#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 2.86 2.85 3.03 0.00 -1.26 -5.00 105.19 107.68 2kpn n GLY 2 Ca 0.00 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 2kpn n GLY 2 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kpn s ASN 3 N 0.00 4.21 -0.20 1.61 0.01 -1.26 -4.96 114.94 114.35 2kpn s ASN 3 Ca 0.00 -2.28 -0.15 0.00 -0.71 0.00 0.00 52.86 49.72 2kpn s ASN 3 Cb 0.00 -1.28 -0.20 0.00 0.41 0.00 0.00 41.25 40.19 2kpn s ASN 3 CO 0.00 -0.34 0.14 0.61 -1.51 0.00 0.00 177.10 176.00 2kpn n GLY 4 N 4.04 -0.68 3.56 0.66 0.00 -1.26 -4.80 105.19 106.70 2kpn n GLY 4 Ca 0.04 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 2kpn n GLY 4 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kpn s GLU 5 N -2.45 2.78 0.39 1.61 2.12 -1.26 -4.99 118.70 116.90 2kpn s GLU 5 Ca -0.29 0.64 -0.06 0.00 0.36 0.00 0.00 54.97 55.62 2kpn s GLU 5 Cb 0.08 -4.34 -0.05 0.00 0.26 0.00 0.00 34.13 30.08 2kpn s GLU 5 CO 0.62 -2.56 0.69 -0.08 -0.54 0.00 0.00 175.26 173.40 2kpn s THR 6 N 8.46 4.93 -0.79 -1.70 -1.32 -1.26 -5.03 115.64 118.94 2kpn s THR 6 Ca 0.66 0.18 -0.25 0.00 -1.21 0.00 0.00 61.69 61.07 2kpn s THR 6 Cb -0.13 -3.80 0.04 0.00 -1.51 0.00 0.00 72.50 67.10 2kpn s THR 6 CO 0.22 -0.59 1.27 -0.44 -2.21 0.00 0.00 174.62 172.87 2kpn s SER 7 N -3.61 6.24 -0.07 8.08 0.01 -1.26 -5.00 113.70 118.09 2kpn s SER 7 Ca 0.46 -0.76 -0.19 0.00 1.31 0.00 0.00 55.95 56.77 2kpn s SER 7 Cb -0.10 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.54 2kpn s SER 7 CO 0.36 -1.70 0.54 -0.62 0.41 0.00 0.00 173.24 172.23 2kpn s ASP 8 N 3.96 6.83 -0.23 2.44 2.15 -1.26 -5.07 116.67 125.49 2kpn s ASP 8 Ca 0.35 0.99 -0.11 0.00 0.43 0.00 0.00 52.55 54.21 2kpn s ASP 8 Cb -0.08 -2.33 -0.05 0.00 -0.30 0.00 0.00 42.92 40.17 2kpn s ASP 8 CO 0.09 0.04 0.17 -0.76 -0.17 0.00 0.00 175.17 174.54 2kpn s LEU 9 N 0.28 4.14 0.82 -1.34 1.43 -1.26 -5.09 118.68 117.67 2kpn s LEU 9 Ca 0.29 0.18 -0.13 0.00 -1.03 0.00 0.00 54.13 53.43 2kpn s LEU 9 Cb -0.17 -2.14 0.08 0.00 0.03 0.00 0.00 46.19 43.99 2kpn s LEU 9 CO 0.14 0.08 1.09 -1.84 0.23 0.00 0.00 176.35 176.05 2kpn n GLU 10 N 4.10 0.11 -2.54 1.70 0.00 -1.26 -4.65 120.64 118.09 2kpn n GLU 10 Ca -0.15 0.11 -0.37 0.00 0.00 0.00 0.00 57.16 56.75 2kpn n GLU 10 Cb 0.52 -2.34 -0.04 0.00 0.00 0.00 0.00 31.44 29.57 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 -4.01 4.22 -0.61 3.44 0.04 -1.26 -4.79 135.00 132.03 2kpn s PRO 11 Ca 0.71 1.54 -0.26 0.00 0.04 0.00 0.00 61.00 63.03 2kpn s PRO 11 Cb -0.29 -2.62 0.04 0.00 0.04 0.00 0.00 34.50 31.67 2kpn s PRO 11 CO 0.53 -0.10 1.12 0.21 0.04 0.00 0.00 177.00 178.81 2kpn s LYS 12 N -2.37 3.37 -0.51 4.56 2.47 0.81 -4.88 119.74 123.19 2kpn s LYS 12 Ca 0.56 -0.08 -0.22 0.00 -1.56 0.00 0.00 55.97 54.68 2kpn s LYS 12 Cb -0.23 -4.08 0.04 0.00 -1.46 0.00 0.00 37.83 32.11 2kpn s LYS 12 CO 0.29 -1.74 0.78 -1.17 0.16 0.00 0.00 175.35 173.68 2kpn s LEU 13 N 4.77 4.47 -0.42 5.43 2.96 -1.26 -1.35 118.68 133.27 2kpn s LEU 13 Ca 0.36 -0.52 -0.21 0.00 -0.22 0.00 0.00 54.13 53.55 2kpn s LEU 13 Cb -0.10 -2.70 0.02 0.00 0.50 0.00 0.00 46.19 43.91 2kpn s LEU 13 CO 0.20 -1.03 0.64 -0.89 -1.32 0.00 0.00 176.35 173.95 2kpn s THR 14 N 3.29 4.84 -0.01 3.68 2.01 0.13 -4.95 115.64 124.64 2kpn s THR 14 Ca 0.24 0.19 0.03 0.00 0.31 0.00 0.00 61.69 62.47 2kpn s THR 14 Cb -0.15 -4.18 -0.01 0.00 0.01 0.00 0.00 72.50 68.18 2kpn s THR 14 CO 0.17 -0.54 -0.11 -0.69 -0.69 0.00 0.00 174.62 172.76 2kpn s VAL 15 N 2.79 0.85 0.45 3.82 1.01 -1.26 -1.64 120.40 126.43 2kpn s VAL 15 Ca 0.23 -0.46 -0.21 0.00 0.00 0.00 0.00 61.98 61.54 2kpn s VAL 15 Cb -0.14 -0.72 -0.09 0.00 0.00 0.00 0.00 36.38 35.43 2kpn s VAL 15 CO 0.18 0.24 1.01 -2.16 0.00 0.00 0.00 175.10 174.37 2kpn s PRO 16 N -0.23 4.00 0.24 2.72 0.04 -1.26 -4.99 135.00 135.53 2kpn s PRO 16 Ca 0.04 1.30 0.01 0.00 0.04 0.00 0.00 61.00 62.39 2kpn s PRO 16 Cb -0.04 -2.20 0.28 0.00 0.04 0.00 0.00 34.50 32.58 2kpn s PRO 16 CO -0.00 -0.25 1.62 -0.24 0.04 0.00 0.00 177.00 178.16 2kpn h VAL 17 N 1.78 1.31 0.00 -0.36 3.04 -1.96 -3.38 116.25 116.68 2kpn h VAL 17 Ca -0.49 -1.59 0.00 0.00 -1.01 0.00 0.00 66.70 63.61 2kpn h VAL 17 Cb 1.21 1.63 0.00 0.00 -2.01 0.00 0.00 31.29 32.11 2kpn h VAL 17 CO 0.60 0.49 0.00 0.61 -1.01 0.00 0.00 177.57 178.26 2kpn n GLY 18 N -0.03 0.31 3.44 3.17 0.00 -1.26 -1.10 105.19 109.72 2kpn n GLY 18 Ca -0.02 -0.82 -0.14 0.00 0.00 0.00 0.00 46.02 45.05 2kpn n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kpn s ALA 19 N -2.00 -1.33 -0.18 4.61 0.00 -0.46 -4.89 121.76 117.50 2kpn s ALA 19 Ca 0.00 1.51 0.01 0.00 0.00 0.00 0.00 51.96 53.47 2kpn s ALA 19 Cb 0.00 -0.87 0.01 0.00 0.00 0.00 0.00 23.12 22.27 2kpn s ALA 19 CO 0.00 -0.26 -0.18 0.99 0.00 0.00 0.00 175.76 176.31 2kpn s THR 20 N 0.25 2.27 0.37 0.00 2.01 -1.26 -0.29 115.64 118.99 2kpn s THR 20 Ca -0.00 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.15 2kpn s THR 20 Cb -0.04 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 2kpn s THR 20 CO 0.01 0.53 0.10 0.27 -0.69 0.00 0.00 174.62 174.83 2kpn s ILE 21 N 1.20 0.84 0.36 1.82 -4.36 0.18 -4.97 121.20 116.28 2kpn s ILE 21 Ca 0.02 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.50 2kpn s ILE 21 Cb -0.14 -2.54 -0.06 0.00 1.25 0.00 0.00 42.46 40.98 2kpn s ILE 21 CO -0.09 0.00 0.05 -1.00 0.24 0.00 0.00 174.94 174.14 2kpn s HIS 22 N -3.28 2.56 -0.22 1.37 3.76 -1.26 -0.69 115.29 117.53 2kpn s HIS 22 Ca 0.29 -0.48 -0.31 0.00 -0.15 0.00 0.00 55.06 54.41 2kpn s HIS 22 Cb 0.05 -1.61 -0.08 0.00 1.11 0.00 0.00 32.58 32.05 2kpn s HIS 22 CO 0.14 0.41 2.16 0.28 -0.85 0.00 0.00 174.74 176.89 2kpn n VAL 23 N -1.02 0.36 0.00 -0.90 0.31 0.86 -1.34 118.33 116.60 2kpn n VAL 23 Ca -0.04 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 2kpn n VAL 23 Cb 0.63 -2.22 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 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 5.75 1.45 3.70 2.92 0.00 -0.32 -4.66 105.19 114.04 2kpn n GLY 24 Ca 0.32 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.58 7.02 0.23 1.61 1.01 -0.45 -5.03 116.67 120.48 2kpn s ASP 25 Ca 0.00 2.01 -0.20 0.00 0.71 0.00 0.00 52.55 55.07 2kpn s ASP 25 Cb 0.00 -2.57 -0.08 0.00 1.01 0.00 0.00 42.92 41.27 2kpn s ASP 25 CO 0.00 -0.55 0.74 -0.44 0.21 0.00 0.00 175.17 175.13 2kpn s SER 26 N 1.27 7.08 -0.09 0.27 0.01 -1.26 -4.81 113.70 116.17 2kpn s SER 26 Ca 0.59 1.45 0.04 0.00 1.31 0.00 0.00 55.95 59.34 2kpn s SER 26 Cb -0.29 -2.43 -0.01 0.00 0.21 0.00 0.00 66.02 63.50 2kpn s SER 26 CO 0.27 0.03 -0.21 0.12 0.41 0.00 0.00 173.24 173.86 2kpn s PHE 27 N -1.52 2.60 -0.43 2.43 5.36 -1.26 -5.10 117.98 120.05 2kpn s PHE 27 Ca 0.43 -0.78 0.01 0.00 -0.96 0.00 0.00 56.93 55.63 2kpn s PHE 27 Cb -0.17 -1.70 0.12 0.00 -0.34 0.00 0.00 43.02 40.92 2kpn s PHE 27 CO 0.21 -0.26 0.19 0.08 -1.46 0.00 0.00 175.22 173.98 2kpn s VAL 28 N 0.11 2.84 0.16 3.12 1.01 -1.26 -4.98 120.40 121.39 2kpn s VAL 28 Ca -0.10 -2.51 0.05 0.00 0.00 0.00 0.00 61.98 59.41 2kpn s VAL 28 Cb -0.16 -2.98 -0.17 0.00 0.00 0.00 0.00 36.38 33.07 2kpn s VAL 28 CO 0.06 -0.70 1.35 1.55 0.00 0.00 0.00 175.10 177.36 2kpn h PRO 29 N 7.47 0.11 0.00 2.72 0.13 -2.00 -3.30 132.00 137.14 2kpn h PRO 29 Ca -0.07 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2kpn h PRO 29 Cb 1.00 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2kpn h PRO 29 CO 0.63 0.95 0.00 -1.33 -0.23 0.00 0.00 178.00 178.02 2kpn n MET 30 N -3.56 0.11 -0.02 0.86 2.81 -1.26 -2.81 117.12 113.24 2kpn n MET 30 Ca -0.02 0.14 -0.04 0.00 -1.81 0.00 0.00 57.70 55.96 2kpn n MET 30 Cb 0.85 -1.64 -0.13 0.00 -0.71 0.00 0.00 33.22 31.58 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 1.80 1.08 3.04 0.00 -1.24 -4.26 120.51 119.29 2kpn n ALA 31 Ca 0.06 -0.83 0.12 0.00 0.00 0.00 0.00 53.44 52.79 2kpn n ALA 31 Cb 0.35 -0.68 0.25 0.00 0.00 0.00 0.00 19.45 19.37 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 0.31 -4.59 0.00 -0.58 -1.18 -4.84 120.64 106.94 2kpn n GLU 32 Ca -0.18 -0.20 -0.33 0.00 -0.42 0.00 0.00 57.16 56.03 2kpn n GLU 32 Cb 0.96 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 30.19 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 -2.82 3.02 0.18 2.62 1.01 -1.13 -4.49 120.40 118.81 2kpn s VAL 33 Ca 0.15 -0.66 0.09 0.00 0.00 0.00 0.00 61.98 61.57 2kpn s VAL 33 Cb 0.18 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 2kpn s VAL 33 CO 0.65 0.51 -0.19 -0.76 0.00 0.00 0.00 175.10 175.31 2kpn s LEU 34 N 0.60 2.46 -0.05 3.92 2.01 -0.65 -4.89 118.68 122.08 2kpn s LEU 34 Ca -0.07 -0.89 -0.02 0.00 0.01 0.00 0.00 54.13 53.15 2kpn s LEU 34 Cb -0.15 -0.91 0.04 0.00 0.01 0.00 0.00 46.19 45.17 2kpn s LEU 34 CO 0.03 -0.01 0.10 0.00 1.01 0.00 0.00 176.35 177.48 2kpn s ALA 35 N -2.09 0.02 -0.12 4.21 0.00 -1.26 0.21 121.76 122.74 2kpn s ALA 35 Ca 0.19 0.39 -0.00 0.00 0.00 0.00 0.00 51.96 52.53 2kpn s ALA 35 Cb -0.06 -0.60 0.02 0.00 0.00 0.00 0.00 23.12 22.49 2kpn s ALA 35 CO 0.08 -0.41 -0.09 0.42 0.00 0.00 0.00 175.76 175.76 2kpn s ILE 36 N 1.91 1.12 0.15 0.00 -1.09 -0.46 -0.25 121.20 122.58 2kpn s ILE 36 Ca 0.00 -0.35 -0.05 0.00 -2.23 0.00 0.00 60.65 58.02 2kpn s ILE 36 Cb -0.12 -1.11 -0.06 0.00 -1.58 0.00 0.00 42.46 39.59 2kpn s ILE 36 CO -0.04 0.38 0.39 -0.62 -1.23 0.00 0.00 174.94 173.82 2kpn s ASP 37 N 1.62 6.50 0.12 3.58 2.15 0.92 -0.13 116.67 131.43 2kpn s ASP 37 Ca 0.04 0.62 -0.02 0.00 0.43 0.00 0.00 52.55 53.62 2kpn s ASP 37 Cb -0.13 -2.10 -0.14 0.00 -0.30 0.00 0.00 42.92 40.25 2kpn s ASP 37 CO -0.08 0.04 1.27 0.11 -0.17 0.00 0.00 175.17 176.34 2kpn h LYS 38 N 2.80 0.30 0.00 4.34 1.57 -1.84 -2.46 116.57 121.28 2kpn h LYS 38 Ca -0.46 -0.38 -0.06 0.00 -1.87 0.00 0.00 60.65 57.88 2kpn h LYS 38 Cb 1.17 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 2kpn h LYS 38 CO 0.72 1.10 -0.43 0.93 -0.57 0.00 0.00 179.45 181.20 2kpn h GLU 39 N 0.14 0.00 0.01 3.15 3.07 -1.96 -3.42 114.58 115.57 2kpn h GLU 39 Ca -0.09 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.77 2kpn h GLU 39 Cb 1.69 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.60 2kpn h GLU 39 CO 0.17 0.50 -0.00 0.22 -1.40 0.00 0.00 179.01 178.50 2kpn h ASP 40 N -1.00 -0.01 0.00 1.42 1.82 -2.01 -3.51 116.42 113.14 2kpn h ASP 40 Ca -0.09 -0.76 0.00 0.00 -0.39 0.00 0.00 57.03 55.80 2kpn h ASP 40 Cb 0.70 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.71 2kpn h ASP 40 CO -0.05 0.77 0.00 0.61 -1.61 0.00 0.00 179.24 178.96 2kpn n GLY 41 N 1.06 0.10 3.67 -0.78 0.00 -0.93 -5.01 105.19 103.31 2kpn n GLY 41 Ca -0.09 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 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 6.70 -0.13 1.61 -1.08 -1.26 -0.06 116.67 118.46 2kpn s ASP 42 Ca 0.00 2.25 0.18 0.00 -0.52 0.00 0.00 52.55 54.46 2kpn s ASP 42 Cb 0.00 -2.55 0.32 0.00 -1.46 0.00 0.00 42.92 39.23 2kpn s ASP 42 CO 0.00 -0.86 1.19 0.18 0.52 0.00 0.00 175.17 176.20 2kpn n LEU 43 N 6.29 2.58 0.12 -1.34 4.77 0.66 -4.79 117.00 125.29 2kpn n LEU 43 Ca 0.16 -3.02 0.07 0.00 -0.03 0.00 0.00 56.01 53.19 2kpn n LEU 43 Cb 0.42 -0.43 0.54 0.00 -2.33 0.00 0.00 43.42 41.63 2kpn n LEU 43 CO 0.61 0.69 1.12 0.74 -1.33 0.00 0.00 177.39 179.23 2kpn h THR 44 N 0.31 1.03 0.00 -5.08 2.02 -1.82 -0.01 112.91 109.35 2kpn h THR 44 Ca 0.00 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.09 2kpn h THR 44 Cb 1.05 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 2kpn h THR 44 CO 0.04 0.05 0.00 -1.20 0.37 0.00 0.00 175.52 174.77 2kpn n SER 45 N -4.50 0.54 -0.45 4.18 7.64 -1.26 -2.38 113.62 117.38 2kpn n SER 45 Ca 0.01 0.61 0.13 0.00 1.01 0.00 0.00 58.87 60.63 2kpn n SER 45 Cb 0.12 -0.73 0.33 0.00 -1.01 0.00 0.00 64.21 62.91 2kpn n SER 45 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2kpn n LYS 46 N -2.07 1.35 -2.09 1.43 5.02 -0.02 -4.92 118.16 116.87 2kpn n LYS 46 Ca 0.03 -0.91 -0.42 0.00 -2.02 0.00 0.00 58.31 54.99 2kpn n LYS 46 Cb 0.26 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 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 -2.27 3.72 -0.15 -0.18 1.01 -1.00 -4.62 121.20 117.70 2kpn s ILE 47 Ca 0.28 0.86 -0.20 0.00 0.00 0.00 0.00 60.65 61.59 2kpn s ILE 47 Cb 0.20 -3.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.06 2kpn s ILE 47 CO 0.44 -0.10 0.59 -0.75 0.00 0.00 0.00 174.94 175.12 2kpn s LYS 48 N 4.01 4.29 -0.16 2.79 2.47 0.40 -4.91 119.74 128.63 2kpn s LYS 48 Ca 0.70 0.59 -0.14 0.00 -1.56 0.00 0.00 55.97 55.56 2kpn s LYS 48 Cb -0.30 -3.51 -0.05 0.00 -1.46 0.00 0.00 37.83 32.51 2kpn s LYS 48 CO 0.27 -0.06 0.30 0.08 0.16 0.00 0.00 175.35 176.10 2kpn s VAL 49 N 1.30 5.30 0.06 4.02 1.01 -1.26 -2.02 120.40 128.81 2kpn s VAL 49 Ca 0.29 0.57 0.08 0.00 0.00 0.00 0.00 61.98 62.92 2kpn s VAL 49 Cb -0.16 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 2kpn s VAL 49 CO 0.12 0.39 -0.22 -0.62 0.00 0.00 0.00 175.10 174.76 2kpn s ASP 50 N 0.48 2.70 0.00 3.32 -1.08 0.78 -4.99 116.67 117.88 2kpn s ASP 50 Ca 0.17 -0.57 0.00 0.00 -0.52 0.00 0.00 52.55 51.63 2kpn s ASP 50 Cb -0.13 -0.22 0.00 0.00 -1.46 0.00 0.00 42.92 41.11 2kpn s ASP 50 CO 0.04 0.17 0.00 0.61 0.52 0.00 0.00 175.17 176.51 2kpn n GLY 51 N 1.68 0.38 3.63 2.66 0.00 -1.26 -0.77 105.19 111.50 2kpn n GLY 51 Ca -0.17 -2.16 -0.10 0.00 0.00 0.00 0.00 46.02 43.59 2kpn n GLY 51 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kpn s GLU 52 N 0.00 0.57 -0.22 1.61 -1.05 -1.26 -5.06 118.70 113.29 2kpn s GLU 52 Ca 0.00 0.58 0.00 0.00 -0.15 0.00 0.00 54.97 55.41 2kpn s GLU 52 Cb 0.00 0.28 0.06 0.00 -0.44 0.00 0.00 34.13 34.02 2kpn s GLU 52 CO 0.00 -0.09 -0.05 0.08 0.95 0.00 0.00 175.26 176.16 2kpn s VAL 53 N 0.05 1.36 -0.07 1.83 1.01 -1.26 -4.73 120.40 118.59 2kpn s VAL 53 Ca 0.02 -1.06 -0.14 0.00 0.00 0.00 0.00 61.98 60.80 2kpn s VAL 53 Cb -0.04 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 2kpn s VAL 53 CO -0.04 -0.07 0.37 -0.62 0.00 0.00 0.00 175.10 174.74 2kpn s ASP 54 N 1.48 6.66 0.00 3.32 -1.08 -1.26 -4.98 116.67 120.81 2kpn s ASP 54 Ca -0.04 0.79 0.17 0.00 -0.52 0.00 0.00 52.55 52.94 2kpn s ASP 54 Cb -0.18 -2.23 0.14 0.00 -1.46 0.00 0.00 42.92 39.19 2kpn s ASP 54 CO -0.07 0.22 1.04 0.35 0.52 0.00 0.00 175.17 177.23 2kpn n THR 55 N 2.60 0.00 -0.01 1.71 -2.24 -1.26 -4.42 114.28 110.66 2kpn n THR 55 Ca -0.13 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 2kpn n THR 55 Cb 0.52 1.35 -0.03 0.00 -2.10 0.00 0.00 70.33 70.07 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 0.96 0.11 -4.00 4.28 -2.24 -1.26 -1.17 114.28 110.97 2kpn n THR 56 Ca 0.10 -0.12 -0.35 0.00 -2.27 0.00 0.00 64.05 61.41 2kpn n THR 56 Cb 0.43 -0.15 -0.14 0.00 -2.10 0.00 0.00 70.33 68.37 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 -2.20 3.40 0.40 -0.78 2.20 -1.26 -4.92 119.74 116.56 2kpn s LYS 57 Ca -0.02 -0.62 -0.25 0.00 -0.36 0.00 0.00 55.97 54.72 2kpn s LYS 57 Cb 0.02 -2.98 -0.08 0.00 -1.51 0.00 0.00 37.83 33.28 2kpn s LYS 57 CO 0.16 -0.14 1.18 0.00 -0.36 0.00 0.00 175.35 176.19 2kpn s ALA 58 N 1.33 3.17 0.00 3.13 0.00 -1.26 -4.73 121.76 123.40 2kpn s ALA 58 Ca 0.04 0.99 0.00 0.00 0.00 0.00 0.00 51.96 52.99 2kpn s ALA 58 Cb -0.14 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2kpn s ALA 58 CO -0.02 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.60 2kpn n GLY 59 N 0.64 3.14 3.63 0.00 0.00 -0.00 -4.96 105.19 107.64 2kpn n GLY 59 Ca 0.04 -1.04 -0.38 0.00 0.00 0.00 0.00 46.02 44.64 2kpn n GLY 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kpn s THR 60 N -2.00 5.29 -0.04 2.61 2.01 -1.26 -0.73 115.64 121.51 2kpn s THR 60 Ca 0.00 0.33 0.07 0.00 0.31 0.00 0.00 61.69 62.40 2kpn s THR 60 Cb 0.00 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 68.91 2kpn s THR 60 CO 0.00 0.27 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.64 2kpn s TYR 61 N 1.50 2.42 -0.14 4.92 2.02 0.97 -4.98 117.35 124.07 2kpn s TYR 61 Ca 0.10 -0.58 -0.15 0.00 -0.37 0.00 0.00 57.07 56.08 2kpn s TYR 61 Cb -0.15 -1.57 -0.05 0.00 -0.40 0.00 0.00 41.96 39.80 2kpn s TYR 61 CO 0.08 -0.12 0.34 0.08 -1.57 0.00 0.00 175.55 174.35 2kpn s VAL 62 N -0.36 5.26 -0.13 0.71 1.01 -1.26 -1.37 120.40 124.26 2kpn s VAL 62 Ca 0.03 0.65 -0.03 0.00 0.00 0.00 0.00 61.98 62.62 2kpn s VAL 62 Cb -0.12 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 2kpn s VAL 62 CO 0.02 0.40 -0.03 -0.76 0.00 0.00 0.00 175.10 174.73 2kpn s LEU 63 N 0.30 3.34 -0.11 3.92 1.43 0.39 -4.33 118.68 123.62 2kpn s LEU 63 Ca 0.19 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.27 2kpn s LEU 63 Cb -0.14 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 2kpn s LEU 63 CO 0.06 0.24 -0.20 -0.89 0.23 0.00 0.00 176.35 175.80 2kpn s THR 64 N -0.09 2.47 -0.09 5.49 2.01 0.05 -0.46 115.64 125.03 2kpn s THR 64 Ca 0.02 -0.88 0.04 0.00 0.31 0.00 0.00 61.69 61.19 2kpn s THR 64 Cb -0.13 -1.98 -0.01 0.00 0.01 0.00 0.00 72.50 70.39 2kpn s THR 64 CO 0.02 0.55 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.96 2kpn s TYR 65 N 0.25 2.54 -0.01 4.92 2.02 0.43 -0.16 117.35 127.35 2kpn s TYR 65 Ca -0.13 -0.86 0.05 0.00 -0.37 0.00 0.00 57.07 55.75 2kpn s TYR 65 Cb -0.17 -1.68 -0.01 0.00 -0.40 0.00 0.00 41.96 39.70 2kpn s TYR 65 CO 0.07 -0.31 -0.15 0.99 -1.57 0.00 0.00 175.55 174.58 2kpn s THR 66 N 0.12 1.19 0.01 -0.71 2.01 -0.85 -1.01 115.64 116.40 2kpn s THR 66 Ca -0.12 -0.64 -0.02 0.00 0.31 0.00 0.00 61.69 61.23 2kpn s THR 66 Cb -0.16 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.34 2kpn s THR 66 CO 0.06 0.34 0.02 0.54 -0.69 0.00 0.00 174.62 174.90 2kpn s VAL 67 N -0.30 0.07 0.02 3.82 0.11 -0.61 -0.45 120.40 123.05 2kpn s VAL 67 Ca 0.05 -0.61 0.04 0.00 -2.93 0.00 0.00 61.98 58.52 2kpn s VAL 67 Cb -0.06 -0.24 -0.03 0.00 -1.53 0.00 0.00 36.38 34.51 2kpn s VAL 67 CO -0.00 -0.34 -0.07 -0.89 -3.33 0.00 0.00 175.10 170.47 2kpn s THR 68 N -1.03 3.64 0.89 5.04 2.01 -1.26 -1.66 115.64 123.28 2kpn s THR 68 Ca -0.11 -0.82 -0.12 0.00 0.31 0.00 0.00 61.69 60.94 2kpn s THR 68 Cb -0.07 -2.60 0.13 0.00 0.01 0.00 0.00 72.50 69.97 2kpn s THR 68 CO -0.00 0.36 1.12 -0.62 -0.69 0.00 0.00 174.62 174.79 2kpn s ASP 69 N -1.52 3.63 0.33 3.53 -1.08 0.13 -4.92 116.67 116.77 2kpn s ASP 69 Ca 0.18 1.10 0.10 0.00 -0.52 0.00 0.00 52.55 53.41 2kpn s ASP 69 Cb -0.11 -1.73 0.58 0.00 -1.46 0.00 0.00 42.92 40.20 2kpn s ASP 69 CO 0.09 -2.49 1.75 -1.28 0.52 0.00 0.00 175.17 173.76 2kpn h SER 70 N -1.45 0.09 0.17 -0.34 0.87 -1.95 -3.04 113.55 107.89 2kpn h SER 70 Ca -0.50 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 2kpn h SER 70 Cb 1.31 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 2kpn h SER 70 CO 0.60 0.50 -0.78 0.29 -0.53 0.00 0.00 176.83 176.91 2kpn n LYS 71 N -4.03 0.12 0.00 2.24 4.01 -1.26 -4.99 118.16 114.25 2kpn n LYS 71 Ca -0.02 -0.09 0.00 0.00 -0.51 0.00 0.00 58.31 57.69 2kpn n LYS 71 Cb 0.46 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.48 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 1.49 1.74 3.65 0.72 0.00 -1.15 -5.10 105.19 106.53 2kpn n GLY 72 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.27 1.61 3.76 -1.26 -4.76 115.29 115.69 2kpn s HIS 73 Ca 0.00 1.22 -0.09 0.00 -0.15 0.00 0.00 55.06 56.04 2kpn s HIS 73 Cb 0.00 -3.11 -0.04 0.00 1.11 0.00 0.00 32.58 30.55 2kpn s HIS 73 CO 0.00 -0.42 0.12 -2.00 -0.85 0.00 0.00 174.74 171.59 2kpn s GLU 74 N 2.94 3.76 0.24 1.40 2.12 -1.26 0.23 118.70 128.11 2kpn s GLU 74 Ca 0.37 -0.43 0.11 0.00 0.36 0.00 0.00 54.97 55.39 2kpn s GLU 74 Cb -0.15 -3.47 -0.05 0.00 0.26 0.00 0.00 34.13 30.72 2kpn s GLU 74 CO 0.07 -0.20 -0.21 0.14 -0.54 0.00 0.00 175.26 174.52 2kpn s VAL 75 N 1.67 2.35 -0.02 3.70 -7.23 -0.66 -5.00 120.40 115.21 2kpn s VAL 75 Ca 0.07 -2.22 -0.10 0.00 -1.81 0.00 0.00 61.98 57.91 2kpn s VAL 75 Cb -0.16 -2.19 0.01 0.00 0.56 0.00 0.00 36.38 34.61 2kpn s VAL 75 CO 0.07 -0.29 0.22 0.28 -0.31 0.00 0.00 175.10 175.07 2kpn s THR 76 N -2.18 0.06 0.09 5.32 -1.32 -1.26 -1.57 115.64 114.78 2kpn s THR 76 Ca 0.25 -0.47 -0.03 0.00 -1.21 0.00 0.00 61.69 60.23 2kpn s THR 76 Cb -0.06 -0.48 -0.03 0.00 -1.51 0.00 0.00 72.50 70.42 2kpn s THR 76 CO 0.12 -0.26 0.05 0.00 -2.21 0.00 0.00 174.62 172.33 2kpn s ALA 77 N -1.05 0.45 0.09 11.08 0.00 -0.18 -4.99 121.76 127.16 2kpn s ALA 77 Ca -0.11 -1.16 0.06 0.00 0.00 0.00 0.00 51.96 50.75 2kpn s ALA 77 Cb -0.06 0.52 -0.03 0.00 0.00 0.00 0.00 23.12 23.55 2kpn s ALA 77 CO 0.02 -0.45 -0.16 0.15 0.00 0.00 0.00 175.76 175.33 2kpn s LYS 78 N -3.95 0.94 -0.00 0.00 1.02 -1.26 -0.43 119.74 116.06 2kpn s LYS 78 Ca 0.12 -1.06 0.04 0.00 0.02 0.00 0.00 55.97 55.09 2kpn s LYS 78 Cb 0.07 -1.00 -0.01 0.00 -0.52 0.00 0.00 37.83 36.37 2kpn s LYS 78 CO -0.06 0.22 -0.12 -1.14 -0.92 0.00 0.00 175.35 173.33 2kpn s GLN 79 N -1.95 0.97 -0.36 1.68 0.74 0.40 -4.66 119.66 116.48 2kpn s GLN 79 Ca 0.02 -0.46 -0.06 0.00 0.05 0.00 0.00 55.36 54.91 2kpn s GLN 79 Cb -0.09 -0.94 0.06 0.00 1.10 0.00 0.00 33.01 33.14 2kpn s GLN 79 CO 0.03 0.25 0.14 0.99 -0.55 0.00 0.00 175.29 176.15 2kpn s THR 80 N -0.35 3.74 -0.17 -0.34 2.01 -0.26 -0.46 115.64 119.81 2kpn s THR 80 Ca 0.04 -1.32 -0.08 0.00 0.31 0.00 0.00 61.69 60.65 2kpn s THR 80 Cb -0.05 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 2kpn s THR 80 CO -0.00 -0.30 0.09 -0.69 -0.69 0.00 0.00 174.62 173.02 2kpn s VAL 81 N 1.36 5.01 -0.20 3.82 1.01 -0.47 -1.36 120.40 129.58 2kpn s VAL 81 Ca 0.00 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.03 2kpn s VAL 81 Cb -0.21 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 32.95 2kpn s VAL 81 CO 0.01 0.48 -0.17 -0.89 0.00 0.00 0.00 175.10 174.54 2kpn s THR 82 N 0.13 2.22 -0.11 3.92 2.01 0.60 -0.02 115.64 124.38 2kpn s THR 82 Ca 0.06 -1.00 -0.05 0.00 0.31 0.00 0.00 61.69 61.01 2kpn s THR 82 Cb -0.12 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.36 2kpn s THR 82 CO 0.00 0.44 0.08 -0.69 -0.69 0.00 0.00 174.62 173.76 2kpn s VAL 83 N 1.28 5.00 0.16 3.82 1.01 0.09 -0.64 120.40 131.11 2kpn s VAL 83 Ca 0.03 0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.09 2kpn s VAL 83 Cb -0.14 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 2kpn s VAL 83 CO -0.11 0.60 -0.13 -0.54 0.00 0.00 0.00 175.10 174.92 2kpn s LYS 84 N -0.85 1.14 0.50 2.72 1.02 0.13 -0.82 119.74 123.58 2kpn s LYS 84 Ca 0.13 -1.41 -0.18 0.00 0.02 0.00 0.00 55.97 54.54 2kpn s LYS 84 Cb -0.12 -0.91 -0.08 0.00 -0.52 0.00 0.00 37.83 36.19 2kpn s LYS 84 CO 0.03 0.16 0.98 0.08 -0.92 0.00 0.00 175.35 175.68 2kpn s VAL 85 N -2.70 4.41 -0.03 3.17 1.01 -1.26 -0.10 120.40 124.90 2kpn s VAL 85 Ca 0.15 1.26 0.12 0.00 0.00 0.00 0.00 61.98 63.51 2kpn s VAL 85 Cb -0.02 -3.65 -0.12 0.00 0.00 0.00 0.00 36.38 32.59 2kpn s VAL 85 CO 0.04 -0.56 1.14 0.08 0.00 0.00 0.00 175.10 175.79 2kpn h ARG 86 N 1.17 0.00 -2.68 2.72 0.11 -1.95 -3.44 114.38 110.31 2kpn h ARG 86 Ca -0.47 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.50 2kpn h ARG 86 Cb 1.19 0.00 -0.21 0.00 1.11 0.00 0.00 29.97 32.06 2kpn h ARG 86 CO 0.61 0.64 -0.14 -1.83 0.10 0.00 0.00 179.97 179.35 2kpn s GLU 87 N -2.80 0.71 -0.38 0.08 -1.05 -1.26 -5.10 118.70 108.89 2kpn s GLU 87 Ca 0.00 0.17 -0.20 0.00 -0.15 0.00 0.00 54.97 54.79 2kpn s GLU 87 Cb 0.09 0.33 0.01 0.00 -0.44 0.00 0.00 34.13 34.12 2kpn s GLU 87 CO 0.80 -0.18 0.64 -1.21 0.95 0.00 0.00 175.26 176.26 2kpn s GLU 88 N -0.79 3.55 -0.22 -4.83 8.01 -1.26 -5.05 118.70 118.11 2kpn s GLU 88 Ca -0.09 -0.09 -0.19 0.00 0.01 0.00 0.00 54.97 54.62 2kpn s GLU 88 Cb -0.03 -3.86 -0.03 0.00 -4.31 0.00 0.00 34.13 25.90 2kpn s GLU 88 CO 0.04 -0.83 0.54 0.08 0.01 0.00 0.00 175.26 175.11 2kpn s VAL 89 N 2.75 5.07 -2.17 2.63 1.01 -1.26 -4.96 120.40 123.48 2kpn s VAL 89 Ca 0.24 0.97 0.18 0.00 0.00 0.00 0.00 61.98 63.37 2kpn s VAL 89 Cb -0.14 -3.86 0.43 0.00 0.00 0.00 0.00 36.38 32.81 2kpn s VAL 89 CO 0.16 0.13 1.42 2.29 0.00 0.00 0.00 175.10 179.10 2kpn n LYS 90 N 5.14 2.06 -3.67 2.72 2.85 -1.26 -4.73 118.16 121.27 2kpn n LYS 90 Ca -0.04 -1.62 -0.38 0.00 -1.05 0.00 0.00 58.31 55.22 2kpn n LYS 90 Cb 0.50 -1.40 -0.10 0.00 -0.65 0.00 0.00 35.03 33.37 2kpn n LYS 90 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2kpn s ASN 91 N -1.26 5.47 0.57 -5.58 -0.87 -1.26 -5.09 114.94 106.91 2kpn s ASN 91 Ca 0.33 -1.93 -0.15 0.00 -1.57 0.00 0.00 52.86 49.54 2kpn s ASN 91 Cb 0.18 -1.92 -0.06 0.00 -0.02 0.00 0.00 41.25 39.44 2kpn s ASN 91 CO 0.25 -0.60 1.01 -0.62 -2.57 0.00 0.00 177.10 174.57 2kpn s ASP 92 N 2.20 6.28 0.09 -1.22 2.15 -1.26 -5.09 116.67 119.82 2kpn s ASP 92 Ca 0.07 1.59 0.04 0.00 0.43 0.00 0.00 52.55 54.68 2kpn s ASP 92 Cb -0.24 -2.50 -0.03 0.00 -0.30 0.00 0.00 42.92 39.84 2kpn s ASP 92 CO -0.02 -0.83 -0.11 -1.59 -0.17 0.00 0.00 175.17 172.45 2kpn s LYS 93 N -4.37 0.83 -0.68 4.34 -2.85 -1.26 -5.08 119.74 110.67 2kpn s LYS 93 Ca 0.59 -1.09 -0.28 0.00 -1.00 0.00 0.00 55.97 54.19 2kpn s LYS 93 Cb -0.12 -0.61 -0.13 0.00 -2.06 0.00 0.00 37.83 34.92 2kpn s LYS 93 CO 0.39 0.11 2.52 -2.30 0.10 0.00 0.00 175.35 176.16 2kpn n PRO 94 N 0.79 0.64 -2.84 1.78 -0.02 -1.26 -4.93 135.00 129.16 2kpn n PRO 94 Ca -0.18 0.01 -0.26 0.00 -2.02 0.00 0.00 63.50 61.05 2kpn n PRO 94 Cb 0.57 -2.65 -0.00 0.00 -0.02 0.00 0.00 33.50 31.39 2kpn n PRO 94 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2kpn s ILE 95 N 10.75 4.83 -0.14 4.25 -4.36 -1.26 -5.06 121.20 130.22 2kpn s ILE 95 Ca 1.13 -0.03 -0.26 0.00 -0.26 0.00 0.00 60.65 61.23 2kpn s ILE 95 Cb -0.63 -3.82 -0.02 0.00 1.25 0.00 0.00 42.46 39.25 2kpn s ILE 95 CO 0.36 -0.72 0.85 -0.22 0.24 0.00 0.00 174.94 175.45 2kpn s LEU 96 N -4.63 4.22 0.00 0.37 2.96 -1.26 -5.34 118.68 114.99 2kpn s LEU 96 Ca 0.46 1.26 0.00 0.00 -0.22 0.00 0.00 54.13 55.62 2kpn s LEU 96 Cb -0.10 -3.28 0.00 0.00 0.50 0.00 0.00 46.19 43.31 2kpn s LEU 96 CO 0.42 -0.36 0.00 1.21 -1.32 0.00 0.00 176.35 176.30