#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 0.22 3.13 -5.12 0.00 -1.26 -5.12 105.19 97.03 2kpn n GLY 2 Ca 0.00 -0.27 -0.18 0.00 0.00 0.00 0.00 46.02 45.57 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 1.97 -3.98 1.61 3.02 -1.26 -5.13 115.26 111.49 2kpn n ASN 3 Ca 0.00 -2.35 -0.28 0.00 -0.03 0.00 0.00 54.58 51.92 2kpn n ASN 3 Cb 0.00 -0.23 -0.17 0.00 -0.61 0.00 0.00 39.78 38.78 2kpn n ASN 3 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2kpn s GLY 4 N -3.97 0.99 0.11 7.41 0.00 -1.26 -5.12 107.32 105.48 2kpn s GLY 4 Ca 0.40 -0.73 -0.31 0.00 0.00 0.00 0.00 44.72 44.08 2kpn s GLY 4 CO 0.26 0.59 1.28 -0.54 0.00 0.00 0.00 173.10 174.69 2kpn s GLU 5 N 1.49 4.40 0.08 2.90 0.41 -1.26 -5.02 118.70 121.70 2kpn s GLU 5 Ca 0.03 1.92 -0.19 0.00 -0.41 0.00 0.00 54.97 56.32 2kpn s GLU 5 Cb -0.13 -3.28 -0.07 0.00 -1.78 0.00 0.00 34.13 28.87 2kpn s GLU 5 CO -0.08 -0.30 0.58 0.99 -0.49 0.00 0.00 175.26 175.96 2kpn s THR 6 N 0.83 4.72 -0.36 3.63 2.01 -1.26 -5.05 115.64 120.17 2kpn s THR 6 Ca 0.60 1.23 -0.23 0.00 0.31 0.00 0.00 61.69 63.59 2kpn s THR 6 Cb -0.33 -3.90 0.01 0.00 0.01 0.00 0.00 72.50 68.28 2kpn s THR 6 CO 0.31 0.55 0.80 -0.44 -0.69 0.00 0.00 174.62 175.15 2kpn s SER 7 N -1.13 6.57 0.19 3.53 0.01 -1.26 -5.04 113.70 116.58 2kpn s SER 7 Ca 0.29 0.40 -0.30 0.00 1.31 0.00 0.00 55.95 57.66 2kpn s SER 7 Cb -0.20 -2.40 -0.08 0.00 0.21 0.00 0.00 66.02 63.55 2kpn s SER 7 CO 0.19 -0.74 1.10 -0.62 0.41 0.00 0.00 173.24 173.58 2kpn s ASP 8 N 1.83 7.27 -0.00 2.44 -1.08 -1.26 -5.04 116.67 120.83 2kpn s ASP 8 Ca 0.32 2.11 -0.18 0.00 -0.52 0.00 0.00 52.55 54.28 2kpn s ASP 8 Cb -0.13 -2.61 -0.06 0.00 -1.46 0.00 0.00 42.92 38.67 2kpn s ASP 8 CO 0.17 -0.20 0.52 -0.76 0.52 0.00 0.00 175.17 175.42 2kpn s LEU 9 N -0.54 4.44 0.36 -1.34 1.43 -1.26 -5.07 118.68 116.70 2kpn s LEU 9 Ca 0.48 1.08 -0.28 0.00 -1.03 0.00 0.00 54.13 54.39 2kpn s LEU 9 Cb -0.30 -2.79 -0.10 0.00 0.03 0.00 0.00 46.19 43.03 2kpn s LEU 9 CO 0.36 0.18 1.34 -1.83 0.23 0.00 0.00 176.35 176.63 2kpn s GLU 10 N -0.50 4.22 0.50 1.70 1.03 -1.26 -4.80 118.70 119.58 2kpn s GLU 10 Ca 0.28 2.26 -0.22 0.00 0.03 0.00 0.00 54.97 57.32 2kpn s GLU 10 Cb -0.18 -2.98 -0.08 0.00 -0.80 0.00 0.00 34.13 30.10 2kpn s GLU 10 CO 0.16 -0.32 1.10 -0.35 -1.33 0.00 0.00 175.26 174.51 2kpn n PRO 11 N 0.58 1.37 -2.77 -4.83 -0.04 -1.26 -4.93 135.00 123.11 2kpn n PRO 11 Ca 0.01 0.50 -0.43 0.00 -0.04 0.00 0.00 63.50 63.55 2kpn n PRO 11 Cb 0.42 -2.23 -0.04 0.00 -0.04 0.00 0.00 33.50 31.61 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 -2.43 3.30 -0.39 0.54 2.36 0.20 -4.92 119.74 118.40 2kpn s LYS 12 Ca 0.68 -0.29 -0.14 0.00 -2.55 0.00 0.00 55.97 53.67 2kpn s LYS 12 Cb -0.48 -4.09 0.01 0.00 -1.05 0.00 0.00 37.83 32.22 2kpn s LYS 12 CO 0.53 -1.65 0.28 -1.17 1.55 0.00 0.00 175.35 174.89 2kpn s LEU 13 N 4.31 4.92 -0.42 5.43 2.96 -1.26 -0.98 118.68 133.63 2kpn s LEU 13 Ca 0.31 -0.75 -0.22 0.00 -0.22 0.00 0.00 54.13 53.25 2kpn s LEU 13 Cb -0.12 -2.15 0.02 0.00 0.50 0.00 0.00 46.19 44.44 2kpn s LEU 13 CO 0.18 -0.38 0.74 -0.89 -1.32 0.00 0.00 176.35 174.68 2kpn s THR 14 N 1.69 4.73 -0.05 3.68 2.01 0.41 -4.97 115.64 123.14 2kpn s THR 14 Ca 0.05 0.49 0.01 0.00 0.31 0.00 0.00 61.69 62.55 2kpn s THR 14 Cb -0.18 -4.25 0.02 0.00 0.01 0.00 0.00 72.50 68.10 2kpn s THR 14 CO 0.10 -0.59 -0.05 -0.69 -0.69 0.00 0.00 174.62 172.71 2kpn s VAL 15 N 3.10 0.57 0.04 3.82 1.01 -1.26 -2.42 120.40 125.25 2kpn s VAL 15 Ca 0.28 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 2kpn s VAL 15 Cb -0.13 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.60 2kpn s VAL 15 CO 0.20 0.24 1.21 -2.16 0.00 0.00 0.00 175.10 174.58 2kpn s PRO 16 N 0.95 4.41 0.57 2.72 0.04 -1.26 -4.93 135.00 137.50 2kpn s PRO 16 Ca -0.11 1.76 0.38 0.00 0.04 0.00 0.00 61.00 63.07 2kpn s PRO 16 Cb -0.14 -3.40 1.84 0.00 0.04 0.00 0.00 34.50 32.84 2kpn s PRO 16 CO 0.00 -0.31 2.13 -0.24 0.04 0.00 0.00 177.00 178.63 2kpn h VAL 17 N 4.63 0.00 -2.81 -0.36 3.04 -1.95 -3.38 116.25 115.41 2kpn h VAL 17 Ca -0.40 -0.21 -0.05 0.00 -1.01 0.00 0.00 66.70 65.02 2kpn h VAL 17 Cb 1.20 1.16 -0.15 0.00 -2.01 0.00 0.00 31.29 31.48 2kpn h VAL 17 CO 0.83 0.00 0.06 -0.83 -1.01 0.00 0.00 177.57 176.62 2kpn s GLY 18 N -4.08 -0.45 -0.08 3.17 0.00 -1.26 -1.87 107.32 102.76 2kpn s GLY 18 Ca -0.02 0.57 -0.16 0.00 0.00 0.00 0.00 44.72 45.11 2kpn s GLY 18 CO 0.44 0.27 0.38 0.00 0.00 0.00 0.00 173.10 174.19 2kpn s ALA 19 N -2.66 -0.95 -0.14 3.20 0.00 0.15 -4.87 121.76 116.49 2kpn s ALA 19 Ca -0.04 0.76 0.02 0.00 0.00 0.00 0.00 51.96 52.70 2kpn s ALA 19 Cb -0.00 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.88 2kpn s ALA 19 CO -0.03 -0.24 -0.21 0.99 0.00 0.00 0.00 175.76 176.27 2kpn s THR 20 N -0.65 1.99 0.35 0.00 2.01 -1.26 -0.70 115.64 117.37 2kpn s THR 20 Ca -0.07 -0.94 0.05 0.00 0.31 0.00 0.00 61.69 61.04 2kpn s THR 20 Cb -0.04 -1.77 -0.03 0.00 0.01 0.00 0.00 72.50 70.68 2kpn s THR 20 CO 0.03 0.54 0.19 0.27 -0.69 0.00 0.00 174.62 174.96 2kpn s ILE 21 N 0.86 0.29 0.34 1.82 -4.36 -0.60 -4.99 121.20 114.55 2kpn s ILE 21 Ca -0.06 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.39 2kpn s ILE 21 Cb -0.15 -2.45 -0.07 0.00 1.25 0.00 0.00 42.46 41.04 2kpn s ILE 21 CO -0.02 0.00 -0.00 -1.00 0.24 0.00 0.00 174.94 174.15 2kpn s HIS 22 N -3.43 2.15 -0.22 1.37 3.76 -1.26 -0.71 115.29 116.95 2kpn s HIS 22 Ca 0.33 -0.76 -0.28 0.00 -0.15 0.00 0.00 55.06 54.20 2kpn s HIS 22 Cb 0.03 -1.38 -0.04 0.00 1.11 0.00 0.00 32.58 32.30 2kpn s HIS 22 CO 0.20 0.26 2.01 0.08 -0.85 0.00 0.00 174.74 176.44 2kpn s VAL 23 N -2.99 3.21 0.00 -0.90 1.01 0.11 -1.45 120.40 119.39 2kpn s VAL 23 Ca 0.34 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.54 2kpn s VAL 23 Cb 0.07 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.19 2kpn s VAL 23 CO 0.15 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.72 2kpn n GLY 24 N 5.43 0.64 3.94 4.51 0.00 0.03 -4.63 105.19 115.10 2kpn n GLY 24 Ca 0.26 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.92 4.73 0.16 1.61 1.11 -0.53 -5.11 116.67 116.72 2kpn s ASP 25 Ca 0.00 0.35 0.09 0.00 0.18 0.00 0.00 52.55 53.17 2kpn s ASP 25 Cb 0.00 -0.97 -0.04 0.00 1.07 0.00 0.00 42.92 42.98 2kpn s ASP 25 CO 0.00 -1.64 -0.11 -0.94 1.18 0.00 0.00 175.17 173.66 2kpn s SER 26 N -4.54 4.20 -0.29 0.27 1.04 -1.26 -4.88 113.70 108.23 2kpn s SER 26 Ca 0.61 -0.56 -0.05 0.00 0.48 0.00 0.00 55.95 56.44 2kpn s SER 26 Cb -0.10 -0.70 0.16 0.00 0.10 0.00 0.00 66.02 65.48 2kpn s SER 26 CO 0.45 0.12 0.60 0.12 0.98 0.00 0.00 173.24 175.51 2kpn s PHE 27 N -1.56 -1.44 -0.44 5.02 5.36 -1.26 -5.03 117.98 118.64 2kpn s PHE 27 Ca 0.23 1.89 -0.10 0.00 -0.96 0.00 0.00 56.93 57.99 2kpn s PHE 27 Cb -0.09 0.62 0.09 0.00 -0.34 0.00 0.00 43.02 43.29 2kpn s PHE 27 CO 0.14 -0.78 0.30 0.08 -1.46 0.00 0.00 175.22 173.51 2kpn s VAL 28 N 2.85 4.41 0.38 3.12 1.01 -1.26 -4.98 120.40 125.93 2kpn s VAL 28 Ca 0.10 -1.41 0.08 0.00 0.00 0.00 0.00 61.98 60.75 2kpn s VAL 28 Cb -0.14 -3.73 0.30 0.00 0.00 0.00 0.00 36.38 32.82 2kpn s VAL 28 CO -0.20 -0.57 1.96 1.55 0.00 0.00 0.00 175.10 177.84 2kpn h PRO 29 N 8.48 0.63 0.00 2.72 0.13 -2.00 -1.24 132.00 140.73 2kpn h PRO 29 Ca -0.24 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2kpn h PRO 29 Cb 1.09 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2kpn h PRO 29 CO 0.80 0.42 0.00 -1.33 -0.23 0.00 0.00 178.00 177.66 2kpn n MET 30 N -4.48 0.35 -0.03 0.86 2.81 -1.26 -2.81 117.12 112.56 2kpn n MET 30 Ca 0.10 0.03 -0.04 0.00 -1.81 0.00 0.00 57.70 55.98 2kpn n MET 30 Cb 0.27 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 31.15 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 -1.31 1.79 1.00 3.04 0.00 -0.49 -4.24 120.51 120.31 2kpn n ALA 31 Ca 0.12 -0.85 0.13 0.00 0.00 0.00 0.00 53.44 52.84 2kpn n ALA 31 Cb 0.23 -0.66 0.40 0.00 0.00 0.00 0.00 19.45 19.42 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 -2.81 0.00 -5.15 0.00 -0.58 -1.08 -4.84 120.64 106.18 2kpn n GLU 32 Ca -0.18 -0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.24 2kpn n GLU 32 Cb 0.96 -1.50 -0.16 0.00 -0.57 0.00 0.00 31.44 30.17 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 -3.00 2.29 -0.03 2.62 1.01 -1.13 -4.47 120.40 117.69 2kpn s VAL 33 Ca 0.12 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 2kpn s VAL 33 Cb 0.18 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.71 2kpn s VAL 33 CO 0.63 0.56 0.07 -0.22 0.00 0.00 0.00 175.10 176.15 2kpn s LEU 34 N -0.04 1.47 -0.15 3.92 0.20 -1.02 -4.87 118.68 118.20 2kpn s LEU 34 Ca -0.06 0.14 0.01 0.00 0.69 0.00 0.00 54.13 54.91 2kpn s LEU 34 Cb -0.15 0.19 0.02 0.00 -0.43 0.00 0.00 46.19 45.82 2kpn s LEU 34 CO 0.05 -0.06 -0.18 0.00 -0.29 0.00 0.00 176.35 175.87 2kpn s ALA 35 N 0.40 2.04 -0.13 5.97 0.00 -1.26 -0.45 121.76 128.32 2kpn s ALA 35 Ca -0.03 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 50.95 2kpn s ALA 35 Cb -0.04 -1.03 0.01 0.00 0.00 0.00 0.00 23.12 22.06 2kpn s ALA 35 CO -0.01 -0.24 -0.19 0.42 0.00 0.00 0.00 175.76 175.74 2kpn s ILE 36 N 1.20 1.82 0.03 0.00 -1.09 -0.16 -0.87 121.20 122.13 2kpn s ILE 36 Ca 0.00 -0.83 0.05 0.00 -2.23 0.00 0.00 60.65 57.65 2kpn s ILE 36 Cb -0.14 -1.63 -0.03 0.00 -1.58 0.00 0.00 42.46 39.07 2kpn s ILE 36 CO -0.08 0.50 -0.12 -0.62 -1.23 0.00 0.00 174.94 173.39 2kpn s ASP 37 N 0.98 4.21 0.07 3.58 2.15 0.27 -0.63 116.67 127.30 2kpn s ASP 37 Ca -0.05 -0.30 -0.16 0.00 0.43 0.00 0.00 52.55 52.47 2kpn s ASP 37 Cb -0.15 -0.84 -0.14 0.00 -0.30 0.00 0.00 42.92 41.50 2kpn s ASP 37 CO -0.04 0.26 1.32 0.11 -0.17 0.00 0.00 175.17 176.66 2kpn h LYS 38 N 4.48 0.60 0.00 4.34 1.57 -1.87 -2.08 116.57 123.61 2kpn h LYS 38 Ca -0.48 -0.40 -0.05 0.00 -1.87 0.00 0.00 60.65 57.84 2kpn h LYS 38 Cb 1.16 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 2kpn h LYS 38 CO 0.51 1.02 -0.37 0.93 -0.57 0.00 0.00 179.45 180.97 2kpn h GLU 39 N 0.27 0.00 0.00 3.15 3.07 -1.97 -3.40 114.58 115.71 2kpn h GLU 39 Ca 0.00 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.69 2kpn h GLU 39 Cb 1.02 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.90 2kpn h GLU 39 CO 0.09 0.57 -0.84 0.22 -1.40 0.00 0.00 179.01 177.65 2kpn h ASP 40 N -1.00 0.00 0.00 1.42 3.58 -1.95 -3.50 116.42 114.97 2kpn h ASP 40 Ca -0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.37 2kpn h ASP 40 Cb 0.72 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.77 2kpn h ASP 40 CO -0.05 0.84 0.00 0.61 -2.88 0.00 0.00 179.24 177.76 2kpn n GLY 41 N 1.23 -0.65 3.65 -0.78 0.00 -0.78 -4.93 105.19 102.93 2kpn n GLY 41 Ca 0.00 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 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 6.57 -0.16 1.61 -1.08 -1.26 -0.56 116.67 117.78 2kpn s ASP 42 Ca 0.00 2.00 0.17 0.00 -0.52 0.00 0.00 52.55 54.20 2kpn s ASP 42 Cb 0.00 -2.53 0.47 0.00 -1.46 0.00 0.00 42.92 39.40 2kpn s ASP 42 CO 0.00 -1.04 1.35 0.18 0.52 0.00 0.00 175.17 176.18 2kpn n LEU 43 N 7.61 3.49 -0.28 -1.34 4.77 -0.05 -4.74 117.00 126.48 2kpn n LEU 43 Ca 0.18 -3.03 0.07 0.00 -0.03 0.00 0.00 56.01 53.20 2kpn n LEU 43 Cb 0.44 -0.51 0.30 0.00 -2.33 0.00 0.00 43.42 41.32 2kpn n LEU 43 CO 0.63 0.68 1.23 0.74 -1.33 0.00 0.00 177.39 179.34 2kpn h THR 44 N 1.35 0.97 0.00 -5.08 2.02 -1.88 0.62 112.91 110.90 2kpn h THR 44 Ca 0.00 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.88 2kpn h THR 44 Cb 1.33 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2kpn h THR 44 CO 0.17 0.16 0.00 0.28 0.37 0.00 0.00 175.52 176.50 2kpn h SER 45 N 0.87 0.00 -0.46 4.18 0.02 -1.92 -2.66 113.55 113.58 2kpn h SER 45 Ca 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 2kpn h SER 45 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 2kpn h SER 45 CO -0.17 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.81 2kpn n LYS 46 N -3.01 2.26 -3.01 3.45 5.02 0.20 -4.84 118.16 118.22 2kpn n LYS 46 Ca 0.01 -1.73 -0.41 0.00 -2.02 0.00 0.00 58.31 54.16 2kpn n LYS 46 Cb 0.31 -1.44 -0.05 0.00 -0.02 0.00 0.00 35.03 33.83 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 -1.46 4.92 0.12 -0.18 1.01 -1.01 -3.89 121.20 120.72 2kpn s ILE 47 Ca 0.32 1.33 -0.10 0.00 0.00 0.00 0.00 60.65 62.20 2kpn s ILE 47 Cb 0.18 -4.02 -0.06 0.00 0.01 0.00 0.00 42.46 38.57 2kpn s ILE 47 CO 0.20 -0.01 0.45 -0.75 0.00 0.00 0.00 174.94 174.83 2kpn s LYS 48 N 2.58 3.79 0.01 2.79 2.20 0.62 -4.90 119.74 126.83 2kpn s LYS 48 Ca 0.30 0.22 0.00 0.00 -0.36 0.00 0.00 55.97 56.13 2kpn s LYS 48 Cb -0.15 -2.92 -0.04 0.00 -1.51 0.00 0.00 37.83 33.21 2kpn s LYS 48 CO 0.08 0.50 0.09 0.08 -0.36 0.00 0.00 175.35 175.74 2kpn s VAL 49 N -1.50 4.74 -0.04 4.02 1.01 -1.26 -1.89 120.40 125.47 2kpn s VAL 49 Ca 0.37 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2kpn s VAL 49 Cb -0.14 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.08 2kpn s VAL 49 CO 0.19 0.31 -0.04 -0.62 0.00 0.00 0.00 175.10 174.94 2kpn s ASP 50 N -1.87 0.83 0.00 3.32 2.15 0.49 -4.98 116.67 116.61 2kpn s ASP 50 Ca 0.24 -0.11 0.00 0.00 0.43 0.00 0.00 52.55 53.11 2kpn s ASP 50 Cb -0.12 -0.40 0.00 0.00 -0.30 0.00 0.00 42.92 42.09 2kpn s ASP 50 CO 0.16 -0.06 0.00 0.61 -0.17 0.00 0.00 175.17 175.71 2kpn n GLY 51 N 4.03 0.85 3.31 2.66 0.00 -1.26 -1.08 105.19 113.69 2kpn n GLY 51 Ca -0.26 -2.08 -0.14 0.00 0.00 0.00 0.00 46.02 43.54 2kpn n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kpn s GLU 52 N -1.41 0.62 -0.29 1.61 0.41 -1.26 -4.97 118.70 113.40 2kpn s GLU 52 Ca 0.00 0.27 -0.02 0.00 -0.41 0.00 0.00 54.97 54.81 2kpn s GLU 52 Cb 0.00 0.29 0.04 0.00 -1.78 0.00 0.00 34.13 32.68 2kpn s GLU 52 CO 0.00 -0.13 -0.00 0.08 -0.49 0.00 0.00 175.26 174.71 2kpn s VAL 53 N -0.49 3.08 0.23 2.63 1.01 -1.26 -4.82 120.40 120.78 2kpn s VAL 53 Ca -0.06 -1.24 -0.30 0.00 0.00 0.00 0.00 61.98 60.38 2kpn s VAL 53 Cb -0.03 -2.71 -0.09 0.00 0.00 0.00 0.00 36.38 33.55 2kpn s VAL 53 CO 0.03 -0.03 1.27 -1.81 0.00 0.00 0.00 175.10 174.56 2kpn s ASP 54 N 1.29 6.94 0.00 3.32 1.11 -1.26 -4.94 116.67 123.13 2kpn s ASP 54 Ca -0.03 2.42 0.15 0.00 0.18 0.00 0.00 52.55 55.27 2kpn s ASP 54 Cb -0.19 -2.62 -0.06 0.00 1.07 0.00 0.00 42.92 41.12 2kpn s ASP 54 CO -0.01 -0.47 0.75 0.35 1.18 0.00 0.00 175.17 176.97 2kpn n THR 55 N 2.12 0.00 0.95 -1.27 -2.24 -1.26 -4.31 114.28 108.27 2kpn n THR 55 Ca 0.04 -0.27 0.12 0.00 -2.27 0.00 0.00 64.05 61.67 2kpn n THR 55 Cb 0.43 1.11 0.11 0.00 -2.10 0.00 0.00 70.33 69.88 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 -0.60 0.03 -3.78 4.28 5.66 -1.26 -0.79 114.28 117.82 2kpn n THR 56 Ca 0.05 -0.51 -0.13 0.00 -3.05 0.00 0.00 64.05 60.41 2kpn n THR 56 Cb 0.29 1.47 -0.14 0.00 -1.55 0.00 0.00 70.33 70.40 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 -1.95 0.13 0.36 1.09 2.20 -1.26 -4.94 119.74 115.38 2kpn s LYS 57 Ca 0.28 0.32 -0.25 0.00 -0.36 0.00 0.00 55.97 55.96 2kpn s LYS 57 Cb 0.20 -0.07 -0.09 0.00 -1.51 0.00 0.00 37.83 36.36 2kpn s LYS 57 CO 0.30 -0.11 1.02 0.00 -0.36 0.00 0.00 175.35 176.20 2kpn s ALA 58 N 0.74 3.17 0.00 3.13 0.00 -1.26 -4.79 121.76 122.75 2kpn s ALA 58 Ca -0.05 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.58 2kpn s ALA 58 Cb -0.07 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2kpn s ALA 58 CO -0.04 -0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.05 2kpn n GLY 59 N 0.54 2.37 3.65 0.00 0.00 -0.83 -4.95 105.19 105.97 2kpn n GLY 59 Ca 0.03 -1.12 -0.38 0.00 0.00 0.00 0.00 46.02 44.55 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 5.24 0.00 2.61 2.01 -1.26 -0.55 115.64 121.69 2kpn s THR 60 Ca 0.00 0.51 0.08 0.00 0.31 0.00 0.00 61.69 62.59 2kpn s THR 60 Cb 0.00 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.83 2kpn s THR 60 CO 0.00 0.25 -0.25 -0.31 -0.69 0.00 0.00 174.62 173.62 2kpn s TYR 61 N 1.48 2.36 -0.12 4.92 1.51 0.32 -4.99 117.35 122.83 2kpn s TYR 61 Ca 0.14 -0.41 -0.00 0.00 -1.01 0.00 0.00 57.07 55.79 2kpn s TYR 61 Cb -0.15 -1.47 -0.02 0.00 -0.11 0.00 0.00 41.96 40.21 2kpn s TYR 61 CO 0.08 0.03 -0.12 0.08 -1.11 0.00 0.00 175.55 174.52 2kpn s VAL 62 N -0.69 3.19 -0.00 0.71 1.01 -1.26 -0.21 120.40 123.15 2kpn s VAL 62 Ca 0.11 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.53 2kpn s VAL 62 Cb -0.10 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 2kpn s VAL 62 CO 0.00 0.53 -0.19 -0.76 0.00 0.00 0.00 175.10 174.68 2kpn s LEU 63 N 0.20 2.52 -0.08 3.92 1.43 0.14 -4.60 118.68 122.21 2kpn s LEU 63 Ca -0.07 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.70 2kpn s LEU 63 Cb -0.15 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 2kpn s LEU 63 CO 0.05 0.30 -0.15 -0.89 0.23 0.00 0.00 176.35 175.89 2kpn s THR 64 N -0.78 2.93 -0.05 5.49 2.01 -0.24 -0.68 115.64 124.32 2kpn s THR 64 Ca 0.12 -0.75 0.05 0.00 0.31 0.00 0.00 61.69 61.42 2kpn s THR 64 Cb -0.10 -2.16 -0.00 0.00 0.01 0.00 0.00 72.50 70.24 2kpn s THR 64 CO 0.02 0.57 -0.19 -0.31 -0.69 0.00 0.00 174.62 174.02 2kpn s TYR 65 N -0.31 1.87 -0.01 4.92 2.02 0.36 -0.38 117.35 125.83 2kpn s TYR 65 Ca 0.02 -0.55 0.01 0.00 -0.37 0.00 0.00 57.07 56.17 2kpn s TYR 65 Cb -0.13 -1.25 0.01 0.00 -0.40 0.00 0.00 41.96 40.19 2kpn s TYR 65 CO 0.03 -0.19 -0.01 0.99 -1.57 0.00 0.00 175.55 174.80 2kpn s THR 66 N 0.02 0.16 0.04 -0.71 2.01 -0.79 -0.78 115.64 115.57 2kpn s THR 66 Ca -0.04 0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.00 2kpn s THR 66 Cb -0.12 -0.20 -0.02 0.00 0.01 0.00 0.00 72.50 72.17 2kpn s THR 66 CO 0.03 0.09 -0.11 0.54 -0.69 0.00 0.00 174.62 174.48 2kpn s VAL 67 N 0.49 0.89 -0.10 3.82 0.11 -0.33 -0.28 120.40 125.00 2kpn s VAL 67 Ca -0.05 -0.94 0.04 0.00 -2.93 0.00 0.00 61.98 58.11 2kpn s VAL 67 Cb -0.07 -0.83 -0.00 0.00 -1.53 0.00 0.00 36.38 33.94 2kpn s VAL 67 CO -0.01 -0.09 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.55 2kpn s THR 68 N -0.90 2.13 0.58 5.04 2.01 -1.25 -1.52 115.64 121.72 2kpn s THR 68 Ca -0.01 -1.00 -0.15 0.00 0.31 0.00 0.00 61.69 60.84 2kpn s THR 68 Cb -0.08 -1.81 -0.05 0.00 0.01 0.00 0.00 72.50 70.58 2kpn s THR 68 CO 0.01 0.56 1.03 -0.62 -0.69 0.00 0.00 174.62 174.91 2kpn s ASP 69 N 0.31 6.06 0.44 3.53 -1.08 0.05 -4.94 116.67 121.04 2kpn s ASP 69 Ca -0.18 1.68 0.17 0.00 -0.52 0.00 0.00 52.55 53.70 2kpn s ASP 69 Cb -0.18 -2.52 1.09 0.00 -1.46 0.00 0.00 42.92 39.86 2kpn s ASP 69 CO 0.08 -0.98 1.93 -1.28 0.52 0.00 0.00 175.17 175.45 2kpn h SER 70 N 0.42 0.34 1.18 -0.34 0.87 -1.98 0.80 113.55 114.85 2kpn h SER 70 Ca -0.46 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2kpn h SER 70 Cb 1.20 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 2kpn h SER 70 CO 0.59 0.18 0.00 0.29 -0.53 0.00 0.00 176.83 177.36 2kpn n LYS 71 N -4.46 0.24 0.00 2.24 4.76 -1.26 -4.89 118.16 114.78 2kpn n LYS 71 Ca 0.13 0.30 0.00 0.00 -2.87 0.00 0.00 58.31 55.88 2kpn n LYS 71 Cb 0.53 -1.84 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 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 0.78 0.98 3.56 0.72 0.00 0.27 -5.07 105.19 106.44 2kpn n GLY 72 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 1.78 -0.22 1.61 3.76 -1.25 -4.76 115.29 114.20 2kpn s HIS 73 Ca 0.00 0.70 -0.12 0.00 -0.15 0.00 0.00 55.06 55.48 2kpn s HIS 73 Cb 0.00 -4.15 -0.05 0.00 1.11 0.00 0.00 32.58 29.49 2kpn s HIS 73 CO 0.00 -2.35 0.24 -2.00 -0.85 0.00 0.00 174.74 169.78 2kpn s GLU 74 N 6.60 4.11 0.14 1.40 -6.30 -1.26 -0.77 118.70 122.62 2kpn s GLU 74 Ca 0.66 -0.10 0.07 0.00 -2.50 0.00 0.00 54.97 53.11 2kpn s GLU 74 Cb -0.14 -3.53 -0.04 0.00 0.00 0.00 0.00 34.13 30.42 2kpn s GLU 74 CO 0.23 0.03 -0.17 0.14 0.02 0.00 0.00 175.26 175.51 2kpn s VAL 75 N 1.13 1.62 -0.01 3.70 -7.23 -0.58 -5.00 120.40 114.03 2kpn s VAL 75 Ca 0.12 -1.78 -0.07 0.00 -1.81 0.00 0.00 61.98 58.44 2kpn s VAL 75 Cb -0.14 -1.68 0.00 0.00 0.56 0.00 0.00 36.38 35.12 2kpn s VAL 75 CO 0.06 -0.31 0.13 0.28 -0.31 0.00 0.00 175.10 174.95 2kpn s THR 76 N -1.94 0.07 0.03 5.32 -1.32 -1.26 -1.18 115.64 115.35 2kpn s THR 76 Ca 0.12 -0.56 -0.11 0.00 -1.21 0.00 0.00 61.69 59.93 2kpn s THR 76 Cb -0.06 -0.38 0.01 0.00 -1.51 0.00 0.00 72.50 70.56 2kpn s THR 76 CO 0.05 -0.31 0.23 0.00 -2.21 0.00 0.00 174.62 172.38 2kpn s ALA 77 N -1.09 -0.48 0.14 11.08 0.00 0.04 -5.00 121.76 126.45 2kpn s ALA 77 Ca -0.12 -0.13 0.09 0.00 0.00 0.00 0.00 51.96 51.80 2kpn s ALA 77 Cb -0.06 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 2kpn s ALA 77 CO 0.01 -0.34 -0.22 0.15 0.00 0.00 0.00 175.76 175.36 2kpn s LYS 78 N -2.28 1.27 -0.07 0.00 1.02 -1.26 -0.49 119.74 117.94 2kpn s LYS 78 Ca -0.07 -1.31 0.02 0.00 0.02 0.00 0.00 55.97 54.62 2kpn s LYS 78 Cb -0.02 -1.53 0.02 0.00 -0.52 0.00 0.00 37.83 35.78 2kpn s LYS 78 CO -0.02 0.34 -0.10 -1.14 -0.92 0.00 0.00 175.35 173.51 2kpn s GLN 79 N -2.29 1.46 -0.41 1.68 0.74 0.15 -4.43 119.66 116.55 2kpn s GLN 79 Ca 0.12 -0.31 -0.15 0.00 0.05 0.00 0.00 55.36 55.07 2kpn s GLN 79 Cb -0.09 -1.29 0.02 0.00 1.10 0.00 0.00 33.01 32.75 2kpn s GLN 79 CO 0.06 -0.04 0.30 0.99 -0.55 0.00 0.00 175.29 176.05 2kpn s THR 80 N 0.89 5.22 -0.28 -0.34 2.01 -0.78 -0.68 115.64 121.68 2kpn s THR 80 Ca -0.11 -0.70 -0.08 0.00 0.31 0.00 0.00 61.69 61.11 2kpn s THR 80 Cb -0.15 -3.92 -0.02 0.00 0.01 0.00 0.00 72.50 68.42 2kpn s THR 80 CO 0.01 -0.33 0.11 -0.69 -0.69 0.00 0.00 174.62 173.03 2kpn s VAL 81 N 1.67 4.44 -0.18 3.82 1.01 0.70 -0.68 120.40 131.19 2kpn s VAL 81 Ca 0.05 -0.31 -0.08 0.00 0.00 0.00 0.00 61.98 61.64 2kpn s VAL 81 Cb -0.19 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 2kpn s VAL 81 CO 0.10 0.20 0.09 -0.89 0.00 0.00 0.00 175.10 174.59 2kpn s THR 82 N 1.61 5.05 -0.17 3.92 2.01 0.12 -0.52 115.64 127.66 2kpn s THR 82 Ca 0.05 0.06 -0.07 0.00 0.31 0.00 0.00 61.69 62.04 2kpn s THR 82 Cb -0.16 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 69.04 2kpn s THR 82 CO 0.05 0.47 0.05 -0.69 -0.69 0.00 0.00 174.62 173.81 2kpn s VAL 83 N 0.21 4.67 0.21 3.82 1.01 0.29 -1.56 120.40 129.05 2kpn s VAL 83 Ca 0.06 -0.08 0.10 0.00 0.00 0.00 0.00 61.98 62.06 2kpn s VAL 83 Cb -0.12 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 2kpn s VAL 83 CO -0.00 0.48 -0.13 -0.54 0.00 0.00 0.00 175.10 174.91 2kpn s LYS 84 N 0.21 1.93 0.06 2.72 1.02 0.11 -1.96 119.74 123.82 2kpn s LYS 84 Ca 0.03 -1.40 -0.18 0.00 0.02 0.00 0.00 55.97 54.44 2kpn s LYS 84 Cb -0.12 -2.05 -0.06 0.00 -0.52 0.00 0.00 37.83 35.08 2kpn s LYS 84 CO 0.01 0.41 0.53 0.08 -0.92 0.00 0.00 175.35 175.45 2kpn s VAL 85 N -1.87 4.81 0.00 3.17 1.01 -1.26 -0.71 120.40 125.54 2kpn s VAL 85 Ca 0.25 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.35 2kpn s VAL 85 Cb -0.08 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.45 2kpn s VAL 85 CO 0.15 0.56 0.00 0.54 0.00 0.00 0.00 175.10 176.34 2kpn n ARG 86 N 1.73 0.00 -2.99 2.72 1.74 -1.26 -4.89 116.66 113.70 2kpn n ARG 86 Ca -0.11 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.55 2kpn n ARG 86 Cb 0.51 -0.28 -0.05 0.00 -1.02 0.00 0.00 32.46 31.62 2kpn n ARG 86 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2kpn s GLU 87 N 0.00 3.92 0.69 5.56 8.01 -1.26 -5.06 118.70 130.57 2kpn s GLU 87 Ca 0.00 0.48 0.00 0.00 0.01 0.00 0.00 54.97 55.46 2kpn s GLU 87 Cb 0.00 -3.74 0.14 0.00 -4.31 0.00 0.00 34.13 26.22 2kpn s GLU 87 CO 0.00 -0.67 0.95 0.39 0.01 0.00 0.00 175.26 175.95 2kpn n GLU 88 N 6.14 -0.06 -3.06 1.61 1.02 -1.26 -5.08 120.64 119.94 2kpn n GLU 88 Ca 0.02 -2.62 -0.39 0.00 -0.02 0.00 0.00 57.16 54.15 2kpn n GLU 88 Cb 0.48 -0.62 -0.06 0.00 -0.02 0.00 0.00 31.44 31.22 2kpn n GLU 88 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2kpn s VAL 89 N -2.94 4.47 0.28 2.62 1.01 -1.26 -4.98 120.40 119.60 2kpn s VAL 89 Ca 0.63 1.56 0.22 0.00 0.00 0.00 0.00 61.98 64.39 2kpn s VAL 89 Cb -0.04 -4.06 0.20 0.00 0.00 0.00 0.00 36.38 32.48 2kpn s VAL 89 CO 0.42 0.51 1.88 0.11 0.00 0.00 0.00 175.10 178.02 2kpn h LYS 90 N 4.30 0.00 -6.18 2.72 1.57 -2.04 -3.45 116.57 113.49 2kpn h LYS 90 Ca -0.48 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.71 2kpn h LYS 90 Cb 1.21 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.44 2kpn h LYS 90 CO 0.65 0.26 -0.57 -0.80 -0.57 0.00 0.00 179.45 178.42 2kpn s ASN 91 N -6.38 5.55 -0.24 0.86 -0.87 -1.26 -5.07 114.94 107.53 2kpn s ASN 91 Ca -0.01 -0.08 -0.29 0.00 -1.57 0.00 0.00 52.86 50.91 2kpn s ASN 91 Cb 0.12 -1.47 -0.02 0.00 -0.02 0.00 0.00 41.25 39.86 2kpn s ASN 91 CO 0.65 0.10 1.52 -1.81 -2.57 0.00 0.00 177.10 174.99 2kpn s ASP 92 N -2.86 6.48 -0.42 -1.22 1.11 -1.26 -4.90 116.67 113.60 2kpn s ASP 92 Ca 0.30 1.51 0.01 0.00 0.18 0.00 0.00 52.55 54.56 2kpn s ASP 92 Cb -0.11 -2.53 0.23 0.00 1.07 0.00 0.00 42.92 41.58 2kpn s ASP 92 CO 0.23 -1.19 0.99 1.17 1.18 0.00 0.00 175.17 177.55 2kpn n LYS 93 N 7.53 0.41 -2.33 8.23 4.81 -1.26 -5.09 118.16 130.45 2kpn n LYS 93 Ca 0.17 -1.33 -0.35 0.00 -0.87 0.00 0.00 58.31 55.94 2kpn n LYS 93 Cb 0.46 -0.80 -0.04 0.00 0.02 0.00 0.00 35.03 34.67 2kpn n LYS 93 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2kpn s PRO 94 N 0.64 3.18 0.00 1.64 0.04 -1.26 -4.79 135.00 134.45 2kpn s PRO 94 Ca 0.28 -1.05 0.18 0.00 0.04 0.00 0.00 61.00 60.45 2kpn s PRO 94 Cb 0.15 -5.29 1.06 0.00 0.04 0.00 0.00 34.50 30.46 2kpn s PRO 94 CO -0.13 -2.86 1.67 0.44 0.04 0.00 0.00 177.00 176.16 2kpn n ILE 95 N 7.24 0.00 -3.46 0.56 -5.35 -1.26 -4.81 119.36 112.28 2kpn n ILE 95 Ca 0.40 0.00 -0.23 0.00 -0.27 0.00 0.00 62.75 62.65 2kpn n ILE 95 Cb 0.48 -0.29 0.03 0.00 -1.74 0.00 0.00 39.64 38.12 2kpn n ILE 95 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2kpn s LEU 96 N -1.57 2.86 0.00 7.28 1.43 -1.26 -5.30 118.68 122.12 2kpn s LEU 96 Ca 0.27 -1.08 0.27 0.00 -1.03 0.00 0.00 54.13 52.56 2kpn s LEU 96 Cb 0.12 -1.34 1.63 0.00 0.03 0.00 0.00 46.19 46.63 2kpn s LEU 96 CO 0.20 -1.28 1.98 -0.62 0.23 0.00 0.00 176.35 176.87