#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 -0.21 3.58 3.17 0.00 -1.26 -4.90 105.19 105.57 2kpn n GLY 2 Ca 0.00 0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.05 5.08 -1.14 1.61 -0.87 -1.26 -4.88 114.94 110.43 2kpn s ASN 3 Ca 0.18 1.61 -0.03 0.00 -1.57 0.00 0.00 52.86 53.04 2kpn s ASN 3 Cb -0.02 -2.51 0.25 0.00 -0.02 0.00 0.00 41.25 38.95 2kpn s ASN 3 CO 0.35 -2.30 1.94 0.61 -2.57 0.00 0.00 177.10 175.13 2kpn n GLY 4 N 5.86 5.64 3.80 0.66 0.00 -1.26 -5.01 105.19 114.89 2kpn n GLY 4 Ca 0.32 -2.41 -0.36 0.00 0.00 0.00 0.00 46.02 43.57 2kpn n GLY 4 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kpn s GLU 5 N -2.86 3.45 0.24 1.61 -1.05 -1.26 -5.11 118.70 113.73 2kpn s GLU 5 Ca 0.42 -0.22 -0.06 0.00 -0.15 0.00 0.00 54.97 54.97 2kpn s GLU 5 Cb 0.16 -3.13 -0.06 0.00 -0.44 0.00 0.00 34.13 30.67 2kpn s GLU 5 CO -0.07 0.68 0.51 0.99 0.95 0.00 0.00 175.26 178.31 2kpn s THR 6 N -0.76 5.04 0.07 1.83 2.01 -1.26 -5.10 115.64 117.47 2kpn s THR 6 Ca 0.13 0.11 -0.12 0.00 0.31 0.00 0.00 61.69 62.12 2kpn s THR 6 Cb -0.12 -3.69 -0.06 0.00 0.01 0.00 0.00 72.50 68.64 2kpn s THR 6 CO 0.03 -0.19 0.43 -0.55 -0.69 0.00 0.00 174.62 173.64 2kpn s SER 7 N -2.86 6.72 0.35 3.53 0.15 -1.26 -5.09 113.70 115.23 2kpn s SER 7 Ca 0.44 0.88 -0.08 0.00 0.70 0.00 0.00 55.95 57.89 2kpn s SER 7 Cb -0.11 -2.22 -0.06 0.00 -1.71 0.00 0.00 66.02 61.92 2kpn s SER 7 CO 0.27 0.20 0.67 -0.62 1.20 0.00 0.00 173.24 174.97 2kpn s ASP 8 N -1.56 6.51 -0.07 5.45 2.15 -1.26 -5.10 116.67 122.79 2kpn s ASP 8 Ca 0.31 0.96 0.03 0.00 0.43 0.00 0.00 52.55 54.28 2kpn s ASP 8 Cb -0.15 -2.25 -0.02 0.00 -0.30 0.00 0.00 42.92 40.20 2kpn s ASP 8 CO 0.17 -0.30 -0.13 -0.76 -0.17 0.00 0.00 175.17 173.98 2kpn s LEU 9 N -3.65 2.79 0.31 -1.34 1.43 -1.26 -5.10 118.68 111.86 2kpn s LEU 9 Ca 0.48 -0.20 -0.28 0.00 -1.03 0.00 0.00 54.13 53.10 2kpn s LEU 9 Cb -0.10 -1.58 -0.13 0.00 0.03 0.00 0.00 46.19 44.40 2kpn s LEU 9 CO 0.30 0.31 1.23 -1.84 0.23 0.00 0.00 176.35 176.58 2kpn n GLU 10 N 2.54 1.90 -1.20 1.70 0.00 -1.26 -4.75 120.64 119.56 2kpn n GLU 10 Ca -0.17 0.67 -0.31 0.00 0.00 0.00 0.00 57.16 57.35 2kpn n GLU 10 Cb 0.52 -2.20 0.10 0.00 0.00 0.00 0.00 31.44 29.86 2kpn n GLU 10 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 2kpn s PRO 11 N -1.58 2.09 -0.65 3.44 0.04 -1.26 -4.96 135.00 132.11 2kpn s PRO 11 Ca 0.58 1.18 -0.26 0.00 0.04 0.00 0.00 61.00 62.55 2kpn s PRO 11 Cb -0.62 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.09 2kpn s PRO 11 CO 0.60 -1.77 1.12 0.21 0.04 0.00 0.00 177.00 177.20 2kpn s LYS 12 N -4.88 3.26 -0.33 4.56 2.47 0.12 -4.94 119.74 119.99 2kpn s LYS 12 Ca 0.62 -0.30 -0.10 0.00 -1.56 0.00 0.00 55.97 54.62 2kpn s LYS 12 Cb -0.18 -4.14 -0.00 0.00 -1.46 0.00 0.00 37.83 32.05 2kpn s LYS 12 CO 0.56 -1.86 0.18 -1.17 0.16 0.00 0.00 175.35 173.23 2kpn s LEU 13 N 4.84 4.30 -0.37 5.43 2.96 -1.26 -0.60 118.68 133.97 2kpn s LEU 13 Ca 0.32 -0.59 -0.13 0.00 -0.22 0.00 0.00 54.13 53.52 2kpn s LEU 13 Cb -0.11 -2.03 0.01 0.00 0.50 0.00 0.00 46.19 44.56 2kpn s LEU 13 CO 0.16 -0.24 0.24 -0.89 -1.32 0.00 0.00 176.35 174.31 2kpn s THR 14 N 1.62 5.01 -0.06 3.68 2.01 0.68 -4.99 115.64 123.60 2kpn s THR 14 Ca 0.04 -0.57 0.04 0.00 0.31 0.00 0.00 61.69 61.51 2kpn s THR 14 Cb -0.17 -3.71 0.00 0.00 0.01 0.00 0.00 72.50 68.63 2kpn s THR 14 CO 0.07 -0.17 -0.17 -0.69 -0.69 0.00 0.00 174.62 172.98 2kpn s VAL 15 N 1.65 1.43 0.30 3.82 1.01 -1.26 -2.02 120.40 125.34 2kpn s VAL 15 Ca 0.04 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 2kpn s VAL 15 Cb -0.18 -1.25 -0.10 0.00 0.00 0.00 0.00 36.38 34.85 2kpn s VAL 15 CO 0.09 0.42 1.35 -2.16 0.00 0.00 0.00 175.10 174.79 2kpn s PRO 16 N 0.28 4.33 0.19 2.72 0.04 -1.26 -4.93 135.00 136.37 2kpn s PRO 16 Ca -0.09 2.24 0.01 0.00 0.04 0.00 0.00 61.00 63.19 2kpn s PRO 16 Cb -0.14 -3.08 0.11 0.00 0.04 0.00 0.00 34.50 31.43 2kpn s PRO 16 CO 0.04 -0.26 1.47 -0.24 0.04 0.00 0.00 177.00 178.05 2kpn h VAL 17 N 3.20 1.39 -2.99 -0.36 3.04 -1.95 -3.36 116.25 115.22 2kpn h VAL 17 Ca -0.48 -2.13 -0.11 0.00 -1.01 0.00 0.00 66.70 62.98 2kpn h VAL 17 Cb 1.22 2.10 -0.19 0.00 -2.01 0.00 0.00 31.29 32.41 2kpn h VAL 17 CO 0.69 0.63 -0.22 -0.83 -1.01 0.00 0.00 177.57 176.84 2kpn s GLY 18 N -4.33 -0.19 0.01 3.17 0.00 -1.26 -1.05 107.32 103.67 2kpn s GLY 18 Ca -0.05 0.35 0.01 0.00 0.00 0.00 0.00 44.72 45.03 2kpn s GLY 18 CO 0.82 0.13 -0.03 0.00 0.00 0.00 0.00 173.10 174.03 2kpn s ALA 19 N -1.60 0.17 -0.12 3.20 0.00 0.27 -4.89 121.76 118.80 2kpn s ALA 19 Ca -0.11 -0.32 -0.01 0.00 0.00 0.00 0.00 51.96 51.52 2kpn s ALA 19 Cb -0.04 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.15 2kpn s ALA 19 CO 0.03 -0.04 -0.04 0.99 0.00 0.00 0.00 175.76 176.70 2kpn s THR 20 N -0.65 0.83 0.34 0.00 2.01 -1.26 -0.41 115.64 116.49 2kpn s THR 20 Ca -0.06 -0.25 0.05 0.00 0.31 0.00 0.00 61.69 61.74 2kpn s THR 20 Cb -0.05 -0.94 -0.03 0.00 0.01 0.00 0.00 72.50 71.49 2kpn s THR 20 CO -0.00 0.26 0.21 0.27 -0.69 0.00 0.00 174.62 174.67 2kpn s ILE 21 N 1.78 0.21 -0.01 1.82 -4.36 -0.77 -5.00 121.20 114.87 2kpn s ILE 21 Ca 0.04 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.47 2kpn s ILE 21 Cb -0.13 -2.46 -0.01 0.00 1.25 0.00 0.00 42.46 41.11 2kpn s ILE 21 CO -0.07 0.00 -0.14 -1.00 0.24 0.00 0.00 174.94 173.97 2kpn s HIS 22 N -3.46 1.22 -0.23 1.37 3.76 -1.26 -0.86 115.29 115.83 2kpn s HIS 22 Ca 0.35 -0.24 -0.40 0.00 -0.15 0.00 0.00 55.06 54.62 2kpn s HIS 22 Cb 0.03 -0.78 -0.16 0.00 1.11 0.00 0.00 32.58 32.78 2kpn s HIS 22 CO 0.21 -0.02 1.64 0.28 -0.85 0.00 0.00 174.74 176.00 2kpn n VAL 23 N 2.70 0.21 0.00 -0.90 0.31 0.15 -2.40 118.33 118.40 2kpn n VAL 23 Ca -0.14 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 2kpn n VAL 23 Cb 0.55 -1.03 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 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 3.79 1.15 0.00 2.92 0.00 0.21 -4.72 105.19 108.55 2kpn n GLY 24 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2kpn n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kpn n ASP 25 N 0.00 0.12 -3.74 1.61 5.75 -1.01 -5.13 116.55 114.16 2kpn n ASP 25 Ca 0.00 -0.19 -0.27 0.00 -0.01 0.00 0.00 54.79 54.31 2kpn n ASP 25 Cb 0.00 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 39.92 2kpn n ASP 25 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2kpn s SER 26 N -0.90 2.77 -0.06 -1.12 0.01 -1.26 -4.99 113.70 108.16 2kpn s SER 26 Ca 0.00 -0.75 0.06 0.00 1.31 0.00 0.00 55.95 56.57 2kpn s SER 26 Cb 0.00 -0.58 -0.01 0.00 0.21 0.00 0.00 66.02 65.63 2kpn s SER 26 CO 0.00 -0.29 -0.23 0.12 0.41 0.00 0.00 173.24 173.25 2kpn s PHE 27 N 1.87 2.49 -0.24 2.43 5.36 -1.26 -5.12 117.98 123.51 2kpn s PHE 27 Ca -0.00 -0.60 0.02 0.00 -0.96 0.00 0.00 56.93 55.39 2kpn s PHE 27 Cb -0.17 -1.61 0.05 0.00 -0.34 0.00 0.00 43.02 40.96 2kpn s PHE 27 CO -0.08 -0.13 -0.11 0.08 -1.46 0.00 0.00 175.22 173.52 2kpn s VAL 28 N -0.27 2.00 0.09 3.12 1.01 -1.26 -5.04 120.40 120.05 2kpn s VAL 28 Ca -0.00 -1.41 -0.24 0.00 0.00 0.00 0.00 61.98 60.33 2kpn s VAL 28 Cb -0.13 -2.09 -0.14 0.00 0.00 0.00 0.00 36.38 34.03 2kpn s VAL 28 CO 0.03 0.05 1.72 1.55 0.00 0.00 0.00 175.10 178.46 2kpn h PRO 29 N 7.84 -0.08 0.00 2.72 0.13 -2.00 -3.07 132.00 137.54 2kpn h PRO 29 Ca -0.23 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2kpn h PRO 29 Cb 1.06 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2kpn h PRO 29 CO 0.48 -0.05 0.00 -1.33 -0.23 0.00 0.00 178.00 176.86 2kpn n MET 30 N -5.14 0.14 0.29 0.86 2.81 -1.26 -3.48 117.12 111.35 2kpn n MET 30 Ca -0.07 0.12 0.18 0.00 -1.81 0.00 0.00 57.70 56.12 2kpn n MET 30 Cb 0.07 -1.67 0.88 0.00 -0.71 0.00 0.00 33.22 31.79 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 2.73 1.06 -0.05 3.04 0.00 -1.97 -2.38 119.26 121.69 2kpn h ALA 31 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2kpn h ALA 31 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2kpn h ALA 31 CO 0.00 0.04 0.00 0.39 0.00 0.00 0.00 179.25 179.68 2kpn n GLU 32 N -3.22 1.23 -3.90 0.00 1.02 -1.23 -5.00 120.64 109.55 2kpn n GLU 32 Ca -0.01 -1.47 -0.30 0.00 -0.02 0.00 0.00 57.16 55.36 2kpn n GLU 32 Cb 0.21 -1.30 -0.04 0.00 -0.02 0.00 0.00 31.44 30.30 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 -1.24 5.35 -0.04 2.62 1.01 -0.90 -4.62 120.40 122.58 2kpn s VAL 33 Ca 0.19 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 61.64 2kpn s VAL 33 Cb 0.13 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.87 2kpn s VAL 33 CO 0.19 0.08 0.27 -0.22 0.00 0.00 0.00 175.10 175.42 2kpn s LEU 34 N -2.69 1.01 -0.10 3.92 0.20 -0.85 -5.01 118.68 115.16 2kpn s LEU 34 Ca 0.35 0.18 -0.05 0.00 0.69 0.00 0.00 54.13 55.31 2kpn s LEU 34 Cb -0.12 1.06 0.05 0.00 -0.43 0.00 0.00 46.19 46.74 2kpn s LEU 34 CO 0.28 -0.32 0.22 0.00 -0.29 0.00 0.00 176.35 176.24 2kpn s ALA 35 N -0.87 -0.47 -0.03 5.97 0.00 -1.26 -0.23 121.76 124.87 2kpn s ALA 35 Ca -0.09 0.90 0.02 0.00 0.00 0.00 0.00 51.96 52.78 2kpn s ALA 35 Cb -0.05 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.44 2kpn s ALA 35 CO 0.02 -0.25 -0.06 0.42 0.00 0.00 0.00 175.76 175.89 2kpn s ILE 36 N 1.42 0.59 -0.00 0.00 -1.09 0.23 -0.13 121.20 122.21 2kpn s ILE 36 Ca -0.08 -0.23 0.01 0.00 -2.23 0.00 0.00 60.65 58.13 2kpn s ILE 36 Cb -0.11 -0.56 -0.04 0.00 -1.58 0.00 0.00 42.46 40.18 2kpn s ILE 36 CO -0.08 0.21 0.02 -0.62 -1.23 0.00 0.00 174.94 173.24 2kpn s ASP 37 N 0.42 5.27 0.26 3.58 2.15 0.99 0.12 116.67 129.45 2kpn s ASP 37 Ca -0.06 0.03 -0.05 0.00 0.43 0.00 0.00 52.55 52.91 2kpn s ASP 37 Cb -0.10 -1.41 0.31 0.00 -0.30 0.00 0.00 42.92 41.42 2kpn s ASP 37 CO 0.00 0.28 1.92 0.50 -0.17 0.00 0.00 175.17 177.70 2kpn h LYS 38 N 4.30 1.27 0.00 4.34 3.64 -1.86 -1.86 116.57 126.40 2kpn h LYS 38 Ca -0.49 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 58.78 2kpn h LYS 38 Cb 1.18 -0.29 -0.00 0.00 -0.41 0.00 0.00 32.23 32.71 2kpn h LYS 38 CO 0.58 0.84 -0.25 0.93 -2.27 0.00 0.00 179.45 179.29 2kpn h GLU 39 N 1.31 0.00 0.04 1.90 5.08 -1.96 -3.42 114.58 117.53 2kpn h GLU 39 Ca 0.38 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.69 2kpn h GLU 39 Cb -0.08 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.18 2kpn h GLU 39 CO -0.10 0.42 -0.25 0.22 -1.00 0.00 0.00 179.01 178.30 2kpn h ASP 40 N -1.00 0.15 0.00 1.42 3.58 -1.99 -3.50 116.42 115.08 2kpn h ASP 40 Ca -0.05 -0.96 0.00 0.00 0.42 0.00 0.00 57.03 56.45 2kpn h ASP 40 Cb 0.55 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.55 2kpn h ASP 40 CO -0.03 1.10 0.00 0.61 -2.88 0.00 0.00 179.24 178.04 2kpn n GLY 41 N 1.55 1.06 3.61 -0.78 0.00 -0.70 -4.98 105.19 104.94 2kpn n GLY 41 Ca -0.11 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 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 6.61 -0.19 1.61 -1.08 -1.26 -0.01 116.67 118.35 2kpn s ASP 42 Ca 0.00 0.57 0.16 0.00 -0.52 0.00 0.00 52.55 52.76 2kpn s ASP 42 Cb 0.00 -2.39 0.50 0.00 -1.46 0.00 0.00 42.92 39.57 2kpn s ASP 42 CO 0.00 -0.59 1.40 0.18 0.52 0.00 0.00 175.17 176.67 2kpn n LEU 43 N 6.14 3.73 0.29 -1.34 4.77 0.81 -4.71 117.00 126.70 2kpn n LEU 43 Ca 0.02 -3.12 0.14 0.00 -0.03 0.00 0.00 56.01 53.02 2kpn n LEU 43 Cb 0.48 -0.54 0.87 0.00 -2.33 0.00 0.00 43.42 41.90 2kpn n LEU 43 CO 0.49 0.75 1.11 0.74 -1.33 0.00 0.00 177.39 179.16 2kpn h THR 44 N 1.47 0.60 0.00 -5.08 2.02 -1.82 0.17 112.91 110.26 2kpn h THR 44 Ca 0.03 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.19 2kpn h THR 44 Cb 1.42 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.84 2kpn h THR 44 CO 0.22 0.00 -0.18 -1.28 0.37 0.00 0.00 175.52 174.65 2kpn h SER 45 N 0.00 0.00 -0.03 4.18 0.87 -1.90 -3.23 113.55 113.43 2kpn h SER 45 Ca -0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2kpn h SER 45 Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2kpn h SER 45 CO 0.00 0.01 0.00 0.29 -0.53 0.00 0.00 176.83 176.60 2kpn n LYS 46 N -2.74 1.18 -2.67 2.24 4.76 0.58 -4.89 118.16 116.61 2kpn n LYS 46 Ca 0.04 -0.26 -0.40 0.00 -2.87 0.00 0.00 58.31 54.81 2kpn n LYS 46 Cb 0.50 -1.36 -0.05 0.00 -1.84 0.00 0.00 35.03 32.27 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 -1.96 3.98 -0.10 -0.18 1.01 -1.22 -3.34 121.20 119.38 2kpn s ILE 47 Ca 0.33 1.92 -0.04 0.00 0.00 0.00 0.00 60.65 62.86 2kpn s ILE 47 Cb 0.16 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 2kpn s ILE 47 CO 0.26 0.43 0.04 -0.75 0.00 0.00 0.00 174.94 174.92 2kpn s LYS 48 N -1.02 3.17 -0.28 2.79 2.20 0.17 -4.91 119.74 121.85 2kpn s LYS 48 Ca 0.43 -0.33 -0.01 0.00 -0.36 0.00 0.00 55.97 55.70 2kpn s LYS 48 Cb -0.27 -2.93 0.05 0.00 -1.51 0.00 0.00 37.83 33.17 2kpn s LYS 48 CO 0.34 0.70 -0.03 0.08 -0.36 0.00 0.00 175.35 176.08 2kpn s VAL 49 N -0.84 2.84 -0.14 4.02 1.01 -1.26 -1.79 120.40 124.24 2kpn s VAL 49 Ca 0.13 -1.34 -0.04 0.00 0.00 0.00 0.00 61.98 60.73 2kpn s VAL 49 Cb -0.12 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 2kpn s VAL 49 CO 0.03 -0.03 -0.01 -0.62 0.00 0.00 0.00 175.10 174.47 2kpn s ASP 50 N 1.25 5.08 0.00 3.32 2.15 0.08 -5.00 116.67 123.55 2kpn s ASP 50 Ca -0.05 -0.00 0.00 0.00 0.43 0.00 0.00 52.55 52.93 2kpn s ASP 50 Cb -0.19 -1.71 0.00 0.00 -0.30 0.00 0.00 42.92 40.72 2kpn s ASP 50 CO -0.02 0.24 0.00 0.61 -0.17 0.00 0.00 175.17 175.82 2kpn n GLY 51 N 3.09 -0.88 3.52 2.66 0.00 -1.26 -1.01 105.19 111.30 2kpn n GLY 51 Ca -0.18 -1.64 -0.17 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.43 1.01 -0.08 1.61 2.12 -1.26 -4.88 118.70 114.79 2kpn s GLU 52 Ca 0.00 0.32 -0.12 0.00 0.36 0.00 0.00 54.97 55.54 2kpn s GLU 52 Cb 0.00 0.48 -0.05 0.00 0.26 0.00 0.00 34.13 34.82 2kpn s GLU 52 CO 0.00 -0.29 0.28 0.08 -0.54 0.00 0.00 175.26 174.79 2kpn s VAL 53 N -1.01 5.27 -0.12 3.70 1.01 -1.26 -4.91 120.40 123.08 2kpn s VAL 53 Ca -0.10 0.54 -0.04 0.00 0.00 0.00 0.00 61.98 62.38 2kpn s VAL 53 Cb -0.01 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 2kpn s VAL 53 CO 0.09 0.55 0.04 -0.62 0.00 0.00 0.00 175.10 175.15 2kpn s ASP 54 N -0.69 5.51 0.00 3.32 2.15 -1.26 -5.02 116.67 120.69 2kpn s ASP 54 Ca 0.19 0.17 0.14 0.00 0.43 0.00 0.00 52.55 53.47 2kpn s ASP 54 Cb -0.14 -1.73 0.36 0.00 -0.30 0.00 0.00 42.92 41.12 2kpn s ASP 54 CO 0.08 0.32 1.29 0.35 -0.17 0.00 0.00 175.17 177.03 2kpn n THR 55 N 2.56 0.88 0.41 1.71 -2.24 -1.26 -4.30 114.28 112.03 2kpn n THR 55 Ca -0.18 -0.94 0.04 0.00 -2.27 0.00 0.00 64.05 60.70 2kpn n THR 55 Cb 0.53 0.60 -0.05 0.00 -2.10 0.00 0.00 70.33 69.32 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 0.82 0.00 -4.58 4.28 5.66 -1.26 -0.61 114.28 118.59 2kpn n THR 56 Ca 0.14 -0.30 -0.23 0.00 -3.05 0.00 0.00 64.05 60.61 2kpn n THR 56 Cb 0.47 1.01 -0.16 0.00 -1.55 0.00 0.00 70.33 70.09 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 -1.79 1.46 0.12 1.09 2.20 -1.26 -4.96 119.74 116.60 2kpn s LYS 57 Ca 0.03 -0.42 -0.30 0.00 -0.36 0.00 0.00 55.97 54.93 2kpn s LYS 57 Cb 0.07 -1.27 -0.06 0.00 -1.51 0.00 0.00 37.83 35.06 2kpn s LYS 57 CO 0.35 0.11 1.04 0.00 -0.36 0.00 0.00 175.35 176.49 2kpn s ALA 58 N 0.36 3.30 0.00 3.13 0.00 -1.26 -4.83 121.76 122.46 2kpn s ALA 58 Ca -0.08 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.57 2kpn s ALA 58 Cb -0.12 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.67 2kpn s ALA 58 CO 0.02 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.03 2kpn n GLY 59 N 2.36 -0.97 3.42 0.00 0.00 -0.76 -4.98 105.19 104.26 2kpn n GLY 59 Ca 0.04 -1.19 -0.35 0.00 0.00 0.00 0.00 46.02 44.51 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 3.92 -0.18 2.61 2.01 -1.26 -0.52 115.64 120.22 2kpn s THR 60 Ca 0.00 -0.32 -0.02 0.00 0.31 0.00 0.00 61.69 61.67 2kpn s THR 60 Cb 0.00 -2.79 -0.01 0.00 0.01 0.00 0.00 72.50 69.71 2kpn s THR 60 CO 0.00 0.41 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.92 2kpn s TYR 61 N 1.23 2.87 -0.35 4.92 1.51 0.88 -4.96 117.35 123.45 2kpn s TYR 61 Ca 0.04 -0.93 -0.15 0.00 -1.01 0.00 0.00 57.07 55.02 2kpn s TYR 61 Cb -0.15 -1.97 -0.01 0.00 -0.11 0.00 0.00 41.96 39.73 2kpn s TYR 61 CO 0.01 -0.45 0.36 0.08 -1.11 0.00 0.00 175.55 174.44 2kpn s VAL 62 N 0.99 5.17 -0.17 0.71 1.01 -1.26 -1.29 120.40 125.55 2kpn s VAL 62 Ca -0.01 -0.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.86 2kpn s VAL 62 Cb -0.15 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 2kpn s VAL 62 CO -0.01 -0.13 0.10 -0.76 0.00 0.00 0.00 175.10 174.31 2kpn s LEU 63 N 2.00 4.10 -0.17 3.92 1.43 -0.38 -4.68 118.68 124.90 2kpn s LEU 63 Ca 0.11 0.23 -0.03 0.00 -1.03 0.00 0.00 54.13 53.41 2kpn s LEU 63 Cb -0.17 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 2kpn s LEU 63 CO 0.12 0.24 -0.05 -0.89 0.23 0.00 0.00 176.35 176.00 2kpn s THR 64 N -0.01 3.72 -0.14 5.49 2.01 -0.18 -0.70 115.64 125.82 2kpn s THR 64 Ca 0.08 -0.41 0.02 0.00 0.31 0.00 0.00 61.69 61.69 2kpn s THR 64 Cb -0.12 -2.63 0.00 0.00 0.01 0.00 0.00 72.50 69.76 2kpn s THR 64 CO 0.00 0.48 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.91 2kpn s TYR 65 N 0.58 2.71 -0.11 4.92 2.02 0.36 -0.75 117.35 127.09 2kpn s TYR 65 Ca -0.03 -1.11 0.00 0.00 -0.37 0.00 0.00 57.07 55.56 2kpn s TYR 65 Cb -0.15 -1.83 0.02 0.00 -0.40 0.00 0.00 41.96 39.60 2kpn s TYR 65 CO 0.03 -0.49 -0.10 0.99 -1.57 0.00 0.00 175.55 174.40 2kpn s THR 66 N 0.70 1.20 -0.03 -0.71 2.01 -0.74 -0.76 115.64 117.31 2kpn s THR 66 Ca -0.08 -0.42 0.02 0.00 0.31 0.00 0.00 61.69 61.52 2kpn s THR 66 Cb -0.16 -1.16 -0.03 0.00 0.01 0.00 0.00 72.50 71.16 2kpn s THR 66 CO 0.01 0.39 -0.08 0.54 -0.69 0.00 0.00 174.62 174.80 2kpn s VAL 67 N 1.41 3.60 -0.16 3.82 0.11 -0.19 0.42 120.40 129.41 2kpn s VAL 67 Ca 0.00 -0.66 -0.01 0.00 -2.93 0.00 0.00 61.98 58.39 2kpn s VAL 67 Cb -0.13 -2.51 -0.01 0.00 -1.53 0.00 0.00 36.38 32.19 2kpn s VAL 67 CO -0.06 0.49 -0.11 -0.89 -3.33 0.00 0.00 175.10 171.20 2kpn s THR 68 N -0.90 3.09 0.51 5.04 2.01 -1.21 -1.99 115.64 122.19 2kpn s THR 68 Ca 0.15 -0.63 -0.08 0.00 0.31 0.00 0.00 61.69 61.43 2kpn s THR 68 Cb -0.11 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 2kpn s THR 68 CO 0.04 0.50 0.87 -0.62 -0.69 0.00 0.00 174.62 174.72 2kpn s ASP 69 N 0.73 6.32 0.40 3.53 2.15 0.29 -4.92 116.67 125.16 2kpn s ASP 69 Ca -0.05 1.15 0.08 0.00 0.43 0.00 0.00 52.55 54.16 2kpn s ASP 69 Cb -0.15 -2.34 0.86 0.00 -0.30 0.00 0.00 42.92 40.99 2kpn s ASP 69 CO 0.02 -0.64 2.00 0.28 -0.17 0.00 0.00 175.17 176.66 2kpn h SER 70 N 0.27 0.51 -0.36 -0.34 0.02 -2.00 -1.24 113.55 110.41 2kpn h SER 70 Ca -0.46 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2kpn h SER 70 Cb 1.20 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2kpn h SER 70 CO 0.62 0.34 0.00 0.29 -1.14 0.00 0.00 176.83 176.94 2kpn n LYS 71 N -4.47 2.30 -0.42 3.45 4.01 -1.26 -4.88 118.16 116.89 2kpn n LYS 71 Ca 0.07 -1.49 0.00 0.00 -0.51 0.00 0.00 58.31 56.38 2kpn n LYS 71 Cb 0.20 -1.51 0.00 0.00 -0.51 0.00 0.00 35.03 33.21 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 0.85 0.78 3.58 0.72 0.00 -0.47 -5.03 105.19 105.62 2kpn n GLY 72 Ca 0.14 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 2.69 -0.19 1.61 3.76 -1.25 -4.83 115.29 115.09 2kpn s HIS 73 Ca 0.00 0.45 -0.03 0.00 -0.15 0.00 0.00 55.06 55.33 2kpn s HIS 73 Cb 0.00 -4.44 -0.02 0.00 1.11 0.00 0.00 32.58 29.24 2kpn s HIS 73 CO 0.00 -1.47 -0.05 -2.00 -0.85 0.00 0.00 174.74 170.37 2kpn s GLU 74 N 4.70 3.47 0.09 1.40 2.12 -1.26 -0.55 118.70 128.66 2kpn s GLU 74 Ca 0.43 -0.60 0.05 0.00 0.36 0.00 0.00 54.97 55.20 2kpn s GLU 74 Cb -0.08 -2.92 -0.03 0.00 0.26 0.00 0.00 34.13 31.36 2kpn s GLU 74 CO 0.27 0.00 -0.13 0.14 -0.54 0.00 0.00 175.26 175.00 2kpn s VAL 75 N 0.96 1.10 0.06 3.70 -7.23 -0.84 -5.00 120.40 113.14 2kpn s VAL 75 Ca -0.00 -1.49 0.02 0.00 -1.81 0.00 0.00 61.98 58.69 2kpn s VAL 75 Cb -0.15 -1.25 -0.03 0.00 0.56 0.00 0.00 36.38 35.52 2kpn s VAL 75 CO 0.01 -0.37 -0.07 0.28 -0.31 0.00 0.00 175.10 174.64 2kpn s THR 76 N -1.81 0.56 0.12 5.32 -1.32 -1.26 -1.02 115.64 116.23 2kpn s THR 76 Ca 0.02 -1.39 -0.10 0.00 -1.21 0.00 0.00 61.69 59.01 2kpn s THR 76 Cb -0.07 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.93 2kpn s THR 76 CO 0.02 -0.58 0.26 0.00 -2.21 0.00 0.00 174.62 172.10 2kpn s ALA 77 N -2.25 -0.28 0.20 11.08 0.00 0.06 -5.00 121.76 125.57 2kpn s ALA 77 Ca -0.02 -0.60 0.10 0.00 0.00 0.00 0.00 51.96 51.44 2kpn s ALA 77 Cb -0.04 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.67 2kpn s ALA 77 CO -0.02 -0.58 -0.20 0.15 0.00 0.00 0.00 175.76 175.12 2kpn s LYS 78 N -3.88 1.44 -0.06 0.00 1.02 -1.26 -0.49 119.74 116.50 2kpn s LYS 78 Ca 0.08 -1.54 0.02 0.00 0.02 0.00 0.00 55.97 54.54 2kpn s LYS 78 Cb 0.04 -1.54 0.02 0.00 -0.52 0.00 0.00 37.83 35.82 2kpn s LYS 78 CO -0.08 0.31 -0.09 -1.14 -0.92 0.00 0.00 175.35 173.43 2kpn s GLN 79 N -3.03 1.41 -0.51 1.68 0.74 0.13 -4.51 119.66 115.57 2kpn s GLN 79 Ca 0.21 -0.30 -0.17 0.00 0.05 0.00 0.00 55.36 55.15 2kpn s GLN 79 Cb -0.06 -1.26 0.08 0.00 1.10 0.00 0.00 33.01 32.88 2kpn s GLN 79 CO 0.09 -0.04 0.54 0.99 -0.55 0.00 0.00 175.29 176.32 2kpn s THR 80 N 0.88 5.03 -0.17 -0.34 2.01 -0.21 -1.25 115.64 121.59 2kpn s THR 80 Ca -0.11 -0.87 -0.11 0.00 0.31 0.00 0.00 61.69 60.91 2kpn s THR 80 Cb -0.15 -4.27 -0.05 0.00 0.01 0.00 0.00 72.50 68.04 2kpn s THR 80 CO 0.01 -0.78 0.18 -0.69 -0.69 0.00 0.00 174.62 172.66 2kpn s VAL 81 N 2.18 5.39 -0.19 3.82 1.01 -0.41 -0.56 120.40 131.63 2kpn s VAL 81 Ca 0.09 0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.39 2kpn s VAL 81 Cb -0.23 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.67 2kpn s VAL 81 CO 0.08 0.46 -0.16 -0.89 0.00 0.00 0.00 175.10 174.59 2kpn s THR 82 N 0.13 1.93 -0.23 3.92 2.01 0.45 -0.08 115.64 123.76 2kpn s THR 82 Ca 0.12 -0.99 -0.11 0.00 0.31 0.00 0.00 61.69 61.01 2kpn s THR 82 Cb -0.12 -1.83 -0.05 0.00 0.01 0.00 0.00 72.50 70.51 2kpn s THR 82 CO 0.01 0.40 0.20 -0.69 -0.69 0.00 0.00 174.62 173.85 2kpn s VAL 83 N 1.31 5.33 0.15 3.82 1.01 0.32 -1.84 120.40 130.50 2kpn s VAL 83 Ca 0.02 0.28 0.08 0.00 0.00 0.00 0.00 61.98 62.36 2kpn s VAL 83 Cb -0.14 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2kpn s VAL 83 CO -0.11 0.33 -0.11 -0.54 0.00 0.00 0.00 175.10 174.67 2kpn s LYS 84 N 1.10 2.05 0.55 2.72 1.02 -0.04 -1.83 119.74 125.30 2kpn s LYS 84 Ca 0.10 -1.17 -0.15 0.00 0.02 0.00 0.00 55.97 54.77 2kpn s LYS 84 Cb -0.14 -2.20 -0.06 0.00 -0.52 0.00 0.00 37.83 34.90 2kpn s LYS 84 CO 0.05 0.47 1.00 0.08 -0.92 0.00 0.00 175.35 176.03 2kpn s VAL 85 N -1.46 4.59 0.62 3.17 1.01 -1.26 -0.68 120.40 126.38 2kpn s VAL 85 Ca 0.23 1.10 -0.04 0.00 0.00 0.00 0.00 61.98 63.26 2kpn s VAL 85 Cb -0.10 -3.77 0.13 0.00 0.00 0.00 0.00 36.38 32.64 2kpn s VAL 85 CO 0.14 -0.85 0.84 0.54 0.00 0.00 0.00 175.10 175.77 2kpn n ARG 86 N -2.00 -0.29 -0.00 2.72 5.12 -1.26 -4.85 116.66 116.11 2kpn n ARG 86 Ca 0.06 -1.89 0.08 0.00 -1.93 0.00 0.00 57.85 54.17 2kpn n ARG 86 Cb 0.54 -0.68 -0.11 0.00 -1.16 0.00 0.00 32.46 31.05 2kpn n ARG 86 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2kpn n GLU 87 N -2.64 1.13 -3.37 5.56 1.02 -1.26 -4.98 120.64 116.09 2kpn n GLU 87 Ca 0.13 -0.08 -0.38 0.00 -0.02 0.00 0.00 57.16 56.80 2kpn n GLU 87 Cb 0.44 -1.31 -0.06 0.00 -0.02 0.00 0.00 31.44 30.50 2kpn n GLU 87 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2kpn s GLU 88 N -2.81 4.10 -0.53 3.49 8.01 -1.26 -5.03 118.70 124.68 2kpn s GLU 88 Ca -0.01 0.56 -0.28 0.00 0.01 0.00 0.00 54.97 55.25 2kpn s GLU 88 Cb 0.11 -3.26 0.01 0.00 -4.31 0.00 0.00 34.13 26.68 2kpn s GLU 88 CO 0.65 0.58 1.43 0.54 0.01 0.00 0.00 175.26 178.47 2kpn s VAL 89 N -0.81 3.80 -0.18 2.63 0.11 -1.26 -5.00 120.40 119.69 2kpn s VAL 89 Ca 0.26 0.71 -0.07 0.00 -2.93 0.00 0.00 61.98 59.95 2kpn s VAL 89 Cb -0.18 -4.37 -0.04 0.00 -1.53 0.00 0.00 36.38 30.26 2kpn s VAL 89 CO 0.15 -1.07 0.06 -0.54 -3.33 0.00 0.00 175.10 170.37 2kpn s LYS 90 N 5.43 3.96 -0.05 1.54 1.02 -1.26 -4.96 119.74 125.42 2kpn s LYS 90 Ca 0.55 -0.35 0.19 0.00 0.02 0.00 0.00 55.97 56.38 2kpn s LYS 90 Cb -0.11 -3.20 0.62 0.00 -0.52 0.00 0.00 37.83 34.62 2kpn s LYS 90 CO 0.27 0.28 1.53 0.09 -0.92 0.00 0.00 175.35 176.60 2kpn n ASN 91 N 3.51 4.12 -4.57 2.83 3.02 -1.26 -4.92 115.26 117.99 2kpn n ASN 91 Ca -0.17 -2.21 -0.25 0.00 -0.03 0.00 0.00 54.58 51.93 2kpn n ASN 91 Cb 0.52 -0.49 -0.07 0.00 -0.61 0.00 0.00 39.78 39.14 2kpn n ASN 91 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2kpn s ASP 92 N -1.01 4.72 -0.08 6.41 1.11 -1.26 -4.91 116.67 121.66 2kpn s ASP 92 Ca 0.46 -1.18 0.04 0.00 0.18 0.00 0.00 52.55 52.05 2kpn s ASP 92 Cb 0.27 -2.58 -0.00 0.00 1.07 0.00 0.00 42.92 41.68 2kpn s ASP 92 CO 0.27 -3.32 -0.22 -0.54 1.18 0.00 0.00 175.17 172.54 2kpn s LYS 93 N 7.09 2.57 -0.05 8.23 3.01 -1.26 -5.11 119.74 134.22 2kpn s LYS 93 Ca 0.73 -0.78 -0.30 0.00 -1.01 0.00 0.00 55.97 54.61 2kpn s LYS 93 Cb -0.04 -2.04 -0.07 0.00 -1.01 0.00 0.00 37.83 34.68 2kpn s LYS 93 CO 0.10 0.21 1.83 -1.25 0.51 0.00 0.00 175.35 176.75 2kpn s PRO 94 N 0.23 4.02 0.00 -1.68 0.04 -1.26 -4.87 135.00 131.48 2kpn s PRO 94 Ca -0.13 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.20 2kpn s PRO 94 Cb -0.16 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.28 2kpn s PRO 94 CO 0.06 -1.06 0.62 0.44 0.04 0.00 0.00 177.00 177.11 2kpn n ILE 95 N 5.82 0.38 -4.23 0.56 -5.35 -1.26 -4.81 119.36 110.47 2kpn n ILE 95 Ca 0.20 0.00 -0.29 0.00 -0.27 0.00 0.00 62.75 62.39 2kpn n ILE 95 Cb 0.43 -0.65 -0.04 0.00 -1.74 0.00 0.00 39.64 37.64 2kpn n ILE 95 CO 0.00 0.00 0.00 -1.48 -1.76 0.00 0.00 176.55 173.31 2kpn s LEU 96 N 0.00 2.56 0.00 7.28 0.05 -1.26 -5.36 118.68 121.95 2kpn s LEU 96 Ca 0.00 -1.40 0.19 0.00 0.05 0.00 0.00 54.13 52.98 2kpn s LEU 96 Cb 0.00 -1.03 1.16 0.00 -2.05 0.00 0.00 46.19 44.27 2kpn s LEU 96 CO 0.00 -0.98 1.55 -0.62 -0.55 0.00 0.00 176.35 175.75