAL 81 CO 0.23 -0.80 0.53 -0.89 0.00 0.00 0.00 175.10 174.17 2kpn s THR 82 N 2.24 4.99 -0.33 3.92 2.01 0.85 -0.33 115.64 128.99 2kpn s THR 82 Ca 0.10 0.23 -0.15 0.00 0.31 0.00 0.00 61.69 62.17 2kpn s THR 82 Cb -0.23 -4.02 -0.02 0.00 0.01 0.00 0.00 72.50 68.25 2kpn s THR 82 CO 0.08 -0.31 0.38 -0.69 -0.69 0.00 0.00 174.62 173.39 2kpn s VAL 83 N 2.45 5.15 0.25 3.82 1.01 0.33 -1.83 120.40 131.58 2kpn s VAL 83 Ca 0.19 0.21 0.09 0.00 0.00 0.00 0.00 61.98 62.46 2kpn s VAL 83 Cb -0.15 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 2kpn s VAL 83 CO 0.14 -0.05 0.03 -1.59 0.00 0.00 0.00 175.10 173.63 2kpn s LYS 84 N 2.08 2.41 0.64 2.72 -2.85 -0.02 -0.80 119.74 123.92 2kpn s LYS 84 Ca 0.13 -1.31 -0.15 0.00 -1.00 0.00 0.00 55.97 53.64 2kpn s LYS 84 Cb -0.16 -2.25 -0.01 0.00 -2.06 0.00 0.00 37.83 33.34 2kpn s LYS 84 CO 0.11 0.39 1.10 0.08 0.10 0.00 0.00 175.35 177.13 2kpn s VAL 85 N -2.19 3.36 -0.08 1.79 1.01 -1.26 -0.79 120.40 122.24 2kpn s VAL 85 Ca 0.31 0.65 -0.12 0.00 0.00 0.00 0.00 61.98 62.82 2kpn s VAL 85 Cb -0.07 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 2kpn s VAL 85 CO 0.20 -0.38 0.29 0.00 0.00 0.00 0.00 175.10 175.21 2kpn s ARG 86 N -4.05 3.82 -0.92 2.72 1.70 -1.26 -4.71 118.95 116.24 2kpn s ARG 86 Ca 0.67 0.15 -0.22 0.00 -0.47 0.00 0.00 55.73 55.85 2kpn s ARG 86 Cb -0.20 -3.25 0.07 0.00 -0.57 0.00 0.00 34.95 31.00 2kpn s ARG 86 CO 0.40 0.63 1.30 -1.21 -1.08 0.00 0.00 175.30 175.34 2kpn s GLU 87 N -0.75 3.49 0.33 3.89 0.41 -1.26 -4.97 118.70 119.84 2kpn s GLU 87 Ca 0.19 -1.12 0.03 0.00 -0.41 0.00 0.00 54.97 53.66 2kpn s GLU 87 Cb -0.14 -4.97 -0.05 0.00 -1.78 0.00 0.00 34.13 27.19 2kpn s GLU 87 CO 0.08 -2.06 0.11 -1.83 -0.49 0.00 0.00 175.26 171.07 2kpn s GLU 88 N 4.44 1.66 -0.06 1.61 4.04 -1.26 -5.07 118.70 124.06 2kpn s GLU 88 Ca 0.39 -1.95 0.21 0.00 0.04 0.00 0.00 54.97 53.66 2kpn s GLU 88 Cb -0.04 -0.51 0.40 0.00 0.02 0.00 0.00 34.13 34.01 2kpn s GLU 88 CO -0.04 -0.34 1.17 1.33 -1.84 0.00 0.00 175.26 175.54 2kpn n VAL 89 N -0.67 0.64 0.91 1.83 0.24 -1.26 -4.90 118.33 115.11 2kpn n VAL 89 Ca -0.02 -1.59 0.00 0.00 -2.04 0.00 0.00 64.34 60.70 2kpn n VAL 89 Cb 0.66 0.61 0.02 0.00 -1.47 0.00 0.00 33.84 33.66 2kpn n VAL 89 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2kpn n LYS 90 N -0.00 1.22 -2.37 7.34 5.02 -1.26 -4.73 118.16 123.37 2kpn n LYS 90 Ca 0.09 -0.17 -0.36 0.00 -2.02 0.00 0.00 58.31 55.85 2kpn n LYS 90 Cb 0.99 -1.54 -0.03 0.00 -0.02 0.00 0.00 35.03 34.44 2kpn n LYS 90 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2kpn s ASN 91 N -0.06 6.07 -1.55 4.39 0.02 -1.26 -4.87 114.94 117.67 2kpn s ASN 91 Ca 0.03 -1.66 -0.11 0.00 -1.02 0.00 0.00 52.86 50.09 2kpn s ASN 91 Cb 0.02 -2.58 -0.03 0.00 0.02 0.00 0.00 41.25 38.69 2kpn s ASN 91 CO 0.01 -1.94 2.67 -0.90 0.02 0.00 0.00 177.10 176.95 2kpn n ASP 92 N 10.76 7.00 -3.58 -1.22 5.75 -1.26 -4.66 116.55 129.33 2kpn n ASP 92 Ca 0.42 -2.70 -0.21 0.00 -0.01 0.00 0.00 54.79 52.29 2kpn n ASP 92 Cb 0.48 -1.58 0.01 0.00 -1.03 0.00 0.00 41.12 39.00 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 4.37 -1.31 -2.17 0.11 4.76 -1.26 -4.89 118.16 117.76 2kpn n LYS 93 Ca 0.68 0.83 -0.43 0.00 -2.87 0.00 0.00 58.31 56.52 2kpn n LYS 93 Cb 0.29 -3.78 -0.02 0.00 -1.84 0.00 0.00 35.03 29.67 2kpn n LYS 93 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 2kpn s PRO 94 N -4.87 3.55 -0.05 1.97 0.02 -1.26 -4.88 135.00 129.48 2kpn s PRO 94 Ca 0.17 1.29 0.12 0.00 0.02 0.00 0.00 61.00 62.61 2kpn s PRO 94 Cb -0.07 -4.08 0.44 0.00 0.02 0.00 0.00 34.50 30.81 2kpn s PRO 94 CO 0.85 -1.59 1.32 0.44 -0.33 0.00 0.00 177.00 177.69 2kpn n ILE 95 N 7.02 0.98 -1.65 2.83 -6.64 -1.26 -4.95 119.36 115.68 2kpn n ILE 95 Ca 0.19 -0.70 -0.46 0.00 -1.77 0.00 0.00 62.75 60.01 2kpn n ILE 95 Cb 0.47 0.09 -0.03 0.00 -1.44 0.00 0.00 39.64 38.73 2kpn n ILE 95 CO 0.00 0.00 0.00 -0.11 -1.77 0.00 0.00 176.55 174.67 2kpn n LEU 96 N 0.70 2.78 -0.34 7.28 -0.00 -1.26 -5.34 117.00 120.81 2kpn n LEU 96 Ca 0.16 1.13 0.15 0.00 -0.00 0.00 0.00 56.01 57.45 2kpn n LEU 96 Cb 0.54 -1.38 0.65 0.00 -0.00 0.00 0.00 43.42 43.22 2kpn n LEU 96 CO 0.14 -0.63 0.94 -0.62 -0.00 0.00 0.00 177.39 177.22