#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 1.50 3.14 3.17 0.00 -1.26 -4.71 105.19 107.04 2kpn n GLY 2 Ca 0.00 0.30 -0.09 0.00 0.00 0.00 0.00 46.02 46.23 2kpn n GLY 2 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kpn s ASN 3 N -3.55 0.16 0.00 1.61 2.47 -1.26 -5.08 114.94 109.28 2kpn s ASN 3 Ca 0.00 -0.55 0.00 0.00 0.42 0.00 0.00 52.86 52.73 2kpn s ASN 3 Cb 0.00 0.26 0.00 0.00 -1.45 0.00 0.00 41.25 40.06 2kpn s ASN 3 CO 0.00 -0.56 0.00 0.61 -3.72 0.00 0.00 177.10 173.43 2kpn n GLY 4 N 0.56 0.96 3.65 1.21 0.00 -1.26 -5.08 105.19 105.22 2kpn n GLY 4 Ca -0.18 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.14 4.20 -0.13 1.61 -1.05 -1.26 -4.93 118.70 117.00 2kpn s GLU 5 Ca 0.00 0.95 -0.02 0.00 -0.15 0.00 0.00 54.97 55.76 2kpn s GLU 5 Cb 0.00 -3.63 -0.02 0.00 -0.44 0.00 0.00 34.13 30.03 2kpn s GLU 5 CO 0.00 -0.49 -0.08 0.95 0.95 0.00 0.00 175.26 176.59 2kpn s THR 6 N 2.73 3.51 -0.22 1.83 -4.23 -1.26 -5.11 115.64 112.89 2kpn s THR 6 Ca 0.35 -0.50 -0.09 0.00 -1.18 0.00 0.00 61.69 60.27 2kpn s THR 6 Cb -0.15 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.14 2kpn s THR 6 CO 0.08 0.52 0.11 -0.44 -0.54 0.00 0.00 174.62 174.35 2kpn s SER 7 N 0.21 5.77 0.32 3.99 0.01 -1.26 -5.09 113.70 117.65 2kpn s SER 7 Ca -0.05 0.05 -0.27 0.00 1.31 0.00 0.00 55.95 56.99 2kpn s SER 7 Cb -0.14 -2.02 -0.09 0.00 0.21 0.00 0.00 66.02 63.97 2kpn s SER 7 CO 0.04 0.09 1.02 -0.62 0.41 0.00 0.00 173.24 174.18 2kpn s ASP 8 N 0.89 7.17 -0.24 2.44 2.15 -1.26 -5.02 116.67 122.80 2kpn s ASP 8 Ca 0.06 2.05 -0.28 0.00 0.43 0.00 0.00 52.55 54.80 2kpn s ASP 8 Cb -0.13 -2.60 0.01 0.00 -0.30 0.00 0.00 42.92 39.89 2kpn s ASP 8 CO 0.03 -0.20 1.01 -0.76 -0.17 0.00 0.00 175.17 175.08 2kpn s LEU 9 N -1.95 4.09 0.47 -1.34 1.43 -1.26 -5.02 118.68 115.10 2kpn s LEU 9 Ca 0.50 1.30 -0.24 0.00 -1.03 0.00 0.00 54.13 54.66 2kpn s LEU 9 Cb -0.25 -3.48 -0.08 0.00 0.03 0.00 0.00 46.19 42.41 2kpn s LEU 9 CO 0.31 -0.66 1.22 -0.62 0.23 0.00 0.00 176.35 176.84 2kpn n GLU 10 N 6.30 1.70 -1.69 1.70 4.71 -1.26 -4.56 120.64 127.54 2kpn n GLU 10 Ca 0.11 0.61 -0.44 0.00 -0.01 0.00 0.00 57.16 57.43 2kpn n GLU 10 Cb 0.46 -2.36 -0.03 0.00 -1.01 0.00 0.00 31.44 28.51 2kpn n GLU 10 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 2kpn n PRO 11 N -0.27 2.28 -2.72 3.49 -0.04 -1.26 -4.92 135.00 131.56 2kpn n PRO 11 Ca 0.08 0.81 -0.43 0.00 -0.04 0.00 0.00 63.50 63.93 2kpn n PRO 11 Cb 0.41 -2.53 -0.03 0.00 -0.04 0.00 0.00 33.50 31.31 2kpn n PRO 11 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2kpn s LYS 12 N -0.16 3.66 -0.38 0.54 2.47 0.13 -4.87 119.74 121.12 2kpn s LYS 12 Ca 0.69 0.40 -0.15 0.00 -1.56 0.00 0.00 55.97 55.34 2kpn s LYS 12 Cb -0.60 -3.90 0.00 0.00 -1.46 0.00 0.00 37.83 31.87 2kpn s LYS 12 CO 0.47 -1.25 0.35 -1.17 0.16 0.00 0.00 175.35 173.91 2kpn s LEU 13 N 4.02 4.72 -0.44 5.43 2.96 -1.26 -1.84 118.68 132.27 2kpn s LEU 13 Ca 0.42 -0.54 -0.23 0.00 -0.22 0.00 0.00 54.13 53.56 2kpn s LEU 13 Cb -0.09 -2.29 0.02 0.00 0.50 0.00 0.00 46.19 44.34 2kpn s LEU 13 CO 0.28 -0.42 0.81 -0.89 -1.32 0.00 0.00 176.35 174.80 2kpn s THR 14 N 1.94 4.63 -0.04 3.68 2.01 0.10 -5.00 115.64 122.97 2kpn s THR 14 Ca 0.10 0.54 0.01 0.00 0.31 0.00 0.00 61.69 62.64 2kpn s THR 14 Cb -0.17 -4.33 0.02 0.00 0.01 0.00 0.00 72.50 68.04 2kpn s THR 14 CO 0.12 -0.70 -0.02 -0.69 -0.69 0.00 0.00 174.62 172.64 2kpn s VAL 15 N 3.34 0.33 0.28 3.82 1.01 -1.26 -2.43 120.40 125.49 2kpn s VAL 15 Ca 0.31 -0.00 -0.28 0.00 0.00 0.00 0.00 61.98 62.01 2kpn s VAL 15 Cb -0.12 -0.39 -0.09 0.00 0.00 0.00 0.00 36.38 35.77 2kpn s VAL 15 CO 0.23 0.18 1.00 -2.16 0.00 0.00 0.00 175.10 174.34 2kpn s PRO 16 N 0.98 4.67 0.29 2.72 0.04 -1.26 -4.97 135.00 137.46 2kpn s PRO 16 Ca -0.10 1.55 0.02 0.00 0.04 0.00 0.00 61.00 62.51 2kpn s PRO 16 Cb -0.14 -3.08 0.43 0.00 0.04 0.00 0.00 34.50 31.75 2kpn s PRO 16 CO -0.01 0.32 1.76 -0.24 0.04 0.00 0.00 177.00 178.86 2kpn h VAL 17 N 2.93 1.25 -3.88 -0.36 3.04 -1.95 -3.40 116.25 113.88 2kpn h VAL 17 Ca -0.46 -1.12 -0.10 0.00 -1.01 0.00 0.00 66.70 64.01 2kpn h VAL 17 Cb 1.20 1.19 -0.14 0.00 -2.01 0.00 0.00 31.29 31.53 2kpn h VAL 17 CO 0.66 0.37 -0.40 -0.83 -1.01 0.00 0.00 177.57 176.36 2kpn s GLY 18 N -3.93 0.23 0.04 3.17 0.00 -1.26 -1.14 107.32 104.43 2kpn s GLY 18 Ca -0.07 -0.75 -0.14 0.00 0.00 0.00 0.00 44.72 43.75 2kpn s GLY 18 CO 0.79 -0.88 0.32 0.00 0.00 0.00 0.00 173.10 173.34 2kpn s ALA 19 N -3.89 -0.74 -0.05 3.20 0.00 0.14 -4.86 121.76 115.56 2kpn s ALA 19 Ca 0.08 0.06 -0.02 0.00 0.00 0.00 0.00 51.96 52.08 2kpn s ALA 19 Cb 0.05 0.33 0.03 0.00 0.00 0.00 0.00 23.12 23.53 2kpn s ALA 19 CO -0.08 -0.42 0.05 0.99 0.00 0.00 0.00 175.76 176.29 2kpn s THR 20 N -2.54 -0.01 0.36 0.00 2.01 -1.26 -0.64 115.64 113.57 2kpn s THR 20 Ca -0.05 0.34 0.04 0.00 0.31 0.00 0.00 61.69 62.32 2kpn s THR 20 Cb -0.01 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 72.21 2kpn s THR 20 CO -0.03 0.18 0.12 0.27 -0.69 0.00 0.00 174.62 174.47 2kpn s ILE 21 N 2.13 0.64 0.34 1.82 -4.36 -0.97 -5.01 121.20 115.79 2kpn s ILE 21 Ca 0.05 -2.00 0.10 0.00 -0.26 0.00 0.00 60.65 58.53 2kpn s ILE 21 Cb -0.12 -2.49 -0.06 0.00 1.25 0.00 0.00 42.46 41.03 2kpn s ILE 21 CO -0.04 0.00 -0.09 -1.00 0.24 0.00 0.00 174.94 174.06 2kpn s HIS 22 N -3.35 2.42 0.30 1.37 3.76 -1.26 -0.82 115.29 117.71 2kpn s HIS 22 Ca 0.30 -0.49 -0.30 0.00 -0.15 0.00 0.00 55.06 54.43 2kpn s HIS 22 Cb 0.05 -1.38 -0.12 0.00 1.11 0.00 0.00 32.58 32.23 2kpn s HIS 22 CO 0.16 0.58 1.42 0.28 -0.85 0.00 0.00 174.74 176.32 2kpn n VAL 23 N -0.81 1.40 0.00 -0.90 0.31 -0.33 -2.14 118.33 115.87 2kpn n VAL 23 Ca -0.05 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 2kpn n VAL 23 Cb 0.63 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 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 1.55 2.94 0.97 2.92 0.00 0.20 -4.62 105.19 109.14 2kpn n GLY 24 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.02 2kpn n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kpn n ASP 25 N 0.00 -0.04 -3.90 1.61 8.00 -0.91 -5.12 116.55 116.20 2kpn n ASP 25 Ca 0.00 -1.10 -0.11 0.00 0.71 0.00 0.00 54.79 54.29 2kpn n ASP 25 Cb 0.00 -0.26 -0.12 0.00 -0.02 0.00 0.00 41.12 40.73 2kpn n ASP 25 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2kpn s SER 26 N -2.23 0.06 -0.07 -2.24 0.01 -1.26 -4.82 113.70 103.15 2kpn s SER 26 Ca 0.19 -0.17 0.05 0.00 1.31 0.00 0.00 55.95 57.33 2kpn s SER 26 Cb -0.01 0.14 -0.01 0.00 0.21 0.00 0.00 66.02 66.35 2kpn s SER 26 CO 0.13 -0.20 -0.22 0.12 0.41 0.00 0.00 173.24 173.48 2kpn s PHE 27 N -0.81 2.53 -0.45 2.43 2.19 -1.26 -5.09 117.98 117.53 2kpn s PHE 27 Ca -0.09 -0.72 0.03 0.00 0.33 0.00 0.00 56.93 56.49 2kpn s PHE 27 Cb -0.05 -1.65 0.12 0.00 -1.31 0.00 0.00 43.02 40.13 2kpn s PHE 27 CO 0.00 -0.21 0.19 0.08 1.83 0.00 0.00 175.22 177.11 2kpn s VAL 28 N -0.07 2.23 0.51 3.12 1.01 -1.26 -4.98 120.40 120.96 2kpn s VAL 28 Ca -0.06 -2.85 0.21 0.00 0.00 0.00 0.00 61.98 59.29 2kpn s VAL 28 Cb -0.14 -2.58 0.28 0.00 0.00 0.00 0.00 36.38 33.93 2kpn s VAL 28 CO 0.05 -0.76 2.13 1.55 0.00 0.00 0.00 175.10 178.07 2kpn h PRO 29 N 6.90 0.00 0.00 2.72 0.13 -1.98 -0.83 132.00 138.94 2kpn h PRO 29 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2kpn h PRO 29 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2kpn h PRO 29 CO 0.60 0.07 0.00 -1.33 -0.23 0.00 0.00 178.00 177.11 2kpn n MET 30 N -4.13 0.11 -0.07 0.86 2.81 -1.26 -2.27 117.12 113.17 2kpn n MET 30 Ca -0.03 0.12 -0.08 0.00 -1.81 0.00 0.00 57.70 55.90 2kpn n MET 30 Cb 0.15 -1.64 -0.07 0.00 -0.71 0.00 0.00 33.22 30.95 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 -1.63 1.70 1.63 3.04 0.00 -0.80 -4.57 120.51 119.89 2kpn n ALA 31 Ca 0.06 -0.66 0.15 0.00 0.00 0.00 0.00 53.44 52.99 2kpn n ALA 31 Cb 0.36 0.11 0.67 0.00 0.00 0.00 0.00 19.45 20.59 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 -2.73 1.24 -4.28 0.00 1.02 -0.39 -4.82 120.64 110.69 2kpn n GLU 32 Ca -0.23 -0.51 -0.23 0.00 -0.02 0.00 0.00 57.16 56.17 2kpn n GLU 32 Cb 0.80 -1.49 -0.12 0.00 -0.02 0.00 0.00 31.44 30.61 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 -2.11 1.68 0.01 2.62 1.01 -0.96 -4.75 120.40 117.89 2kpn s VAL 33 Ca 0.39 -1.58 -0.05 0.00 0.00 0.00 0.00 61.98 60.74 2kpn s VAL 33 Cb 0.21 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 2kpn s VAL 33 CO 0.38 -0.11 0.09 -0.22 0.00 0.00 0.00 175.10 175.23 2kpn s LEU 34 N -2.01 1.76 -0.12 3.92 0.20 -1.02 -4.78 118.68 116.62 2kpn s LEU 34 Ca 0.07 -0.30 -0.05 0.00 0.69 0.00 0.00 54.13 54.54 2kpn s LEU 34 Cb -0.09 0.50 0.06 0.00 -0.43 0.00 0.00 46.19 46.23 2kpn s LEU 34 CO 0.04 -0.35 0.27 0.00 -0.29 0.00 0.00 176.35 176.02 2kpn s ALA 35 N -1.42 -0.62 0.00 5.97 0.00 -1.26 0.03 121.76 124.46 2kpn s ALA 35 Ca -0.15 1.03 0.04 0.00 0.00 0.00 0.00 51.96 52.89 2kpn s ALA 35 Cb -0.08 -0.85 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 2kpn s ALA 35 CO 0.01 -0.41 -0.14 0.42 0.00 0.00 0.00 175.76 175.64 2kpn s ILE 36 N 1.82 1.08 0.03 0.00 -1.09 -0.77 -0.29 121.20 121.99 2kpn s ILE 36 Ca -0.05 -0.69 0.06 0.00 -2.23 0.00 0.00 60.65 57.75 2kpn s ILE 36 Cb -0.11 -0.92 -0.02 0.00 -1.58 0.00 0.00 42.46 39.82 2kpn s ILE 36 CO -0.09 0.22 -0.19 -0.62 -1.23 0.00 0.00 174.94 173.03 2kpn s ASP 37 N -0.54 2.25 0.33 3.58 -1.08 0.21 0.18 116.67 121.61 2kpn s ASP 37 Ca 0.04 -0.47 0.05 0.00 -0.52 0.00 0.00 52.55 51.65 2kpn s ASP 37 Cb -0.06 -0.19 0.59 0.00 -1.46 0.00 0.00 42.92 41.80 2kpn s ASP 37 CO -0.00 0.15 1.85 0.50 0.52 0.00 0.00 175.17 178.19 2kpn h LYS 38 N 5.06 0.46 0.15 4.34 3.64 -1.84 -0.03 116.57 128.35 2kpn h LYS 38 Ca -0.41 -0.12 -0.24 0.00 -1.27 0.00 0.00 60.65 58.62 2kpn h LYS 38 Cb 1.16 -0.06 0.02 0.00 -0.41 0.00 0.00 32.23 32.94 2kpn h LYS 38 CO 0.45 0.55 -1.12 1.05 -2.27 0.00 0.00 179.45 178.11 2kpn h GLU 39 N 0.44 0.33 0.05 1.90 4.11 -1.97 -3.40 114.58 116.03 2kpn h GLU 39 Ca 0.09 -0.56 -0.37 0.00 0.07 0.00 0.00 59.36 58.59 2kpn h GLU 39 Cb 0.41 0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 2kpn h GLU 39 CO 0.02 1.27 -2.15 -3.47 0.07 0.00 0.00 179.01 174.75 2kpn n ASP 40 N -3.98 2.02 0.00 3.06 2.03 -1.22 -5.09 116.55 113.37 2kpn n ASP 40 Ca -0.18 0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.26 2kpn n ASP 40 Cb 0.90 -0.71 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 2kpn n ASP 40 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kpn n GLY 41 N 1.93 0.69 3.63 0.27 0.00 -0.03 -5.00 105.19 106.69 2kpn n GLY 41 Ca -0.40 -1.15 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 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 6.63 -0.15 1.61 -1.08 -1.26 -0.62 116.67 117.81 2kpn s ASP 42 Ca 0.00 0.78 0.16 0.00 -0.52 0.00 0.00 52.55 52.97 2kpn s ASP 42 Cb 0.00 -2.36 0.47 0.00 -1.46 0.00 0.00 42.92 39.57 2kpn s ASP 42 CO 0.00 -0.40 1.37 0.18 0.52 0.00 0.00 175.17 176.83 2kpn n LEU 43 N 5.78 3.59 0.14 -1.34 4.77 0.61 -4.65 117.00 125.89 2kpn n LEU 43 Ca 0.01 -2.87 0.11 0.00 -0.03 0.00 0.00 56.01 53.23 2kpn n LEU 43 Cb 0.49 -0.48 0.62 0.00 -2.33 0.00 0.00 43.42 41.72 2kpn n LEU 43 CO 0.44 0.68 1.12 0.74 -1.33 0.00 0.00 177.39 179.04 2kpn h THR 44 N 1.64 0.93 0.00 -5.08 2.02 -1.82 0.14 112.91 110.74 2kpn h THR 44 Ca 0.00 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.11 2kpn h THR 44 Cb 1.29 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 2kpn h THR 44 CO 0.17 0.01 -0.18 -1.28 0.37 0.00 0.00 175.52 174.61 2kpn h SER 45 N 0.08 0.00 1.73 4.18 0.87 -1.90 -2.92 113.55 115.59 2kpn h SER 45 Ca 0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2kpn h SER 45 Cb 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2kpn h SER 45 CO -0.01 0.18 0.00 0.11 -0.53 0.00 0.00 176.83 176.58 2kpn h LYS 46 N 0.00 0.00 -6.10 2.24 1.79 -1.07 -3.45 116.57 109.98 2kpn h LYS 46 Ca -0.00 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.90 2kpn h LYS 46 Cb 0.55 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 2kpn h LYS 46 CO 0.02 0.00 1.41 0.42 -1.08 0.00 0.00 179.45 180.22 2kpn s ILE 47 N -3.33 3.05 -0.25 1.86 1.01 -1.11 -4.56 121.20 117.88 2kpn s ILE 47 Ca 0.06 0.05 -0.23 0.00 0.00 0.00 0.00 60.65 60.53 2kpn s ILE 47 Cb 0.06 -3.06 -0.01 0.00 0.01 0.00 0.00 42.46 39.46 2kpn s ILE 47 CO 0.63 -0.03 0.74 -0.75 0.00 0.00 0.00 174.94 175.53 2kpn s LYS 48 N 5.80 4.15 -0.30 2.79 2.36 0.57 -4.90 119.74 130.21 2kpn s LYS 48 Ca 0.96 0.77 -0.15 0.00 -2.55 0.00 0.00 55.97 54.99 2kpn s LYS 48 Cb -0.35 -3.65 -0.03 0.00 -1.05 0.00 0.00 37.83 32.76 2kpn s LYS 48 CO 0.36 -0.47 0.39 0.08 1.55 0.00 0.00 175.35 177.27 2kpn s VAL 49 N 2.68 5.15 -0.26 4.02 1.01 -1.26 -1.65 120.40 130.08 2kpn s VAL 49 Ca 0.31 0.41 -0.06 0.00 0.00 0.00 0.00 61.98 62.64 2kpn s VAL 49 Cb -0.15 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 2kpn s VAL 49 CO 0.08 0.04 0.05 -0.62 0.00 0.00 0.00 175.10 174.64 2kpn s ASP 50 N 1.68 4.94 0.00 3.32 -1.08 0.47 -4.98 116.67 121.01 2kpn s ASP 50 Ca 0.15 -0.40 0.00 0.00 -0.52 0.00 0.00 52.55 51.78 2kpn s ASP 50 Cb -0.16 -1.87 0.00 0.00 -1.46 0.00 0.00 42.92 39.43 2kpn s ASP 50 CO 0.11 -0.08 0.00 0.61 0.52 0.00 0.00 175.17 176.33 2kpn n GLY 51 N 4.88 2.32 3.44 2.66 0.00 -1.26 -0.95 105.19 116.28 2kpn n GLY 51 Ca -0.16 -2.07 -0.13 0.00 0.00 0.00 0.00 46.02 43.66 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 -2.22 0.62 -0.21 1.61 2.12 -1.26 -4.94 118.70 114.41 2kpn s GLU 52 Ca 0.00 0.78 -0.11 0.00 0.36 0.00 0.00 54.97 56.01 2kpn s GLU 52 Cb 0.00 0.27 -0.05 0.00 0.26 0.00 0.00 34.13 34.61 2kpn s GLU 52 CO 0.00 -0.09 0.16 0.08 -0.54 0.00 0.00 175.26 174.87 2kpn s VAL 53 N 0.46 5.38 -0.08 3.70 1.01 -1.26 -4.92 120.40 124.69 2kpn s VAL 53 Ca -0.01 0.22 -0.12 0.00 0.00 0.00 0.00 61.98 62.07 2kpn s VAL 53 Cb -0.04 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 2kpn s VAL 53 CO -0.02 0.39 0.29 -0.62 0.00 0.00 0.00 175.10 175.15 2kpn s ASP 54 N 0.67 6.57 -0.24 3.32 2.15 -1.26 -4.96 116.67 122.92 2kpn s ASP 54 Ca 0.09 0.68 0.13 0.00 0.43 0.00 0.00 52.55 53.88 2kpn s ASP 54 Cb -0.12 -2.18 0.55 0.00 -0.30 0.00 0.00 42.92 40.87 2kpn s ASP 54 CO 0.01 0.28 1.48 0.35 -0.17 0.00 0.00 175.17 177.13 2kpn n THR 55 N 2.38 2.46 -0.02 1.71 -2.24 -1.26 -4.33 114.28 112.97 2kpn n THR 55 Ca -0.15 -2.14 -0.01 0.00 -2.27 0.00 0.00 64.05 59.48 2kpn n THR 55 Cb 0.53 -0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 68.41 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 -0.70 0.31 -4.99 4.28 -2.24 -1.26 -0.63 114.28 109.05 2kpn n THR 56 Ca 0.28 -0.26 -0.32 0.00 -2.27 0.00 0.00 64.05 61.48 2kpn n THR 56 Cb 1.01 -0.41 -0.15 0.00 -2.10 0.00 0.00 70.33 68.67 2kpn n THR 56 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2kpn s LYS 57 N -2.30 3.15 0.10 -0.78 3.01 -1.26 -4.98 119.74 116.68 2kpn s LYS 57 Ca -0.03 -0.77 -0.29 0.00 -1.01 0.00 0.00 55.97 53.86 2kpn s LYS 57 Cb 0.03 -2.46 -0.06 0.00 -1.01 0.00 0.00 37.83 34.33 2kpn s LYS 57 CO 0.30 0.24 0.92 0.00 0.51 0.00 0.00 175.35 177.32 2kpn s ALA 58 N 0.25 3.27 0.00 5.17 0.00 -1.26 -4.81 121.76 124.38 2kpn s ALA 58 Ca -0.12 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.36 2kpn s ALA 58 Cb -0.16 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2kpn s ALA 58 CO 0.06 0.00 0.00 0.41 0.00 0.00 0.00 175.76 176.24 2kpn n GLY 59 N 2.24 0.86 3.65 0.00 0.00 -0.89 -4.95 105.19 106.09 2kpn n GLY 59 Ca 0.01 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 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 5.04 -0.06 2.61 2.01 -1.26 -0.80 115.64 121.18 2kpn s THR 60 Ca 0.00 1.10 0.03 0.00 0.31 0.00 0.00 61.69 63.13 2kpn s THR 60 Cb 0.00 -3.91 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 2kpn s THR 60 CO 0.00 0.12 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.59 2kpn s TYR 61 N 1.92 2.70 -0.30 4.92 1.51 0.52 -4.96 117.35 123.67 2kpn s TYR 61 Ca 0.27 -0.26 -0.10 0.00 -1.01 0.00 0.00 57.07 55.97 2kpn s TYR 61 Cb -0.16 -1.66 -0.02 0.00 -0.11 0.00 0.00 41.96 40.02 2kpn s TYR 61 CO 0.10 0.11 0.15 0.08 -1.11 0.00 0.00 175.55 174.88 2kpn s VAL 62 N -0.54 4.71 -0.20 0.71 1.01 -1.26 -1.02 120.40 123.82 2kpn s VAL 62 Ca 0.07 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 61.66 2kpn s VAL 62 Cb -0.12 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 2kpn s VAL 62 CO 0.01 0.11 0.10 -0.76 0.00 0.00 0.00 175.10 174.56 2kpn s LEU 63 N 1.64 3.97 -0.13 3.92 1.43 -0.67 -4.70 118.68 124.14 2kpn s LEU 63 Ca 0.05 0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.24 2kpn s LEU 63 Cb -0.17 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 2kpn s LEU 63 CO 0.07 0.16 0.01 -0.89 0.23 0.00 0.00 176.35 175.93 2kpn s THR 64 N 0.47 4.34 -0.15 5.49 2.01 -0.12 -0.61 115.64 127.07 2kpn s THR 64 Ca 0.05 -0.21 0.01 0.00 0.31 0.00 0.00 61.69 61.85 2kpn s THR 64 Cb -0.12 -2.88 0.02 0.00 0.01 0.00 0.00 72.50 69.53 2kpn s THR 64 CO -0.00 0.54 -0.16 -0.31 -0.69 0.00 0.00 174.62 174.00 2kpn s TYR 65 N -0.26 2.30 -0.06 4.92 2.02 0.73 -0.40 117.35 126.60 2kpn s TYR 65 Ca 0.06 -1.29 0.05 0.00 -0.37 0.00 0.00 57.07 55.52 2kpn s TYR 65 Cb -0.12 -1.66 -0.00 0.00 -0.40 0.00 0.00 41.96 39.78 2kpn s TYR 65 CO 0.02 -0.68 -0.20 0.99 -1.57 0.00 0.00 175.55 174.11 2kpn s THR 66 N 1.36 1.73 -0.03 -0.71 2.01 -0.66 -0.69 115.64 118.64 2kpn s THR 66 Ca 0.03 -0.86 0.03 0.00 0.31 0.00 0.00 61.69 61.20 2kpn s THR 66 Cb -0.13 -1.48 0.00 0.00 0.01 0.00 0.00 72.50 70.90 2kpn s THR 66 CO -0.10 0.49 -0.10 0.54 -0.69 0.00 0.00 174.62 174.75 2kpn s VAL 67 N 0.13 0.92 -0.02 3.82 0.11 -0.29 -0.32 120.40 124.74 2kpn s VAL 67 Ca -0.09 -0.42 0.02 0.00 -2.93 0.00 0.00 61.98 58.56 2kpn s VAL 67 Cb -0.14 -0.81 -0.03 0.00 -1.53 0.00 0.00 36.38 33.86 2kpn s VAL 67 CO 0.04 0.28 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.17 2kpn s THR 68 N 0.25 3.88 0.25 5.04 2.01 -1.26 -1.70 115.64 124.11 2kpn s THR 68 Ca -0.05 -0.60 0.06 0.00 0.31 0.00 0.00 61.69 61.41 2kpn s THR 68 Cb -0.10 -2.67 -0.03 0.00 0.01 0.00 0.00 72.50 69.71 2kpn s THR 68 CO 0.01 0.46 0.29 -0.62 -0.69 0.00 0.00 174.62 174.07 2kpn s ASP 69 N -1.26 5.94 0.40 3.53 2.15 0.18 -4.96 116.67 122.65 2kpn s ASP 69 Ca 0.16 -0.09 0.08 0.00 0.43 0.00 0.00 52.55 53.13 2kpn s ASP 69 Cb -0.11 -1.62 0.83 0.00 -0.30 0.00 0.00 42.92 41.71 2kpn s ASP 69 CO 0.06 -0.07 2.01 0.28 -0.17 0.00 0.00 175.17 177.27 2kpn h SER 70 N 1.30 0.40 -0.04 -0.34 0.02 -2.01 -0.10 113.55 112.78 2kpn h SER 70 Ca -0.50 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 2kpn h SER 70 Cb 1.24 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2kpn h SER 70 CO 0.61 0.37 0.00 0.29 -1.14 0.00 0.00 176.83 176.95 2kpn n LYS 71 N -4.41 1.15 -0.45 3.45 4.76 -1.26 -4.88 118.16 116.53 2kpn n LYS 71 Ca 0.02 -0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.22 2kpn n LYS 71 Cb 0.13 -1.28 0.00 0.00 -1.84 0.00 0.00 35.03 32.04 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 0.83 0.75 3.64 0.72 0.00 -0.05 -5.05 105.19 106.03 2kpn n GLY 72 Ca 0.13 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 2kpn n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kpn s HIS 73 N -2.00 3.32 -0.13 1.61 3.76 -1.24 -4.81 115.29 115.81 2kpn s HIS 73 Ca 0.00 0.93 0.01 0.00 -0.15 0.00 0.00 55.06 55.85 2kpn s HIS 73 Cb 0.00 -2.87 0.02 0.00 1.11 0.00 0.00 32.58 30.84 2kpn s HIS 73 CO 0.00 -0.28 -0.15 -2.00 -0.85 0.00 0.00 174.74 171.46 2kpn s GLU 74 N 2.34 2.27 0.25 1.40 2.12 -1.26 0.47 118.70 126.29 2kpn s GLU 74 Ca 0.29 -0.56 0.11 0.00 0.36 0.00 0.00 54.97 55.17 2kpn s GLU 74 Cb -0.16 -2.02 -0.05 0.00 0.26 0.00 0.00 34.13 32.17 2kpn s GLU 74 CO 0.09 -0.16 -0.19 0.14 -0.54 0.00 0.00 175.26 174.60 2kpn s VAL 75 N 1.28 2.25 0.04 3.70 -7.23 -0.69 -4.98 120.40 114.76 2kpn s VAL 75 Ca 0.00 -2.30 -0.05 0.00 -1.81 0.00 0.00 61.98 57.82 2kpn s VAL 75 Cb -0.14 -2.20 -0.01 0.00 0.56 0.00 0.00 36.38 34.59 2kpn s VAL 75 CO -0.07 -0.42 0.08 0.28 -0.31 0.00 0.00 175.10 174.66 2kpn s THR 76 N -2.54 0.14 0.12 5.32 -1.32 -1.26 -1.14 115.64 114.95 2kpn s THR 76 Ca 0.27 -1.12 -0.10 0.00 -1.21 0.00 0.00 61.69 59.52 2kpn s THR 76 Cb -0.04 -0.89 0.00 0.00 -1.51 0.00 0.00 72.50 70.06 2kpn s THR 76 CO 0.12 -0.62 0.26 0.00 -2.21 0.00 0.00 174.62 172.17 2kpn s ALA 77 N -2.61 -0.31 0.15 11.08 0.00 0.13 -4.99 121.76 125.21 2kpn s ALA 77 Ca -0.05 -0.57 0.08 0.00 0.00 0.00 0.00 51.96 51.42 2kpn s ALA 77 Cb -0.01 0.62 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 2kpn s ALA 77 CO -0.05 -0.57 -0.18 0.15 0.00 0.00 0.00 175.76 175.11 2kpn s LYS 78 N -3.88 1.22 -0.02 0.00 1.02 -1.26 -0.20 119.74 116.63 2kpn s LYS 78 Ca 0.08 -1.36 0.03 0.00 0.02 0.00 0.00 55.97 54.74 2kpn s LYS 78 Cb 0.04 -1.28 -0.00 0.00 -0.52 0.00 0.00 37.83 36.07 2kpn s LYS 78 CO -0.08 0.26 -0.11 -1.14 -0.92 0.00 0.00 175.35 173.35 2kpn s GLN 79 N -2.68 1.05 -0.51 1.68 0.74 0.22 -4.66 119.66 115.50 2kpn s GLN 79 Ca 0.14 -0.40 -0.17 0.00 0.05 0.00 0.00 55.36 54.97 2kpn s GLN 79 Cb -0.06 -0.99 0.08 0.00 1.10 0.00 0.00 33.01 33.14 2kpn s GLN 79 CO 0.06 0.20 0.54 0.99 -0.55 0.00 0.00 175.29 176.53 2kpn s THR 80 N -0.07 5.04 -0.46 -0.34 2.01 -0.30 -1.67 115.64 119.85 2kpn s THR 80 Ca 0.01 -0.91 -0.14 0.00 0.31 0.00 0.00 61.69 60.96 2kpn s THR 80 Cb -0.07 -4.27 0.07 0.00 0.01 0.00 0.00 72.50 68.25 2kpn s THR 80 CO 0.00 -0.78 0.37 -0.69 -0.69 0.00 0.00 174.62 172.83 2kpn s VAL 81 N 2.14 5.01 -0.30 3.82 1.01 -0.19 0.26 120.40 132.16 2kpn s VAL 81 Ca 0.09 -1.13 -0.15 0.00 0.00 0.00 0.00 61.98 60.78 2kpn s VAL 81 Cb -0.23 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 2kpn s VAL 81 CO 0.08 -0.56 0.38 -0.89 0.00 0.00 0.00 175.10 174.11 2kpn s THR 82 N 1.59 5.16 -0.09 3.92 2.01 0.18 -0.35 115.64 128.07 2kpn s THR 82 Ca 0.04 0.40 -0.10 0.00 0.31 0.00 0.00 61.69 62.34 2kpn s THR 82 Cb -0.24 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.47 2kpn s THR 82 CO 0.06 0.05 0.22 -0.69 -0.69 0.00 0.00 174.62 173.57 2kpn s VAL 83 N 2.09 5.36 0.20 3.82 1.01 0.02 -2.30 120.40 130.59 2kpn s VAL 83 Ca 0.14 0.41 0.10 0.00 0.00 0.00 0.00 61.98 62.63 2kpn s VAL 83 Cb -0.16 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 2kpn s VAL 83 CO 0.11 0.60 -0.21 -0.54 0.00 0.00 0.00 175.10 175.06 2kpn s LYS 84 N -0.96 1.45 0.30 2.72 1.02 -0.00 -2.10 119.74 122.17 2kpn s LYS 84 Ca 0.17 -1.53 -0.22 0.00 0.02 0.00 0.00 55.97 54.42 2kpn s LYS 84 Cb -0.13 -1.61 -0.09 0.00 -0.52 0.00 0.00 37.83 35.47 2kpn s LYS 84 CO 0.07 0.33 0.85 0.08 -0.92 0.00 0.00 175.35 175.76 2kpn s VAL 85 N -2.01 4.40 -0.10 3.17 1.01 -1.26 -1.18 120.40 124.42 2kpn s VAL 85 Ca 0.21 1.52 -0.05 0.00 0.00 0.00 0.00 61.98 63.66 2kpn s VAL 85 Cb -0.06 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 2kpn s VAL 85 CO 0.09 0.07 0.07 0.00 0.00 0.00 0.00 175.10 175.34 2kpn s ARG 86 N -2.26 3.22 -0.93 2.72 1.70 -1.26 -4.81 118.95 117.33 2kpn s ARG 86 Ca 0.50 -0.26 -0.24 0.00 -0.47 0.00 0.00 55.73 55.25 2kpn s ARG 86 Cb -0.16 -3.00 -0.05 0.00 -0.57 0.00 0.00 34.95 31.17 2kpn s ARG 86 CO 0.21 0.74 1.95 -1.21 -1.08 0.00 0.00 175.30 175.91 2kpn s GLU 87 N -0.96 2.54 -0.80 3.89 0.41 -1.26 -4.91 118.70 117.61 2kpn s GLU 87 Ca 0.14 -0.37 -0.22 0.00 -0.41 0.00 0.00 54.97 54.11 2kpn s GLU 87 Cb -0.12 -5.08 0.08 0.00 -1.78 0.00 0.00 34.13 27.23 2kpn s GLU 87 CO 0.03 -3.45 1.13 -1.21 -0.49 0.00 0.00 175.26 171.27 2kpn s GLU 88 N 6.98 3.32 0.29 1.61 2.02 -1.26 -5.02 118.70 126.64 2kpn s GLU 88 Ca 0.70 -1.01 -0.29 0.00 0.02 0.00 0.00 54.97 54.40 2kpn s GLU 88 Cb -0.06 -4.57 -0.10 0.00 0.10 0.00 0.00 34.13 29.50 2kpn s GLU 88 CO 0.01 -1.92 1.27 0.54 0.02 0.00 0.00 175.26 175.17 2kpn s VAL 89 N 4.15 2.97 -0.94 2.63 0.11 -1.26 -4.89 120.40 123.16 2kpn s VAL 89 Ca 0.31 0.93 -0.25 0.00 -2.93 0.00 0.00 61.98 60.04 2kpn s VAL 89 Cb -0.10 -3.60 -0.13 0.00 -1.53 0.00 0.00 36.38 31.03 2kpn s VAL 89 CO 0.03 0.21 2.16 -1.59 -3.33 0.00 0.00 175.10 172.58 2kpn s LYS 90 N -1.39 1.84 -0.10 1.54 -2.85 -1.26 -4.93 119.74 112.60 2kpn s LYS 90 Ca 0.50 -0.15 -0.21 0.00 -1.00 0.00 0.00 55.97 55.11 2kpn s LYS 90 Cb -0.38 -4.96 -0.04 0.00 -2.06 0.00 0.00 37.83 30.39 2kpn s LYS 90 CO 0.48 -4.40 0.58 -0.80 0.10 0.00 0.00 175.35 171.31 2kpn s ASN 91 N 9.02 6.82 -0.66 0.03 0.02 -1.26 -5.02 114.94 123.89 2kpn s ASN 91 Ca 0.81 0.98 -0.27 0.00 -1.02 0.00 0.00 52.86 53.36 2kpn s ASN 91 Cb -0.08 -2.34 -0.00 0.00 0.02 0.00 0.00 41.25 38.85 2kpn s ASN 91 CO 0.09 -0.06 1.62 -0.62 0.02 0.00 0.00 177.10 178.15 2kpn s ASP 92 N 0.73 5.64 -0.43 -1.22 2.15 -1.26 -4.85 116.67 117.44 2kpn s ASP 92 Ca 0.31 0.03 0.08 0.00 0.43 0.00 0.00 52.55 53.40 2kpn s ASP 92 Cb -0.16 -2.54 0.27 0.00 -0.30 0.00 0.00 42.92 40.19 2kpn s ASP 92 CO 0.14 -2.15 0.76 2.29 -0.17 0.00 0.00 175.17 176.04 2kpn n LYS 93 N 9.25 0.82 -3.03 4.34 2.85 -1.26 -5.07 118.16 126.06 2kpn n LYS 93 Ca 0.13 -2.58 -0.45 0.00 -1.05 0.00 0.00 58.31 54.36 2kpn n LYS 93 Cb 0.51 -1.35 -0.02 0.00 -0.65 0.00 0.00 35.03 33.51 2kpn n LYS 93 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2kpn s PRO 94 N -0.58 3.58 -0.89 -1.58 0.04 -1.26 -5.00 135.00 129.31 2kpn s PRO 94 Ca 0.33 -1.91 -0.22 0.00 0.04 0.00 0.00 61.00 59.24 2kpn s PRO 94 Cb 0.24 -4.78 0.07 0.00 0.04 0.00 0.00 34.50 30.07 2kpn s PRO 94 CO -0.14 -1.65 1.25 0.42 0.04 0.00 0.00 177.00 176.92 2kpn s ILE 95 N 2.09 4.19 -1.05 0.56 -1.09 -1.26 -4.95 121.20 119.70 2kpn s ILE 95 Ca 0.29 -0.76 -0.23 0.00 -2.23 0.00 0.00 60.65 57.71 2kpn s ILE 95 Cb -0.07 -4.90 -0.03 0.00 -1.58 0.00 0.00 42.46 35.89 2kpn s ILE 95 CO -0.09 -1.72 1.83 -0.22 -1.23 0.00 0.00 174.94 173.51 2kpn s LEU 96 N 4.27 3.27 0.00 2.97 2.96 -1.26 -5.37 118.68 125.52 2kpn s LEU 96 Ca 0.37 -1.28 0.25 0.00 -0.22 0.00 0.00 54.13 53.25 2kpn s LEU 96 Cb -0.05 -2.57 0.47 0.00 0.50 0.00 0.00 46.19 44.54 2kpn s LEU 96 CO -0.03 -2.45 1.42 -1.84 -1.32 0.00 0.00 176.35 172.13