#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 2.71 0.00 3.03 0.00 -1.26 -5.19 105.19 104.48 2kpn n GLY 2 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 1.73 0.00 1.61 4.13 -1.26 -5.13 115.26 116.34 2kpn n ASN 3 Ca 0.00 -0.89 0.00 0.00 1.68 0.00 0.00 54.58 55.37 2kpn n ASN 3 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 2kpn n ASN 3 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kpn n GLY 4 N 5.00 1.03 2.50 7.41 0.00 -1.26 -5.07 105.19 114.80 2kpn n GLY 4 Ca 0.00 0.21 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 2kpn n GLY 4 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kpn n GLU 5 N 0.00 -2.45 -3.97 1.61 0.00 -1.26 -5.02 120.64 109.54 2kpn n GLU 5 Ca 0.00 2.13 -0.30 0.00 0.00 0.00 0.00 57.16 58.98 2kpn n GLU 5 Cb 0.00 -4.61 -0.14 0.00 0.00 0.00 0.00 31.44 26.68 2kpn n GLU 5 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 2kpn s THR 6 N -1.67 2.48 0.36 6.31 2.01 -1.26 -5.10 115.64 118.77 2kpn s THR 6 Ca 0.07 -2.97 -0.27 0.00 0.31 0.00 0.00 61.69 58.84 2kpn s THR 6 Cb -0.02 -2.76 -0.09 0.00 0.01 0.00 0.00 72.50 69.64 2kpn s THR 6 CO 0.62 -0.73 1.18 -0.44 -0.69 0.00 0.00 174.62 174.57 2kpn s SER 7 N 0.14 6.73 -0.10 3.53 0.01 -1.26 -4.97 113.70 117.78 2kpn s SER 7 Ca 0.15 2.40 -0.30 0.00 1.31 0.00 0.00 55.95 59.52 2kpn s SER 7 Cb -0.23 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.34 2kpn s SER 7 CO -0.03 -0.53 1.29 -0.62 0.41 0.00 0.00 173.24 173.76 2kpn s ASP 8 N -0.94 6.94 -0.30 2.44 2.15 -1.26 -4.99 116.67 120.71 2kpn s ASP 8 Ca 0.53 1.83 -0.28 0.00 0.43 0.00 0.00 52.55 55.05 2kpn s ASP 8 Cb -0.33 -2.55 0.01 0.00 -0.30 0.00 0.00 42.92 39.76 2kpn s ASP 8 CO 0.42 -0.71 1.04 -0.76 -0.17 0.00 0.00 175.17 174.99 2kpn s LEU 9 N 3.00 3.98 0.45 -1.34 1.43 -1.26 -5.01 118.68 119.93 2kpn s LEU 9 Ca 0.58 1.07 -0.25 0.00 -1.03 0.00 0.00 54.13 54.49 2kpn s LEU 9 Cb -0.25 -3.50 -0.08 0.00 0.03 0.00 0.00 46.19 42.39 2kpn s LEU 9 CO 0.20 -0.82 1.45 -1.83 0.23 0.00 0.00 176.35 175.57 2kpn s GLU 10 N 3.51 3.70 0.59 1.70 -1.05 -1.26 -4.73 118.70 121.15 2kpn s GLU 10 Ca 0.44 2.46 -0.15 0.00 -0.15 0.00 0.00 54.97 57.57 2kpn s GLU 10 Cb -0.13 -2.68 -0.04 0.00 -0.44 0.00 0.00 34.13 30.84 2kpn s GLU 10 CO 0.13 -0.82 1.04 -1.25 0.95 0.00 0.00 175.26 175.31 2kpn s PRO 11 N -2.44 3.42 -0.62 -4.83 0.04 -1.26 -4.93 135.00 124.39 2kpn s PRO 11 Ca 0.61 1.13 -0.24 0.00 0.04 0.00 0.00 61.00 62.54 2kpn s PRO 11 Cb -0.45 -2.05 0.05 0.00 0.04 0.00 0.00 34.50 32.10 2kpn s PRO 11 CO 0.58 -0.72 1.00 0.21 0.04 0.00 0.00 177.00 178.10 2kpn s LYS 12 N -4.16 3.22 -0.50 4.56 2.47 0.63 -4.92 119.74 121.04 2kpn s LYS 12 Ca 0.62 -0.50 -0.20 0.00 -1.56 0.00 0.00 55.97 54.33 2kpn s LYS 12 Cb -0.15 -4.14 0.05 0.00 -1.46 0.00 0.00 37.83 32.13 2kpn s LYS 12 CO 0.37 -1.72 0.65 -1.17 0.16 0.00 0.00 175.35 173.65 2kpn s LEU 13 N 4.23 4.86 -0.43 5.43 2.96 -1.26 -1.21 118.68 133.27 2kpn s LEU 13 Ca 0.27 -0.82 -0.22 0.00 -0.22 0.00 0.00 54.13 53.14 2kpn s LEU 13 Cb -0.14 -2.49 0.02 0.00 0.50 0.00 0.00 46.19 44.08 2kpn s LEU 13 CO 0.15 -0.91 0.74 -0.89 -1.32 0.00 0.00 176.35 174.13 2kpn s THR 14 N 2.74 4.71 -0.02 3.68 2.01 0.13 -4.94 115.64 123.95 2kpn s THR 14 Ca 0.17 0.44 0.01 0.00 0.31 0.00 0.00 61.69 62.61 2kpn s THR 14 Cb -0.18 -4.26 0.01 0.00 0.01 0.00 0.00 72.50 68.08 2kpn s THR 14 CO 0.13 -0.62 -0.01 -0.69 -0.69 0.00 0.00 174.62 172.74 2kpn s VAL 15 N 3.13 0.16 -0.17 3.82 1.01 -1.26 -0.90 120.40 126.19 2kpn s VAL 15 Ca 0.28 0.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.98 2kpn s VAL 15 Cb -0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 36.38 36.04 2kpn s VAL 15 CO 0.21 0.10 1.19 -2.16 0.00 0.00 0.00 175.10 174.43 2kpn s PRO 16 N 0.53 4.26 0.52 2.72 0.04 -1.26 -4.93 135.00 136.88 2kpn s PRO 16 Ca -0.05 1.58 0.29 0.00 0.04 0.00 0.00 61.00 62.86 2kpn s PRO 16 Cb -0.08 -3.70 1.40 0.00 0.04 0.00 0.00 34.50 32.16 2kpn s PRO 16 CO -0.01 -0.65 2.02 -0.24 0.04 0.00 0.00 177.00 178.17 2kpn h VAL 17 N 5.42 0.40 -3.65 -0.36 3.04 -1.96 -3.37 116.25 115.76 2kpn h VAL 17 Ca -0.26 -0.63 -0.16 0.00 -1.01 0.00 0.00 66.70 64.64 2kpn h VAL 17 Cb 1.10 1.45 -0.22 0.00 -2.01 0.00 0.00 31.29 31.61 2kpn h VAL 17 CO 0.96 0.11 -0.57 -0.83 -1.01 0.00 0.00 177.57 176.23 2kpn s GLY 18 N -4.21 0.09 -0.01 3.17 0.00 -1.26 -0.68 107.32 104.42 2kpn s GLY 18 Ca -0.01 -0.21 -0.25 0.00 0.00 0.00 0.00 44.72 44.24 2kpn s GLY 18 CO 0.57 -0.31 0.57 0.00 0.00 0.00 0.00 173.10 173.93 2kpn s ALA 19 N -1.17 -1.46 -0.03 3.20 0.00 0.18 -4.83 121.76 117.64 2kpn s ALA 19 Ca -0.13 0.90 -0.01 0.00 0.00 0.00 0.00 51.96 52.73 2kpn s ALA 19 Cb -0.07 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.24 2kpn s ALA 19 CO 0.01 -0.41 0.04 0.99 0.00 0.00 0.00 175.76 176.38 2kpn s THR 20 N -1.70 -0.01 0.35 0.00 2.01 -1.26 -0.25 115.64 114.77 2kpn s THR 20 Ca -0.09 0.28 0.04 0.00 0.31 0.00 0.00 61.69 62.23 2kpn s THR 20 Cb -0.01 -0.17 -0.05 0.00 0.01 0.00 0.00 72.50 72.28 2kpn s THR 20 CO 0.05 0.15 0.08 0.27 -0.69 0.00 0.00 174.62 174.47 2kpn s ILE 21 N 1.61 0.99 0.34 1.82 -4.36 0.26 -4.93 121.20 116.93 2kpn s ILE 21 Ca -0.02 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.45 2kpn s ILE 21 Cb -0.13 -2.64 -0.04 0.00 1.25 0.00 0.00 42.46 40.90 2kpn s ILE 21 CO -0.03 0.00 0.17 -1.00 0.24 0.00 0.00 174.94 174.32 2kpn s HIS 22 N -3.28 2.73 0.11 1.37 3.76 -1.26 -0.75 115.29 117.96 2kpn s HIS 22 Ca 0.32 -0.38 -0.31 0.00 -0.15 0.00 0.00 55.06 54.54 2kpn s HIS 22 Cb 0.07 -1.68 -0.09 0.00 1.11 0.00 0.00 32.58 31.98 2kpn s HIS 22 CO 0.15 0.30 1.69 0.08 -0.85 0.00 0.00 174.74 176.11 2kpn s VAL 23 N -2.42 2.77 0.00 -0.90 1.01 -0.39 -1.73 120.40 118.74 2kpn s VAL 23 Ca 0.38 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.70 2kpn s VAL 23 Cb -0.03 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.14 2kpn s VAL 23 CO 0.23 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.95 2kpn n GLY 24 N 4.01 0.76 3.96 4.51 0.00 0.10 -4.75 105.19 113.77 2kpn n GLY 24 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 2kpn n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kpn s ASP 25 N -2.89 3.60 0.11 1.61 -1.08 -0.71 -5.10 116.67 112.22 2kpn s ASP 25 Ca 0.00 0.01 0.08 0.00 -0.52 0.00 0.00 52.55 52.12 2kpn s ASP 25 Cb 0.00 -0.19 -0.04 0.00 -1.46 0.00 0.00 42.92 41.23 2kpn s ASP 25 CO 0.00 -2.39 -0.14 -0.44 0.52 0.00 0.00 175.17 172.72 2kpn s SER 26 N -4.83 4.16 -0.17 -0.34 0.01 -1.26 -4.93 113.70 106.34 2kpn s SER 26 Ca 0.71 -0.48 -0.10 0.00 1.31 0.00 0.00 55.95 57.40 2kpn s SER 26 Cb -0.04 -0.70 0.06 0.00 0.21 0.00 0.00 66.02 65.54 2kpn s SER 26 CO 0.50 0.17 0.41 0.12 0.41 0.00 0.00 173.24 174.84 2kpn s PHE 27 N -1.21 -0.58 -0.31 2.43 5.36 -1.26 -5.01 117.98 117.40 2kpn s PHE 27 Ca 0.20 1.25 0.03 0.00 -0.96 0.00 0.00 56.93 57.45 2kpn s PHE 27 Cb -0.11 0.25 0.09 0.00 -0.34 0.00 0.00 43.02 42.91 2kpn s PHE 27 CO 0.12 -0.33 0.01 0.08 -1.46 0.00 0.00 175.22 173.65 2kpn s VAL 28 N 1.27 1.97 0.13 3.12 1.01 -1.26 -5.03 120.40 121.62 2kpn s VAL 28 Ca -0.09 -1.93 -0.18 0.00 0.00 0.00 0.00 61.98 59.78 2kpn s VAL 28 Cb -0.08 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 2kpn s VAL 28 CO -0.11 -0.43 1.78 1.55 0.00 0.00 0.00 175.10 177.89 2kpn h PRO 29 N 7.75 0.40 0.00 2.72 0.13 -2.00 -2.97 132.00 138.03 2kpn h PRO 29 Ca -0.10 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2kpn h PRO 29 Cb 1.03 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2kpn h PRO 29 CO 0.49 0.28 0.00 -1.33 -0.23 0.00 0.00 178.00 177.21 2kpn n MET 30 N -4.87 0.10 0.09 0.86 2.81 -1.26 -3.03 117.12 111.82 2kpn n MET 30 Ca -0.01 0.12 -0.05 0.00 -1.81 0.00 0.00 57.70 55.94 2kpn n MET 30 Cb 0.03 -1.62 -0.02 0.00 -0.71 0.00 0.00 33.22 30.91 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 2.75 0.57 -0.13 3.04 0.00 -1.96 -3.26 119.26 120.27 2kpn h ALA 31 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2kpn h ALA 31 Cb 0.55 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2kpn h ALA 31 CO 0.00 1.07 0.00 0.39 0.00 0.00 0.00 179.25 180.71 2kpn n GLU 32 N -3.52 2.19 -4.65 0.00 -0.58 -1.17 -4.89 120.64 108.02 2kpn n GLU 32 Ca -0.01 -1.76 -0.32 0.00 -0.42 0.00 0.00 57.16 54.66 2kpn n GLU 32 Cb 0.82 -1.47 -0.17 0.00 -0.57 0.00 0.00 31.44 30.06 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 -1.85 1.99 0.25 2.62 1.01 -1.20 -4.20 120.40 119.02 2kpn s VAL 33 Ca 0.33 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.43 2kpn s VAL 33 Cb 0.21 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 2kpn s VAL 33 CO 0.31 0.54 -0.06 -0.76 0.00 0.00 0.00 175.10 175.12 2kpn s LEU 34 N 0.83 2.43 -0.21 3.92 2.01 -0.08 -4.88 118.68 122.71 2kpn s LEU 34 Ca -0.07 -1.16 -0.08 0.00 0.01 0.00 0.00 54.13 52.83 2kpn s LEU 34 Cb -0.15 -0.54 0.09 0.00 0.01 0.00 0.00 46.19 45.59 2kpn s LEU 34 CO -0.02 -0.36 0.45 0.00 1.01 0.00 0.00 176.35 177.44 2kpn s ALA 35 N -3.12 -1.25 -0.05 4.21 0.00 -1.26 0.17 121.76 120.47 2kpn s ALA 35 Ca 0.28 1.63 0.02 0.00 0.00 0.00 0.00 51.96 53.89 2kpn s ALA 35 Cb 0.03 -1.29 0.01 0.00 0.00 0.00 0.00 23.12 21.87 2kpn s ALA 35 CO 0.10 -0.66 -0.10 0.42 0.00 0.00 0.00 175.76 175.52 2kpn s ILE 36 N 2.35 0.92 0.11 0.00 -1.09 -0.35 -0.50 121.20 122.65 2kpn s ILE 36 Ca -0.04 -0.38 0.07 0.00 -2.23 0.00 0.00 60.65 58.07 2kpn s ILE 36 Cb -0.11 -0.84 -0.04 0.00 -1.58 0.00 0.00 42.46 39.89 2kpn s ILE 36 CO -0.14 0.30 -0.10 -0.62 -1.23 0.00 0.00 174.94 173.15 2kpn s ASP 37 N 0.51 4.37 0.16 3.58 2.15 0.65 -0.27 116.67 127.83 2kpn s ASP 37 Ca -0.09 -0.41 -0.08 0.00 0.43 0.00 0.00 52.55 52.40 2kpn s ASP 37 Cb -0.13 -0.82 0.02 0.00 -0.30 0.00 0.00 42.92 41.69 2kpn s ASP 37 CO 0.02 0.17 1.47 0.50 -0.17 0.00 0.00 175.17 177.15 2kpn h LYS 38 N 3.51 0.75 0.00 4.34 3.64 -1.85 -1.65 116.57 125.31 2kpn h LYS 38 Ca -0.49 -0.45 -0.04 0.00 -1.27 0.00 0.00 60.65 58.40 2kpn h LYS 38 Cb 1.17 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 2kpn h LYS 38 CO 0.52 1.08 -0.26 0.93 -2.27 0.00 0.00 179.45 179.45 2kpn h GLU 39 N 0.58 0.00 0.20 1.90 3.07 -1.97 -3.40 114.58 114.97 2kpn h GLU 39 Ca 0.02 0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 58.61 2kpn h GLU 39 Cb 1.09 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 29.03 2kpn h GLU 39 CO 0.11 0.62 -1.21 0.22 -1.40 0.00 0.00 179.01 177.35 2kpn h ASP 40 N -1.00 0.67 0.00 1.42 3.58 -2.00 -3.50 116.42 115.60 2kpn h ASP 40 Ca -0.06 -0.93 0.00 0.00 0.42 0.00 0.00 57.03 56.46 2kpn h ASP 40 Cb 0.72 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.55 2kpn h ASP 40 CO -0.04 1.58 0.00 0.61 -2.88 0.00 0.00 179.24 178.52 2kpn n GLY 41 N 1.70 1.16 3.63 -0.78 0.00 -0.62 -4.97 105.19 105.31 2kpn n GLY 41 Ca -0.16 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.49 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 6.84 0.00 1.61 2.15 -1.26 -0.25 116.67 121.75 2kpn s ASP 42 Ca 0.00 0.89 0.10 0.00 0.43 0.00 0.00 52.55 53.97 2kpn s ASP 42 Cb 0.00 -2.51 0.10 0.00 -0.30 0.00 0.00 42.92 40.21 2kpn s ASP 42 CO 0.00 -0.85 0.85 0.18 -0.17 0.00 0.00 175.17 175.18 2kpn n LEU 43 N 6.79 1.92 -0.26 -1.34 4.77 0.35 -4.62 117.00 124.60 2kpn n LEU 43 Ca 0.10 -1.11 0.07 0.00 -0.03 0.00 0.00 56.01 55.04 2kpn n LEU 43 Cb 0.47 -0.02 0.32 0.00 -2.33 0.00 0.00 43.42 41.86 2kpn n LEU 43 CO 0.58 0.39 1.23 0.74 -1.33 0.00 0.00 177.39 179.00 2kpn h THR 44 N 1.88 0.97 0.00 -5.08 2.02 -1.45 0.32 112.91 111.58 2kpn h THR 44 Ca 0.00 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.89 2kpn h THR 44 Cb 0.44 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2kpn h THR 44 CO 0.00 0.15 0.00 -1.54 0.37 0.00 0.00 175.52 174.50 2kpn n SER 45 N -4.51 0.00 -0.95 4.18 3.41 -1.26 -2.47 113.62 112.01 2kpn n SER 45 Ca 0.14 0.49 0.11 0.00 -0.26 0.00 0.00 58.87 59.35 2kpn n SER 45 Cb 0.30 -0.50 0.12 0.00 -0.26 0.00 0.00 64.21 63.88 2kpn n SER 45 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2kpn n LYS 46 N -1.50 2.20 -2.35 4.33 5.02 0.09 -4.99 118.16 120.97 2kpn n LYS 46 Ca 0.04 -1.95 -0.41 0.00 -2.02 0.00 0.00 58.31 53.97 2kpn n LYS 46 Cb 0.21 -1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 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 -1.74 3.50 -0.13 -0.18 1.01 -1.03 -4.61 121.20 118.02 2kpn s ILE 47 Ca 0.29 1.27 -0.06 0.00 0.00 0.00 0.00 60.65 62.15 2kpn s ILE 47 Cb 0.19 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 2kpn s ILE 47 CO 0.29 0.20 0.10 -0.75 0.00 0.00 0.00 174.94 174.78 2kpn s LYS 48 N -0.27 3.52 -0.02 2.79 2.20 -0.40 -4.96 119.74 122.60 2kpn s LYS 48 Ca 0.53 -0.24 -0.10 0.00 -0.36 0.00 0.00 55.97 55.80 2kpn s LYS 48 Cb -0.33 -3.14 -0.05 0.00 -1.51 0.00 0.00 37.83 32.80 2kpn s LYS 48 CO 0.37 0.62 0.31 0.08 -0.36 0.00 0.00 175.35 176.37 2kpn s VAL 49 N -0.60 5.22 -0.01 4.02 1.01 -1.26 -2.36 120.40 126.42 2kpn s VAL 49 Ca 0.12 0.48 0.01 0.00 0.00 0.00 0.00 61.98 62.59 2kpn s VAL 49 Cb -0.12 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2kpn s VAL 49 CO 0.02 0.50 -0.04 -0.62 0.00 0.00 0.00 175.10 174.96 2kpn s ASP 50 N -1.30 0.54 0.00 3.32 2.15 0.26 -5.00 116.67 116.63 2kpn s ASP 50 Ca 0.24 -0.08 0.00 0.00 0.43 0.00 0.00 52.55 53.14 2kpn s ASP 50 Cb -0.14 -0.10 0.00 0.00 -0.30 0.00 0.00 42.92 42.37 2kpn s ASP 50 CO 0.12 0.03 0.00 0.61 -0.17 0.00 0.00 175.17 175.76 2kpn n GLY 51 N 3.17 -1.89 3.54 2.66 0.00 -1.26 -1.13 105.19 110.27 2kpn n GLY 51 Ca -0.15 -2.13 -0.14 0.00 0.00 0.00 0.00 46.02 43.60 2kpn n GLY 51 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kpn s GLU 52 N -0.31 0.79 -0.15 1.61 2.56 -1.26 -5.02 118.70 116.93 2kpn s GLU 52 Ca 0.00 0.77 0.01 0.00 0.00 0.00 0.00 54.97 55.75 2kpn s GLU 52 Cb 0.00 0.38 0.02 0.00 2.00 0.00 0.00 34.13 36.53 2kpn s GLU 52 CO 0.00 -0.13 -0.17 0.08 -0.56 0.00 0.00 175.26 174.48 2kpn s VAL 53 N 0.07 1.74 0.07 3.70 1.01 -1.26 -4.82 120.40 120.91 2kpn s VAL 53 Ca -0.02 -0.76 -0.25 0.00 0.00 0.00 0.00 61.98 60.96 2kpn s VAL 53 Cb -0.04 -1.59 -0.06 0.00 0.00 0.00 0.00 36.38 34.69 2kpn s VAL 53 CO 0.02 0.49 0.75 -1.81 0.00 0.00 0.00 175.10 174.55 2kpn s ASP 54 N 1.23 7.24 0.00 3.32 1.11 -1.26 -4.94 116.67 123.37 2kpn s ASP 54 Ca 0.01 1.47 0.21 0.00 0.18 0.00 0.00 52.55 54.42 2kpn s ASP 54 Cb -0.14 -2.47 0.04 0.00 1.07 0.00 0.00 42.92 41.42 2kpn s ASP 54 CO -0.08 0.08 1.07 0.35 1.18 0.00 0.00 175.17 177.76 2kpn n THR 55 N 2.47 0.00 -0.04 -1.27 -2.24 -1.26 -4.39 114.28 107.55 2kpn n THR 55 Ca -0.04 -0.34 -0.05 0.00 -2.27 0.00 0.00 64.05 61.36 2kpn n THR 55 Cb 0.50 1.30 -0.14 0.00 -2.10 0.00 0.00 70.33 69.88 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 0.28 1.19 -5.09 4.28 -2.24 -1.26 -0.73 114.28 110.71 2kpn n THR 56 Ca 0.10 -0.76 -0.29 0.00 -2.27 0.00 0.00 64.05 60.82 2kpn n THR 56 Cb 0.46 -0.56 -0.16 0.00 -2.10 0.00 0.00 70.33 67.98 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 -2.75 1.85 -0.07 -0.78 2.20 -1.26 -4.94 119.74 113.99 2kpn s LYS 57 Ca -0.07 -0.89 -0.29 0.00 -0.36 0.00 0.00 55.97 54.36 2kpn s LYS 57 Cb 0.08 -1.84 -0.02 0.00 -1.51 0.00 0.00 37.83 34.54 2kpn s LYS 57 CO 0.84 0.50 0.95 0.00 -0.36 0.00 0.00 175.35 177.27 2kpn s ALA 58 N -0.61 3.32 0.00 3.13 0.00 -1.26 -4.75 121.76 121.60 2kpn s ALA 58 Ca 0.09 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.42 2kpn s ALA 58 Cb -0.09 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.69 2kpn s ALA 58 CO -0.00 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.73 2kpn n GLY 59 N 3.07 1.93 3.69 0.00 0.00 0.35 -4.94 105.19 109.28 2kpn n GLY 59 Ca 0.06 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 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 5.03 -0.04 2.61 2.01 -1.26 -0.99 115.64 120.99 2kpn s THR 60 Ca 0.00 1.31 0.04 0.00 0.31 0.00 0.00 61.69 63.36 2kpn s THR 60 Cb 0.00 -3.99 -0.00 0.00 0.01 0.00 0.00 72.50 68.52 2kpn s THR 60 CO 0.00 0.17 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.62 2kpn s TYR 61 N 1.42 1.71 -0.31 4.92 2.02 0.68 -4.98 117.35 122.81 2kpn s TYR 61 Ca 0.33 -0.47 -0.07 0.00 -0.37 0.00 0.00 57.07 56.49 2kpn s TYR 61 Cb -0.16 -1.15 0.02 0.00 -0.40 0.00 0.00 41.96 40.27 2kpn s TYR 61 CO 0.13 -0.15 0.09 0.08 -1.57 0.00 0.00 175.55 174.14 2kpn s VAL 62 N -0.02 3.97 0.09 0.71 1.01 -1.26 -0.63 120.40 124.27 2kpn s VAL 62 Ca -0.02 -0.78 -0.19 0.00 0.00 0.00 0.00 61.98 60.99 2kpn s VAL 62 Cb -0.11 -3.10 -0.07 0.00 0.00 0.00 0.00 36.38 33.11 2kpn s VAL 62 CO 0.02 0.01 0.57 -0.76 0.00 0.00 0.00 175.10 174.95 2kpn s LEU 63 N 1.49 4.49 -0.12 3.92 1.43 -0.13 -4.81 118.68 124.94 2kpn s LEU 63 Ca 0.02 1.24 -0.01 0.00 -1.03 0.00 0.00 54.13 54.35 2kpn s LEU 63 Cb -0.18 -3.00 -0.02 0.00 0.03 0.00 0.00 46.19 43.02 2kpn s LEU 63 CO 0.03 0.23 -0.08 -0.89 0.23 0.00 0.00 176.35 175.87 2kpn s THR 64 N -1.19 3.55 -0.08 5.49 2.01 -0.29 -0.46 115.64 124.66 2kpn s THR 64 Ca 0.31 -0.50 0.04 0.00 0.31 0.00 0.00 61.69 61.86 2kpn s THR 64 Cb -0.19 -2.51 0.00 0.00 0.01 0.00 0.00 72.50 69.82 2kpn s THR 64 CO 0.19 0.53 -0.21 -0.31 -0.69 0.00 0.00 174.62 174.13 2kpn s TYR 65 N 0.06 2.27 -0.01 4.92 2.02 0.24 -0.58 117.35 126.27 2kpn s TYR 65 Ca -0.02 -0.87 0.01 0.00 -0.37 0.00 0.00 57.07 55.81 2kpn s TYR 65 Cb -0.14 -1.53 0.01 0.00 -0.40 0.00 0.00 41.96 39.90 2kpn s TYR 65 CO 0.03 -0.35 -0.01 0.99 -1.57 0.00 0.00 175.55 174.64 2kpn s THR 66 N 0.32 0.18 0.02 -0.71 2.01 -1.00 -0.84 115.64 115.63 2kpn s THR 66 Ca -0.15 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 61.84 2kpn s THR 66 Cb -0.17 -0.21 -0.02 0.00 0.01 0.00 0.00 72.50 72.12 2kpn s THR 66 CO 0.07 0.09 -0.06 0.54 -0.69 0.00 0.00 174.62 174.57 2kpn s VAL 67 N 0.40 0.43 -0.09 3.82 0.11 -0.55 -1.28 120.40 123.23 2kpn s VAL 67 Ca -0.04 -0.75 -0.04 0.00 -2.93 0.00 0.00 61.98 58.23 2kpn s VAL 67 Cb -0.06 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.29 2kpn s VAL 67 CO -0.01 -0.22 0.05 -0.89 -3.33 0.00 0.00 175.10 170.70 2kpn s THR 68 N -0.94 4.73 0.92 5.04 2.01 -1.26 -1.12 115.64 125.02 2kpn s THR 68 Ca -0.06 -0.10 -0.12 0.00 0.31 0.00 0.00 61.69 61.71 2kpn s THR 68 Cb -0.07 -3.02 0.14 0.00 0.01 0.00 0.00 72.50 69.56 2kpn s THR 68 CO 0.00 0.60 1.12 -0.62 -0.69 0.00 0.00 174.62 175.03 2kpn s ASP 69 N -0.97 3.37 0.24 3.53 -1.08 0.68 -4.93 116.67 117.52 2kpn s ASP 69 Ca 0.14 1.09 -0.04 0.00 -0.52 0.00 0.00 52.55 53.22 2kpn s ASP 69 Cb -0.12 -1.71 0.27 0.00 -1.46 0.00 0.00 42.92 39.90 2kpn s ASP 69 CO 0.03 -2.65 1.79 -1.28 0.52 0.00 0.00 175.17 173.58 2kpn h SER 70 N -1.56 0.93 -0.50 -0.34 0.87 -1.95 -2.88 113.55 108.12 2kpn h SER 70 Ca -0.51 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 59.88 2kpn h SER 70 Cb 1.32 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 2kpn h SER 70 CO 0.60 0.88 0.00 0.29 -0.53 0.00 0.00 176.83 178.07 2kpn n LYS 71 N -4.26 2.48 0.00 2.24 4.01 -1.26 -4.96 118.16 116.40 2kpn n LYS 71 Ca 0.05 -2.26 0.00 0.00 -0.51 0.00 0.00 58.31 55.59 2kpn n LYS 71 Cb 0.22 -1.51 0.00 0.00 -0.51 0.00 0.00 35.03 33.23 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 1.51 0.88 3.60 0.72 0.00 -1.09 -5.02 105.19 105.80 2kpn n GLY 72 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 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 1.89 -0.23 1.61 3.76 -1.26 -4.57 115.29 114.48 2kpn s HIS 73 Ca 0.00 0.64 -0.13 0.00 -0.15 0.00 0.00 55.06 55.42 2kpn s HIS 73 Cb 0.00 -4.15 -0.04 0.00 1.11 0.00 0.00 32.58 29.49 2kpn s HIS 73 CO 0.00 -2.77 0.27 -2.00 -0.85 0.00 0.00 174.74 169.40 2kpn s GLU 74 N 5.64 4.09 0.17 1.40 2.12 -1.26 -0.23 118.70 130.63 2kpn s GLU 74 Ca 0.76 -0.07 0.10 0.00 0.36 0.00 0.00 54.97 56.12 2kpn s GLU 74 Cb -0.20 -3.56 -0.04 0.00 0.26 0.00 0.00 34.13 30.58 2kpn s GLU 74 CO 0.33 -0.04 -0.21 0.14 -0.54 0.00 0.00 175.26 174.94 2kpn s VAL 75 N 1.33 2.04 0.02 3.70 -7.23 -0.28 -4.99 120.40 115.00 2kpn s VAL 75 Ca 0.13 -1.93 0.01 0.00 -1.81 0.00 0.00 61.98 58.38 2kpn s VAL 75 Cb -0.14 -1.94 -0.02 0.00 0.56 0.00 0.00 36.38 34.84 2kpn s VAL 75 CO 0.07 -0.20 -0.05 0.28 -0.31 0.00 0.00 175.10 174.89 2kpn s THR 76 N -1.78 0.27 -0.01 5.32 -1.32 -1.26 -1.48 115.64 115.38 2kpn s THR 76 Ca 0.17 -0.83 -0.13 0.00 -1.21 0.00 0.00 61.69 59.69 2kpn s THR 76 Cb -0.07 -0.37 0.02 0.00 -1.51 0.00 0.00 72.50 70.57 2kpn s THR 76 CO 0.08 -0.36 0.27 0.00 -2.21 0.00 0.00 174.62 172.39 2kpn s ALA 77 N -1.19 -0.67 0.28 11.08 0.00 -0.02 -5.01 121.76 126.23 2kpn s ALA 77 Ca -0.11 0.21 0.12 0.00 0.00 0.00 0.00 51.96 52.17 2kpn s ALA 77 Cb -0.08 0.09 -0.05 0.00 0.00 0.00 0.00 23.12 23.08 2kpn s ALA 77 CO -0.00 -0.25 -0.20 0.15 0.00 0.00 0.00 175.76 175.46 2kpn s LYS 78 N -1.38 1.67 -0.11 0.00 1.02 -1.26 -0.59 119.74 119.09 2kpn s LYS 78 Ca -0.14 -1.77 -0.01 0.00 0.02 0.00 0.00 55.97 54.08 2kpn s LYS 78 Cb -0.06 -1.75 0.03 0.00 -0.52 0.00 0.00 37.83 35.53 2kpn s LYS 78 CO 0.03 0.33 -0.06 -1.14 -0.92 0.00 0.00 175.35 173.59 2kpn s GLN 79 N -3.51 1.35 -0.57 1.68 0.74 0.39 -4.07 119.66 115.67 2kpn s GLN 79 Ca 0.30 -0.21 -0.22 0.00 0.05 0.00 0.00 55.36 55.28 2kpn s GLN 79 Cb -0.05 -1.51 0.06 0.00 1.10 0.00 0.00 33.01 32.61 2kpn s GLN 79 CO 0.15 -0.29 0.82 0.99 -0.55 0.00 0.00 175.29 176.41 2kpn s THR 80 N 1.75 4.57 -0.35 -0.34 2.01 0.15 -0.95 115.64 122.47 2kpn s THR 80 Ca 0.05 -0.23 -0.12 0.00 0.31 0.00 0.00 61.69 61.69 2kpn s THR 80 Cb -0.13 -4.49 0.00 0.00 0.01 0.00 0.00 72.50 67.89 2kpn s THR 80 CO -0.08 -1.10 0.22 -0.69 -0.69 0.00 0.00 174.62 172.28 2kpn s VAL 81 N 3.44 4.93 -0.38 3.82 1.01 0.20 0.47 120.40 133.89 2kpn s VAL 81 Ca 0.22 -0.48 -0.14 0.00 0.00 0.00 0.00 61.98 61.58 2kpn s VAL 81 Cb -0.17 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.61 2kpn s VAL 81 CO 0.14 -0.08 0.27 -0.89 0.00 0.00 0.00 175.10 174.54 2kpn s THR 82 N 1.65 5.23 -0.08 3.92 2.01 0.65 -0.23 115.64 128.77 2kpn s THR 82 Ca 0.05 -0.50 -0.16 0.00 0.31 0.00 0.00 61.69 61.38 2kpn s THR 82 Cb -0.18 -3.82 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 2kpn s THR 82 CO 0.08 -0.19 0.42 -0.69 -0.69 0.00 0.00 174.62 173.55 2kpn s VAL 83 N 1.69 5.15 0.08 3.82 1.01 -0.17 -0.57 120.40 131.41 2kpn s VAL 83 Ca 0.05 0.83 0.04 0.00 0.00 0.00 0.00 61.98 62.90 2kpn s VAL 83 Cb -0.18 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 2kpn s VAL 83 CO 0.10 0.43 -0.11 -1.59 0.00 0.00 0.00 175.10 173.93 2kpn s LYS 84 N -0.01 0.77 0.48 2.72 -2.85 0.07 -0.50 119.74 120.41 2kpn s LYS 84 Ca 0.23 -1.00 -0.21 0.00 -1.00 0.00 0.00 55.97 53.99 2kpn s LYS 84 Cb -0.15 -0.59 -0.09 0.00 -2.06 0.00 0.00 37.83 34.94 2kpn s LYS 84 CO 0.10 0.11 1.04 0.08 0.10 0.00 0.00 175.35 176.78 2kpn s VAL 85 N -1.81 3.79 -0.01 1.79 1.01 -1.26 -1.26 120.40 122.66 2kpn s VAL 85 Ca -0.00 1.14 -0.18 0.00 0.00 0.00 0.00 61.98 62.94 2kpn s VAL 85 Cb -0.07 -3.47 -0.34 0.00 0.00 0.00 0.00 36.38 32.50 2kpn s VAL 85 CO 0.01 -0.22 0.92 0.08 0.00 0.00 0.00 175.10 175.89 2kpn h ARG 86 N 1.65 0.43 -4.82 2.72 0.11 -1.96 -3.44 114.38 109.07 2kpn h ARG 86 Ca -0.49 -0.74 -0.66 0.00 0.10 0.00 0.00 59.98 58.18 2kpn h ARG 86 Cb 1.22 0.28 -0.20 0.00 1.11 0.00 0.00 29.97 32.37 2kpn h ARG 86 CO 0.59 1.36 -0.54 -1.21 0.10 0.00 0.00 179.97 180.27 2kpn s GLU 87 N -2.53 3.56 -1.11 0.08 2.02 -1.26 -5.03 118.70 114.43 2kpn s GLU 87 Ca -0.12 -0.57 -0.22 0.00 0.02 0.00 0.00 54.97 54.08 2kpn s GLU 87 Cb 0.03 -3.60 -0.00 0.00 0.10 0.00 0.00 34.13 30.65 2kpn s GLU 87 CO 0.89 -0.33 1.77 -1.83 0.02 0.00 0.00 175.26 175.78 2kpn s GLU 88 N 1.67 3.16 -0.64 1.61 -1.05 -1.26 -4.92 118.70 117.27 2kpn s GLU 88 Ca 0.06 -1.18 -0.26 0.00 -0.15 0.00 0.00 54.97 53.43 2kpn s GLU 88 Cb -0.17 -5.31 -0.02 0.00 -0.44 0.00 0.00 34.13 28.19 2kpn s GLU 88 CO 0.08 -2.98 1.87 0.08 0.95 0.00 0.00 175.26 175.26 2kpn s VAL 89 N 7.61 3.36 -0.70 1.83 1.01 -1.26 -4.77 120.40 127.48 2kpn s VAL 89 Ca 0.60 0.15 0.15 0.00 0.00 0.00 0.00 61.98 62.87 2kpn s VAL 89 Cb -0.01 -3.95 0.49 0.00 0.00 0.00 0.00 36.38 32.92 2kpn s VAL 89 CO 0.03 -0.92 1.41 2.29 0.00 0.00 0.00 175.10 177.92 2kpn n LYS 90 N 9.16 3.12 0.00 2.72 2.85 -1.26 -4.64 118.16 130.12 2kpn n LYS 90 Ca 0.22 -2.55 0.09 0.00 -1.05 0.00 0.00 58.31 55.02 2kpn n LYS 90 Cb 0.52 -1.64 0.54 0.00 -0.65 0.00 0.00 35.03 33.80 2kpn n LYS 90 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2kpn n ASN 91 N 0.30 0.00 0.00 -5.58 4.13 -1.26 -4.87 115.26 107.97 2kpn n ASN 91 Ca 0.19 -1.40 0.00 0.00 1.68 0.00 0.00 54.58 55.05 2kpn n ASN 91 Cb 0.71 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.95 2kpn n ASN 91 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2kpn n ASP 92 N -0.79 0.00 -4.66 6.41 2.03 -1.26 -4.96 116.55 113.32 2kpn n ASP 92 Ca 0.14 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 55.03 2kpn n ASP 92 Cb 0.06 -0.60 -0.03 0.00 -0.72 0.00 0.00 41.12 39.84 2kpn n ASP 92 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2kpn s LYS 93 N -0.01 4.15 0.49 -0.67 3.01 -1.26 -4.93 119.74 120.51 2kpn s LYS 93 Ca 0.00 2.55 -0.23 0.00 -1.01 0.00 0.00 55.97 57.29 2kpn s LYS 93 Cb 0.00 -4.08 -0.08 0.00 -1.01 0.00 0.00 37.83 32.66 2kpn s LYS 93 CO 0.00 -0.93 1.13 -0.35 0.51 0.00 0.00 175.35 175.71 2kpn n PRO 94 N 7.31 1.45 -2.54 -1.68 -0.04 -1.26 -5.00 135.00 133.23 2kpn n PRO 94 Ca 0.19 0.53 -0.26 0.00 -0.04 0.00 0.00 63.50 63.92 2kpn n PRO 94 Cb 0.41 -2.26 0.03 0.00 -0.04 0.00 0.00 33.50 31.64 2kpn n PRO 94 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2kpn s ILE 95 N -1.32 3.73 0.00 0.52 -4.36 -1.26 -4.25 121.20 114.26 2kpn s ILE 95 Ca 0.67 -0.12 0.00 0.00 -0.26 0.00 0.00 60.65 60.94 2kpn s ILE 95 Cb -0.48 -3.46 0.00 0.00 1.25 0.00 0.00 42.46 39.77 2kpn s ILE 95 CO 0.53 -0.43 0.00 -0.11 0.24 0.00 0.00 174.94 175.17 2kpn n LEU 96 N -2.46 0.48 -0.12 0.37 7.94 -1.26 -5.31 117.00 116.64 2kpn n LEU 96 Ca 0.04 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.95 2kpn n LEU 96 Cb 0.58 -0.74 0.01 0.00 0.53 0.00 0.00 43.42 43.80 2kpn n LEU 96 CO 0.51 -0.25 0.30 -0.62 -1.11 0.00 0.00 177.39 176.23