#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 1.59 3.76 -5.12 0.00 -1.26 -4.95 105.19 99.21 2kpn n GLY 2 Ca 0.00 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 5.69 0.61 1.61 0.02 -1.26 -5.03 114.94 116.58 2kpn s ASN 3 Ca 0.00 2.44 -0.02 0.00 -1.02 0.00 0.00 52.86 54.26 2kpn s ASN 3 Cb 0.00 -2.61 0.04 0.00 0.02 0.00 0.00 41.25 38.70 2kpn s ASN 3 CO 0.00 -1.25 0.87 -0.83 0.02 0.00 0.00 177.10 175.90 2kpn s GLY 4 N -1.32 1.76 0.51 0.66 0.00 -1.26 -5.12 107.32 102.54 2kpn s GLY 4 Ca 0.69 -1.14 0.06 0.00 0.00 0.00 0.00 44.72 44.33 2kpn s GLY 4 CO 0.38 -0.81 0.41 -0.54 0.00 0.00 0.00 173.10 172.53 2kpn s GLU 5 N -4.95 2.32 -0.49 2.90 2.02 -1.26 -5.09 118.70 114.15 2kpn s GLU 5 Ca 0.58 -1.87 -0.24 0.00 0.02 0.00 0.00 54.97 53.47 2kpn s GLU 5 Cb -0.10 -2.20 0.03 0.00 0.10 0.00 0.00 34.13 31.96 2kpn s GLU 5 CO 0.41 -0.50 0.86 0.95 0.02 0.00 0.00 175.26 177.00 2kpn s THR 6 N -2.68 4.53 0.01 3.63 -4.23 -1.26 -5.04 115.64 110.60 2kpn s THR 6 Ca 0.40 0.38 -0.25 0.00 -1.18 0.00 0.00 61.69 61.03 2kpn s THR 6 Cb -0.02 -4.42 -0.05 0.00 1.34 0.00 0.00 72.50 69.35 2kpn s THR 6 CO 0.24 -0.89 0.78 -0.44 -0.54 0.00 0.00 174.62 173.77 2kpn s SER 7 N 2.46 7.18 0.32 3.99 0.01 -1.26 -5.05 113.70 121.35 2kpn s SER 7 Ca 0.31 1.41 -0.28 0.00 1.31 0.00 0.00 55.95 58.70 2kpn s SER 7 Cb -0.12 -2.47 -0.09 0.00 0.21 0.00 0.00 66.02 63.55 2kpn s SER 7 CO 0.21 -0.06 1.09 -0.62 0.41 0.00 0.00 173.24 174.27 2kpn s ASP 8 N 0.33 7.07 -0.27 2.44 -1.08 -1.26 -5.02 116.67 118.88 2kpn s ASP 8 Ca 0.40 2.21 -0.24 0.00 -0.52 0.00 0.00 52.55 54.40 2kpn s ASP 8 Cb -0.20 -2.61 -0.00 0.00 -1.46 0.00 0.00 42.92 38.64 2kpn s ASP 8 CO 0.22 -0.28 0.82 -0.76 0.52 0.00 0.00 175.17 175.69 2kpn s LEU 9 N -1.86 4.07 0.45 -1.34 1.43 -1.26 -5.04 118.68 115.14 2kpn s LEU 9 Ca 0.49 0.91 -0.24 0.00 -1.03 0.00 0.00 54.13 54.27 2kpn s LEU 9 Cb -0.29 -3.16 -0.07 0.00 0.03 0.00 0.00 46.19 42.70 2kpn s LEU 9 CO 0.37 -0.56 1.22 -1.83 0.23 0.00 0.00 176.35 175.79 2kpn s GLU 10 N 2.90 3.74 0.40 1.70 -1.05 -1.26 -4.74 118.70 120.39 2kpn s GLU 10 Ca 0.34 1.93 -0.24 0.00 -0.15 0.00 0.00 54.97 56.85 2kpn s GLU 10 Cb -0.15 -2.49 -0.09 0.00 -0.44 0.00 0.00 34.13 30.96 2kpn s GLU 10 CO 0.09 -0.61 1.04 -1.25 0.95 0.00 0.00 175.26 175.48 2kpn s PRO 11 N -2.58 4.18 -0.47 -4.83 0.04 -1.26 -4.91 135.00 125.17 2kpn s PRO 11 Ca 0.63 1.47 -0.23 0.00 0.04 0.00 0.00 61.00 62.91 2kpn s PRO 11 Cb -0.32 -2.52 0.03 0.00 0.04 0.00 0.00 34.50 31.72 2kpn s PRO 11 CO 0.40 -0.12 0.81 0.21 0.04 0.00 0.00 177.00 178.34 2kpn s LYS 12 N -2.53 3.38 -0.50 4.56 2.36 -0.22 -4.89 119.74 121.90 2kpn s LYS 12 Ca 0.58 -0.16 -0.20 0.00 -2.55 0.00 0.00 55.97 53.64 2kpn s LYS 12 Cb -0.21 -3.96 0.05 0.00 -1.05 0.00 0.00 37.83 32.66 2kpn s LYS 12 CO 0.26 -1.18 0.66 -1.17 1.55 0.00 0.00 175.35 175.47 2kpn s LEU 13 N 3.37 4.80 -0.44 5.43 2.96 -1.26 -2.09 118.68 131.45 2kpn s LEU 13 Ca 0.30 -0.77 -0.24 0.00 -0.22 0.00 0.00 54.13 53.19 2kpn s LEU 13 Cb -0.12 -2.53 0.02 0.00 0.50 0.00 0.00 46.19 44.06 2kpn s LEU 13 CO 0.22 -0.91 0.85 -0.89 -1.32 0.00 0.00 176.35 174.30 2kpn s THR 14 N 2.81 4.57 -0.03 3.68 2.01 0.10 -4.98 115.64 123.80 2kpn s THR 14 Ca 0.18 0.65 0.00 0.00 0.31 0.00 0.00 61.69 62.83 2kpn s THR 14 Cb -0.18 -4.36 0.03 0.00 0.01 0.00 0.00 72.50 68.00 2kpn s THR 14 CO 0.14 -0.73 0.01 -0.69 -0.69 0.00 0.00 174.62 172.65 2kpn s VAL 15 N 3.49 0.15 0.08 3.82 1.01 -1.26 -2.54 120.40 125.14 2kpn s VAL 15 Ca 0.34 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 62.14 2kpn s VAL 15 Cb -0.11 -0.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.95 2kpn s VAL 15 CO 0.24 0.15 1.05 -2.16 0.00 0.00 0.00 175.10 174.37 2kpn s PRO 16 N 1.18 4.57 0.41 2.72 0.04 -1.26 -4.95 135.00 137.71 2kpn s PRO 16 Ca -0.08 1.56 0.13 0.00 0.04 0.00 0.00 61.00 62.65 2kpn s PRO 16 Cb -0.13 -3.38 0.87 0.00 0.04 0.00 0.00 34.50 31.90 2kpn s PRO 16 CO -0.02 -0.01 1.93 -0.24 0.04 0.00 0.00 177.00 178.70 2kpn h VAL 17 N 4.34 1.18 -2.74 -0.36 3.04 -1.95 -3.39 116.25 116.37 2kpn h VAL 17 Ca -0.42 -0.83 -0.11 0.00 -1.01 0.00 0.00 66.70 64.33 2kpn h VAL 17 Cb 1.21 1.39 -0.23 0.00 -2.01 0.00 0.00 31.29 31.65 2kpn h VAL 17 CO 0.75 0.24 -0.21 -0.83 -1.01 0.00 0.00 177.57 176.52 2kpn s GLY 18 N -4.18 -0.30 0.04 3.17 0.00 -1.26 -0.81 107.32 103.99 2kpn s GLY 18 Ca -0.04 1.03 -0.01 0.00 0.00 0.00 0.00 44.72 45.69 2kpn s GLY 18 CO 0.71 0.84 -0.01 0.00 0.00 0.00 0.00 173.10 174.64 2kpn s ALA 19 N -0.17 0.37 -0.04 3.20 0.00 -0.15 -4.93 121.76 120.04 2kpn s ALA 19 Ca -0.03 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.91 2kpn s ALA 19 Cb -0.03 0.25 0.02 0.00 0.00 0.00 0.00 23.12 23.36 2kpn s ALA 19 CO 0.02 -0.33 -0.02 0.99 0.00 0.00 0.00 175.76 176.42 2kpn s THR 20 N -3.35 0.35 0.38 0.00 2.01 -1.26 -0.38 115.64 113.39 2kpn s THR 20 Ca 0.02 -0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.06 2kpn s THR 20 Cb 0.04 -0.42 -0.03 0.00 0.01 0.00 0.00 72.50 72.10 2kpn s THR 20 CO -0.08 0.19 0.16 0.27 -0.69 0.00 0.00 174.62 174.47 2kpn s ILE 21 N 1.06 0.46 0.21 1.82 -4.36 -0.42 -4.97 121.20 115.01 2kpn s ILE 21 Ca -0.09 -2.00 0.10 0.00 -0.26 0.00 0.00 60.65 58.40 2kpn s ILE 21 Cb -0.14 -2.40 -0.05 0.00 1.25 0.00 0.00 42.46 41.13 2kpn s ILE 21 CO -0.01 0.00 -0.20 -1.00 0.24 0.00 0.00 174.94 173.97 2kpn s HIS 22 N -3.31 2.07 0.17 1.37 3.76 -1.26 -0.62 115.29 117.48 2kpn s HIS 22 Ca 0.28 -0.41 -0.32 0.00 -0.15 0.00 0.00 55.06 54.46 2kpn s HIS 22 Cb 0.03 -0.98 -0.11 0.00 1.11 0.00 0.00 32.58 32.63 2kpn s HIS 22 CO 0.17 0.48 1.70 0.08 -0.85 0.00 0.00 174.74 176.33 2kpn s VAL 23 N -2.17 2.33 0.00 -0.90 1.01 0.11 -2.13 120.40 118.65 2kpn s VAL 23 Ca 0.22 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.35 2kpn s VAL 23 Cb -0.06 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.23 2kpn s VAL 23 CO 0.10 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.82 2kpn n GLY 24 N 3.98 2.47 3.90 4.51 0.00 0.15 -4.61 105.19 115.59 2kpn n GLY 24 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.30 3.04 -0.01 1.61 1.11 -0.90 -5.05 116.67 115.17 2kpn s ASP 25 Ca 0.00 0.35 -0.00 0.00 0.18 0.00 0.00 52.55 53.07 2kpn s ASP 25 Cb 0.00 -0.45 -0.04 0.00 1.07 0.00 0.00 42.92 43.50 2kpn s ASP 25 CO 0.00 -2.78 0.08 -0.44 1.18 0.00 0.00 175.17 173.20 2kpn s SER 26 N -4.77 5.67 -0.20 0.27 0.01 -1.26 -4.87 113.70 108.54 2kpn s SER 26 Ca 0.73 0.15 -0.04 0.00 1.31 0.00 0.00 55.95 58.09 2kpn s SER 26 Cb -0.05 -1.63 0.10 0.00 0.21 0.00 0.00 66.02 64.66 2kpn s SER 26 CO 0.53 0.28 0.31 0.12 0.41 0.00 0.00 173.24 174.89 2kpn s PHE 27 N -1.18 -0.58 -0.40 2.43 5.36 -1.26 -5.02 117.98 117.32 2kpn s PHE 27 Ca 0.22 0.75 -0.04 0.00 -0.96 0.00 0.00 56.93 56.90 2kpn s PHE 27 Cb -0.12 -0.07 0.10 0.00 -0.34 0.00 0.00 43.02 42.58 2kpn s PHE 27 CO 0.13 -0.59 0.20 0.08 -1.46 0.00 0.00 175.22 173.58 2kpn s VAL 28 N 2.46 3.50 0.23 3.12 1.01 -1.26 -5.00 120.40 124.46 2kpn s VAL 28 Ca 0.07 -1.82 -0.07 0.00 0.00 0.00 0.00 61.98 60.17 2kpn s VAL 28 Cb -0.14 -3.29 0.19 0.00 0.00 0.00 0.00 36.38 33.14 2kpn s VAL 28 CO -0.13 -0.58 1.83 1.55 0.00 0.00 0.00 175.10 177.77 2kpn h PRO 29 N 8.14 0.83 0.00 2.72 0.13 -2.00 -2.51 132.00 139.32 2kpn h PRO 29 Ca -0.17 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2kpn h PRO 29 Cb 1.06 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.00 2kpn h PRO 29 CO 0.70 0.55 0.00 -1.33 -0.23 0.00 0.00 178.00 177.69 2kpn n MET 30 N -4.69 0.12 0.19 0.86 2.81 -1.26 -3.07 117.12 112.09 2kpn n MET 30 Ca 0.11 0.12 0.13 0.00 -1.81 0.00 0.00 57.70 56.25 2kpn n MET 30 Cb 0.18 -1.65 0.27 0.00 -0.71 0.00 0.00 33.22 31.31 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 2.74 1.00 -0.21 3.04 0.00 -1.88 -3.25 119.26 120.71 2kpn h ALA 31 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kpn h ALA 31 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2kpn h ALA 31 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.64 2kpn n GLU 32 N -2.85 2.85 -4.50 0.00 1.02 -1.17 -4.96 120.64 111.02 2kpn n GLU 32 Ca 0.04 -1.81 -0.30 0.00 -0.02 0.00 0.00 57.16 55.07 2kpn n GLU 32 Cb 0.48 -1.16 -0.17 0.00 -0.02 0.00 0.00 31.44 30.57 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 -0.99 1.74 0.24 2.62 1.01 -1.20 -4.76 120.40 119.06 2kpn s VAL 33 Ca 0.14 -0.78 0.12 0.00 0.00 0.00 0.00 61.98 61.45 2kpn s VAL 33 Cb 0.07 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 2kpn s VAL 33 CO 0.10 0.49 -0.21 -0.76 0.00 0.00 0.00 175.10 174.72 2kpn s LEU 34 N 0.96 2.55 -0.14 3.92 1.02 -1.05 -4.88 118.68 121.06 2kpn s LEU 34 Ca -0.06 -0.95 -0.06 0.00 0.02 0.00 0.00 54.13 53.09 2kpn s LEU 34 Cb -0.15 -1.15 0.07 0.00 0.02 0.00 0.00 46.19 44.97 2kpn s LEU 34 CO -0.03 0.07 0.31 0.00 0.02 0.00 0.00 176.35 176.73 2kpn s ALA 35 N -2.16 -0.75 -0.05 4.21 0.00 -1.26 0.01 121.76 121.77 2kpn s ALA 35 Ca 0.26 1.15 0.02 0.00 0.00 0.00 0.00 51.96 53.39 2kpn s ALA 35 Cb -0.06 -0.99 0.01 0.00 0.00 0.00 0.00 23.12 22.08 2kpn s ALA 35 CO 0.13 -0.52 -0.08 0.42 0.00 0.00 0.00 175.76 175.71 2kpn s ILE 36 N 2.08 0.80 -0.12 0.00 -1.09 -0.89 0.16 121.20 122.15 2kpn s ILE 36 Ca -0.03 -0.31 0.01 0.00 -2.23 0.00 0.00 60.65 58.09 2kpn s ILE 36 Cb -0.11 -0.76 -0.01 0.00 -1.58 0.00 0.00 42.46 40.00 2kpn s ILE 36 CO -0.10 0.27 -0.15 -0.62 -1.23 0.00 0.00 174.94 173.11 2kpn s ASP 37 N 0.64 3.82 0.43 3.58 2.15 -0.03 -1.06 116.67 126.20 2kpn s ASP 37 Ca -0.11 -0.36 0.10 0.00 0.43 0.00 0.00 52.55 52.61 2kpn s ASP 37 Cb -0.13 -1.49 0.92 0.00 -0.30 0.00 0.00 42.92 41.91 2kpn s ASP 37 CO 0.02 0.18 2.02 0.11 -0.17 0.00 0.00 175.17 177.33 2kpn h LYS 38 N 6.58 0.30 0.00 4.34 1.57 -1.85 0.21 116.57 127.71 2kpn h LYS 38 Ca -0.26 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.43 2kpn h LYS 38 Cb 1.21 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 2kpn h LYS 38 CO 0.53 0.29 -0.35 0.93 -0.57 0.00 0.00 179.45 180.28 2kpn h GLU 39 N 0.30 0.00 0.07 3.15 5.08 -1.96 -3.40 114.58 117.83 2kpn h GLU 39 Ca 0.07 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.22 2kpn h GLU 39 Cb 0.13 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.40 2kpn h GLU 39 CO -0.00 0.57 -0.86 0.22 -1.00 0.00 0.00 179.01 177.93 2kpn h ASP 40 N -1.00 0.63 0.00 1.42 3.58 -1.96 -3.51 116.42 115.58 2kpn h ASP 40 Ca -0.07 -0.83 0.00 0.00 0.42 0.00 0.00 57.03 56.54 2kpn h ASP 40 Cb 0.71 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.57 2kpn h ASP 40 CO -0.05 1.39 0.00 0.61 -2.88 0.00 0.00 179.24 178.32 2kpn n GLY 41 N 1.33 0.03 3.61 -0.78 0.00 0.73 -5.00 105.19 105.10 2kpn n GLY 41 Ca -0.12 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 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 6.26 0.00 1.61 2.15 -1.26 -0.85 116.67 120.58 2kpn s ASP 42 Ca 0.00 1.21 0.22 0.00 0.43 0.00 0.00 52.55 54.41 2kpn s ASP 42 Cb 0.00 -2.53 0.60 0.00 -0.30 0.00 0.00 42.92 40.68 2kpn s ASP 42 CO 0.00 -1.42 1.50 0.18 -0.17 0.00 0.00 175.17 175.26 2kpn n LEU 43 N 8.99 3.84 -0.18 -1.34 4.77 0.12 -4.48 117.00 128.72 2kpn n LEU 43 Ca 0.19 -1.91 0.02 0.00 -0.03 0.00 0.00 56.01 54.27 2kpn n LEU 43 Cb 0.47 -0.44 0.28 0.00 -2.33 0.00 0.00 43.42 41.40 2kpn n LEU 43 CO 0.68 0.94 1.23 0.74 -1.33 0.00 0.00 177.39 179.64 2kpn h THR 44 N 4.24 1.16 -0.03 -5.08 2.02 -1.48 0.97 112.91 114.72 2kpn h THR 44 Ca 0.00 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.86 2kpn h THR 44 Cb 0.98 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 2kpn h THR 44 CO 0.00 0.17 0.00 -1.20 0.37 0.00 0.00 175.52 174.86 2kpn n SER 45 N -4.44 0.33 -0.93 4.18 7.64 -1.26 -3.26 113.62 115.88 2kpn n SER 45 Ca 0.08 -1.38 0.10 0.00 1.01 0.00 0.00 58.87 58.68 2kpn n SER 45 Cb 0.06 -0.02 0.16 0.00 -1.01 0.00 0.00 64.21 63.40 2kpn n SER 45 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2kpn n LYS 46 N -0.61 2.16 -2.84 1.43 4.76 0.33 -4.97 118.16 118.42 2kpn n LYS 46 Ca 0.17 -2.00 -0.42 0.00 -2.87 0.00 0.00 58.31 53.18 2kpn n LYS 46 Cb 0.13 -1.42 -0.04 0.00 -1.84 0.00 0.00 35.03 31.86 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 -1.39 4.69 -0.19 -0.18 1.01 -1.20 -4.40 121.20 119.54 2kpn s ILE 47 Ca 0.30 1.36 -0.25 0.00 0.00 0.00 0.00 60.65 62.06 2kpn s ILE 47 Cb 0.18 -4.24 -0.01 0.00 0.01 0.00 0.00 42.46 38.40 2kpn s ILE 47 CO 0.26 -0.34 0.82 -0.75 0.00 0.00 0.00 174.94 174.93 2kpn s LYS 48 N 3.20 4.26 -0.09 2.79 2.20 0.58 -4.88 119.74 127.80 2kpn s LYS 48 Ca 0.37 0.97 -0.07 0.00 -0.36 0.00 0.00 55.97 56.88 2kpn s LYS 48 Cb -0.13 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 2kpn s LYS 48 CO 0.14 -0.38 0.18 0.08 -0.36 0.00 0.00 175.35 175.00 2kpn s VAL 49 N 2.35 5.45 0.09 4.02 1.01 -1.26 -1.37 120.40 130.68 2kpn s VAL 49 Ca 0.37 0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.61 2kpn s VAL 49 Cb -0.16 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 2kpn s VAL 49 CO 0.11 0.56 -0.14 -0.62 0.00 0.00 0.00 175.10 175.01 2kpn s ASP 50 N -1.20 1.78 0.00 3.32 2.15 0.65 -4.97 116.67 118.39 2kpn s ASP 50 Ca 0.18 -0.69 0.00 0.00 0.43 0.00 0.00 52.55 52.47 2kpn s ASP 50 Cb -0.13 -0.05 0.00 0.00 -0.30 0.00 0.00 42.92 42.44 2kpn s ASP 50 CO 0.08 -0.11 0.00 0.61 -0.17 0.00 0.00 175.17 175.58 2kpn n GLY 51 N 0.99 0.37 3.06 2.66 0.00 -1.26 -0.52 105.19 110.48 2kpn n GLY 51 Ca -0.19 -1.81 -0.12 0.00 0.00 0.00 0.00 46.02 43.90 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 -2.29 0.27 -0.07 1.61 2.12 -1.26 -4.94 118.70 114.13 2kpn s GLU 52 Ca 0.00 0.05 0.04 0.00 0.36 0.00 0.00 54.97 55.42 2kpn s GLU 52 Cb 0.00 0.12 -0.00 0.00 0.26 0.00 0.00 34.13 34.51 2kpn s GLU 52 CO 0.00 -0.05 -0.22 0.08 -0.54 0.00 0.00 175.26 174.54 2kpn s VAL 53 N -0.33 1.84 -0.11 3.70 1.01 -1.26 -4.78 120.40 120.47 2kpn s VAL 53 Ca -0.04 -0.92 -0.09 0.00 0.00 0.00 0.00 61.98 60.93 2kpn s VAL 53 Cb -0.03 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 2kpn s VAL 53 CO 0.01 0.51 0.21 -1.81 0.00 0.00 0.00 175.10 174.01 2kpn s ASP 54 N 0.17 6.46 -0.01 3.32 1.01 -1.26 -4.99 116.67 121.37 2kpn s ASP 54 Ca -0.11 0.55 0.18 0.00 0.71 0.00 0.00 52.55 53.88 2kpn s ASP 54 Cb -0.15 -2.12 -0.19 0.00 1.01 0.00 0.00 42.92 41.47 2kpn s ASP 54 CO 0.06 0.34 0.61 0.35 0.21 0.00 0.00 175.17 176.74 2kpn n THR 55 N 2.24 1.00 1.14 -1.27 -2.24 -1.26 -4.15 114.28 109.74 2kpn n THR 55 Ca -0.18 -0.69 0.12 0.00 -2.27 0.00 0.00 64.05 61.04 2kpn n THR 55 Cb 0.54 -0.54 0.30 0.00 -2.10 0.00 0.00 70.33 68.54 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 -2.74 0.00 -4.22 4.28 5.66 -1.26 -0.67 114.28 115.33 2kpn n THR 56 Ca -0.13 -0.08 -0.24 0.00 -3.05 0.00 0.00 64.05 60.54 2kpn n THR 56 Cb 0.85 0.38 -0.17 0.00 -1.55 0.00 0.00 70.33 69.84 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 -2.70 1.42 0.36 1.09 2.47 -1.26 -4.91 119.74 116.21 2kpn s LYS 57 Ca 0.19 -0.27 -0.26 0.00 -1.56 0.00 0.00 55.97 54.07 2kpn s LYS 57 Cb 0.18 -1.34 -0.09 0.00 -1.46 0.00 0.00 37.83 35.12 2kpn s LYS 57 CO 0.60 -0.12 1.06 0.00 0.16 0.00 0.00 175.35 177.06 2kpn s ALA 58 N 1.16 3.18 0.00 3.13 0.00 -1.26 -4.59 121.76 123.37 2kpn s ALA 58 Ca -0.06 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.66 2kpn s ALA 58 Cb -0.14 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.69 2kpn s ALA 58 CO -0.02 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 175.95 2kpn n GLY 59 N 0.61 2.74 3.71 0.00 0.00 -0.26 -4.97 105.19 107.02 2kpn n GLY 59 Ca 0.03 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.68 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 5.29 0.09 2.61 2.01 -1.26 -0.74 115.64 121.63 2kpn s THR 60 Ca 0.00 0.56 0.07 0.00 0.31 0.00 0.00 61.69 62.63 2kpn s THR 60 Cb 0.00 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 2kpn s THR 60 CO 0.00 0.36 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.79 2kpn s TYR 61 N 0.67 1.61 -0.25 4.92 2.02 0.40 -5.00 117.35 121.73 2kpn s TYR 61 Ca 0.16 -0.42 -0.00 0.00 -0.37 0.00 0.00 57.07 56.44 2kpn s TYR 61 Cb -0.13 -0.90 0.04 0.00 -0.40 0.00 0.00 41.96 40.57 2kpn s TYR 61 CO 0.05 0.15 -0.09 0.08 -1.57 0.00 0.00 175.55 174.17 2kpn s VAL 62 N -1.16 2.59 0.00 0.71 1.01 -1.26 -0.25 120.40 122.04 2kpn s VAL 62 Ca 0.04 -1.21 -0.09 0.00 0.00 0.00 0.00 61.98 60.72 2kpn s VAL 62 Cb -0.10 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 2kpn s VAL 62 CO 0.03 0.16 0.31 -0.76 0.00 0.00 0.00 175.10 174.84 2kpn s LEU 63 N 1.25 4.39 -0.06 3.92 1.43 0.56 -4.53 118.68 125.65 2kpn s LEU 63 Ca -0.02 0.68 0.06 0.00 -1.03 0.00 0.00 54.13 53.82 2kpn s LEU 63 Cb -0.17 -2.63 -0.01 0.00 0.03 0.00 0.00 46.19 43.40 2kpn s LEU 63 CO -0.05 0.28 -0.23 -0.89 0.23 0.00 0.00 176.35 175.68 2kpn s THR 64 N -1.23 2.26 -0.06 5.49 2.01 0.32 -0.48 115.64 123.94 2kpn s THR 64 Ca 0.26 -1.00 0.06 0.00 0.31 0.00 0.00 61.69 61.32 2kpn s THR 64 Cb -0.14 -1.83 -0.01 0.00 0.01 0.00 0.00 72.50 70.53 2kpn s THR 64 CO 0.14 0.57 -0.24 -0.31 -0.69 0.00 0.00 174.62 174.09 2kpn s TYR 65 N -0.25 2.39 -0.06 4.92 2.02 0.72 -0.26 117.35 126.83 2kpn s TYR 65 Ca -0.01 -0.76 0.00 0.00 -0.37 0.00 0.00 57.07 55.94 2kpn s TYR 65 Cb -0.13 -1.58 0.02 0.00 -0.40 0.00 0.00 41.96 39.88 2kpn s TYR 65 CO 0.03 -0.25 -0.03 0.99 -1.57 0.00 0.00 175.55 174.72 2kpn s THR 66 N -0.05 0.51 -0.03 -0.71 2.01 -0.47 -1.35 115.64 115.56 2kpn s THR 66 Ca -0.06 -0.06 0.02 0.00 0.31 0.00 0.00 61.69 61.90 2kpn s THR 66 Cb -0.14 -0.58 0.00 0.00 0.01 0.00 0.00 72.50 71.79 2kpn s THR 66 CO 0.04 0.24 -0.09 0.54 -0.69 0.00 0.00 174.62 174.67 2kpn s VAL 67 N 1.27 0.76 -0.15 3.82 0.11 -0.13 -0.31 120.40 125.77 2kpn s VAL 67 Ca -0.05 -0.34 -0.04 0.00 -2.93 0.00 0.00 61.98 58.61 2kpn s VAL 67 Cb -0.14 -0.68 -0.03 0.00 -1.53 0.00 0.00 36.38 34.01 2kpn s VAL 67 CO -0.02 0.24 -0.02 -0.89 -3.33 0.00 0.00 175.10 171.08 2kpn s THR 68 N 0.21 4.09 0.86 5.04 2.01 -1.26 -0.54 115.64 126.04 2kpn s THR 68 Ca -0.03 -0.30 -0.12 0.00 0.31 0.00 0.00 61.69 61.56 2kpn s THR 68 Cb -0.08 -2.79 0.11 0.00 0.01 0.00 0.00 72.50 69.75 2kpn s THR 68 CO 0.00 0.51 1.10 -0.62 -0.69 0.00 0.00 174.62 174.93 2kpn s ASP 69 N 0.15 3.88 0.20 3.53 -1.08 0.78 -4.96 116.67 119.17 2kpn s ASP 69 Ca -0.00 1.26 -0.09 0.00 -0.52 0.00 0.00 52.55 53.20 2kpn s ASP 69 Cb -0.13 -1.94 0.14 0.00 -1.46 0.00 0.00 42.92 39.52 2kpn s ASP 69 CO 0.02 -2.35 1.77 -1.28 0.52 0.00 0.00 175.17 173.85 2kpn h SER 70 N -1.35 1.03 -0.52 -0.34 0.87 -1.95 -3.16 113.55 108.12 2kpn h SER 70 Ca -0.49 -0.17 -0.18 0.00 -1.23 0.00 0.00 61.79 59.72 2kpn h SER 70 Cb 1.29 -0.27 -0.11 0.00 -0.44 0.00 0.00 62.40 62.87 2kpn h SER 70 CO 0.59 0.92 0.13 0.29 -0.53 0.00 0.00 176.83 178.23 2kpn n LYS 71 N -4.33 2.73 0.00 2.24 5.02 -1.26 -4.95 118.16 117.61 2kpn n LYS 71 Ca 0.06 -3.05 0.00 0.00 -2.02 0.00 0.00 58.31 53.30 2kpn n LYS 71 Cb 0.18 -1.99 0.00 0.00 -0.02 0.00 0.00 35.03 33.20 2kpn n LYS 71 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kpn n GLY 72 N -0.68 0.76 3.57 0.72 0.00 -1.19 -4.96 105.19 103.40 2kpn n GLY 72 Ca 0.36 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 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 2.51 -0.32 1.61 3.76 -1.26 -4.77 115.29 114.83 2kpn s HIS 73 Ca 0.00 0.25 -0.10 0.00 -0.15 0.00 0.00 55.06 55.06 2kpn s HIS 73 Cb 0.00 -4.53 -0.01 0.00 1.11 0.00 0.00 32.58 29.14 2kpn s HIS 73 CO 0.00 -1.73 0.17 -2.00 -0.85 0.00 0.00 174.74 170.33 2kpn s GLU 74 N 5.15 3.39 0.08 1.40 2.12 -1.26 -0.16 118.70 129.42 2kpn s GLU 74 Ca 0.40 -0.69 0.05 0.00 0.36 0.00 0.00 54.97 55.09 2kpn s GLU 74 Cb -0.08 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.65 2kpn s GLU 74 CO 0.22 -0.41 -0.00 0.08 -0.54 0.00 0.00 175.26 174.61 2kpn s VAL 75 N 1.64 4.02 -0.02 3.70 1.01 0.30 -4.95 120.40 126.09 2kpn s VAL 75 Ca 0.05 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 2kpn s VAL 75 Cb -0.17 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.31 2kpn s VAL 75 CO 0.07 0.14 0.11 0.28 0.00 0.00 0.00 175.10 175.70 2kpn s THR 76 N -1.29 0.04 0.12 3.92 -1.32 -1.26 -0.96 115.64 114.88 2kpn s THR 76 Ca 0.25 -0.30 -0.10 0.00 -1.21 0.00 0.00 61.69 60.33 2kpn s THR 76 Cb -0.12 -0.26 0.00 0.00 -1.51 0.00 0.00 72.50 70.62 2kpn s THR 76 CO 0.18 -0.17 0.27 0.00 -2.21 0.00 0.00 174.62 172.69 2kpn s ALA 77 N -0.52 -0.32 0.12 11.08 0.00 -0.46 -5.00 121.76 126.65 2kpn s ALA 77 Ca -0.06 -0.57 0.07 0.00 0.00 0.00 0.00 51.96 51.40 2kpn s ALA 77 Cb -0.04 0.64 -0.04 0.00 0.00 0.00 0.00 23.12 23.68 2kpn s ALA 77 CO 0.00 -0.58 -0.17 0.15 0.00 0.00 0.00 175.76 175.16 2kpn s LYS 78 N -3.88 1.08 -0.07 0.00 1.02 -1.26 -0.20 119.74 116.43 2kpn s LYS 78 Ca 0.08 -1.21 0.02 0.00 0.02 0.00 0.00 55.97 54.87 2kpn s LYS 78 Cb 0.04 -1.14 0.02 0.00 -0.52 0.00 0.00 37.83 36.22 2kpn s LYS 78 CO -0.08 0.24 -0.09 -1.14 -0.92 0.00 0.00 175.35 173.36 2kpn s GLN 79 N -2.32 1.42 -0.43 1.68 0.74 0.37 -4.49 119.66 116.63 2kpn s GLN 79 Ca 0.08 -0.30 -0.17 0.00 0.05 0.00 0.00 55.36 55.02 2kpn s GLN 79 Cb -0.07 -1.26 0.03 0.00 1.10 0.00 0.00 33.01 32.80 2kpn s GLN 79 CO 0.04 -0.04 0.43 0.99 -0.55 0.00 0.00 175.29 176.15 2kpn s THR 80 N 0.88 5.11 -0.20 -0.34 2.01 0.01 -0.33 115.64 122.79 2kpn s THR 80 Ca -0.11 -0.49 -0.09 0.00 0.31 0.00 0.00 61.69 61.31 2kpn s THR 80 Cb -0.15 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.26 2kpn s THR 80 CO 0.01 -0.45 0.11 -0.69 -0.69 0.00 0.00 174.62 172.91 2kpn s VAL 81 N 2.05 5.21 -0.30 3.82 1.01 0.66 -0.98 120.40 131.87 2kpn s VAL 81 Ca 0.10 0.12 -0.06 0.00 0.00 0.00 0.00 61.98 62.14 2kpn s VAL 81 Cb -0.18 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.84 2kpn s VAL 81 CO 0.12 0.43 0.08 -0.89 0.00 0.00 0.00 175.10 174.84 2kpn s THR 82 N 0.49 3.87 -0.28 3.92 2.01 0.49 -0.46 115.64 125.68 2kpn s THR 82 Ca 0.06 -0.81 -0.18 0.00 0.31 0.00 0.00 61.69 61.08 2kpn s THR 82 Cb -0.12 -3.04 -0.02 0.00 0.01 0.00 0.00 72.50 69.33 2kpn s THR 82 CO -0.00 0.03 0.50 -0.69 -0.69 0.00 0.00 174.62 173.76 2kpn s VAL 83 N 1.47 5.07 0.25 3.82 1.01 0.08 -1.30 120.40 130.79 2kpn s VAL 83 Ca 0.02 0.72 0.09 0.00 0.00 0.00 0.00 61.98 62.81 2kpn s VAL 83 Cb -0.18 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 2kpn s VAL 83 CO 0.02 0.03 0.00 -0.54 0.00 0.00 0.00 175.10 174.61 2kpn s LYS 84 N 2.30 2.33 0.31 2.72 1.02 0.21 -1.10 119.74 127.52 2kpn s LYS 84 Ca 0.20 -1.35 -0.16 0.00 0.02 0.00 0.00 55.97 54.68 2kpn s LYS 84 Cb -0.16 -2.21 -0.09 0.00 -0.52 0.00 0.00 37.83 34.86 2kpn s LYS 84 CO 0.10 0.38 0.75 0.08 -0.92 0.00 0.00 175.35 175.74 2kpn s VAL 85 N -2.20 4.64 0.45 3.17 1.01 -1.26 -0.71 120.40 125.49 2kpn s VAL 85 Ca 0.31 1.05 -0.20 0.00 0.00 0.00 0.00 61.98 63.14 2kpn s VAL 85 Cb -0.07 -3.66 -0.10 0.00 0.00 0.00 0.00 36.38 32.54 2kpn s VAL 85 CO 0.20 -0.11 0.96 -0.13 0.00 0.00 0.00 175.10 176.01 2kpn s ARG 86 N -2.79 4.17 -0.45 2.72 1.81 -1.26 -4.82 118.95 118.33 2kpn s ARG 86 Ca 0.52 1.09 0.04 0.00 -1.72 0.00 0.00 55.73 55.66 2kpn s ARG 86 Cb -0.11 -2.17 0.62 0.00 -0.45 0.00 0.00 34.95 32.84 2kpn s ARG 86 CO 0.18 -0.08 1.87 0.39 -0.68 0.00 0.00 175.30 176.98 2kpn n GLU 87 N -0.83 2.26 -0.08 3.54 1.02 -1.26 -4.43 120.64 120.86 2kpn n GLU 87 Ca 0.07 -3.08 0.08 0.00 -0.02 0.00 0.00 57.16 54.21 2kpn n GLU 87 Cb 0.54 -2.15 0.12 0.00 -0.02 0.00 0.00 31.44 29.93 2kpn n GLU 87 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2kpn n GLU 88 N -1.12 1.72 -2.96 3.49 1.02 -1.26 -5.04 120.64 116.49 2kpn n GLU 88 Ca 0.57 -2.39 -0.41 0.00 -0.02 0.00 0.00 57.16 54.91 2kpn n GLU 88 Cb 1.49 -1.42 -0.05 0.00 -0.02 0.00 0.00 31.44 31.43 2kpn n GLU 88 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2kpn s VAL 89 N -2.50 4.90 0.00 2.62 -7.23 -1.26 -4.85 120.40 112.07 2kpn s VAL 89 Ca 0.27 1.45 0.00 0.00 -1.81 0.00 0.00 61.98 61.88 2kpn s VAL 89 Cb 0.23 -4.06 0.00 0.00 0.56 0.00 0.00 36.38 33.11 2kpn s VAL 89 CO 0.03 -0.01 0.00 0.29 -0.31 0.00 0.00 175.10 175.10 2kpn n LYS 90 N 5.64 0.00 -3.05 4.82 5.02 -1.26 -5.01 118.16 124.32 2kpn n LYS 90 Ca 0.03 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.11 2kpn n LYS 90 Cb 0.48 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.46 2kpn n LYS 90 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2kpn n ASN 91 N -2.29 2.20 -3.97 4.39 4.05 -1.26 -5.03 115.26 113.35 2kpn n ASN 91 Ca 0.00 -3.24 -0.42 0.00 0.45 0.00 0.00 54.58 51.37 2kpn n ASN 91 Cb 0.00 -0.59 0.00 0.00 1.23 0.00 0.00 39.78 40.42 2kpn n ASN 91 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 2kpn n ASP 92 N 0.06 4.18 -3.17 1.20 9.92 -1.26 -4.66 116.55 122.81 2kpn n ASP 92 Ca 0.27 -2.86 -0.16 0.00 -0.53 0.00 0.00 54.79 51.51 2kpn n ASP 92 Cb 0.58 -1.68 0.02 0.00 -0.64 0.00 0.00 41.12 39.39 2kpn n ASP 92 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2kpn n LYS 93 N 6.74 -1.76 -0.74 -1.24 4.76 -1.26 -4.80 118.16 119.86 2kpn n LYS 93 Ca 0.51 1.57 -0.12 0.00 -2.87 0.00 0.00 58.31 57.40 2kpn n LYS 93 Cb 0.41 -2.90 -0.10 0.00 -1.84 0.00 0.00 35.03 30.60 2kpn n LYS 93 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2kpn n PRO 94 N 0.39 1.64 -2.96 1.97 -0.02 -1.26 -4.91 135.00 129.85 2kpn n PRO 94 Ca -0.01 -0.90 -0.19 0.00 -2.02 0.00 0.00 63.50 60.38 2kpn n PRO 94 Cb 0.48 -2.00 0.02 0.00 -0.02 0.00 0.00 33.50 31.98 2kpn n PRO 94 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2kpn s ILE 95 N 1.92 3.06 0.00 4.25 -4.36 -1.26 -5.04 121.20 119.78 2kpn s ILE 95 Ca 0.47 -0.89 0.00 0.00 -0.26 0.00 0.00 60.65 59.97 2kpn s ILE 95 Cb 0.20 -3.06 0.00 0.00 1.25 0.00 0.00 42.46 40.85 2kpn s ILE 95 CO -0.01 -0.03 0.00 -0.11 0.24 0.00 0.00 174.94 175.03 2kpn n LEU 96 N -1.97 0.00 -0.02 0.37 7.94 -1.26 -5.26 117.00 116.79 2kpn n LEU 96 Ca 0.07 0.00 0.16 0.00 -1.11 0.00 0.00 56.01 55.13 2kpn n LEU 96 Cb 0.59 0.00 0.93 0.00 0.53 0.00 0.00 43.42 45.47 2kpn n LEU 96 CO 0.41 0.00 1.10 -0.62 -1.11 0.00 0.00 177.39 177.17