#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 -0.03 2.07 3.03 0.00 -1.26 -5.12 105.19 103.88 2kpn n GLY 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kpn n GLY 2 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kpn n ASN 3 N -1.67 -1.26 -0.49 1.61 0.23 -1.26 -5.18 115.26 107.24 2kpn n ASN 3 Ca 0.00 0.36 0.06 0.00 -0.53 0.00 0.00 54.58 54.47 2kpn n ASN 3 Cb 0.00 1.37 -0.02 0.00 -2.08 0.00 0.00 39.78 39.05 2kpn n ASN 3 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kpn n GLY 4 N -0.29 -1.89 1.58 4.83 0.00 -1.26 -5.03 105.19 103.14 2kpn n GLY 4 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2kpn n GLY 4 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kpn n GLU 5 N -2.69 0.00 -2.66 1.61 1.02 -1.26 -5.12 120.64 111.54 2kpn n GLU 5 Ca -0.01 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.12 2kpn n GLU 5 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.65 2kpn n GLU 5 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2kpn n THR 6 N -2.35-11.38 -3.25 2.62 -1.04 -1.26 -4.99 114.28 92.63 2kpn n THR 6 Ca 0.00 1.62 -0.40 0.00 -2.04 0.00 0.00 64.05 63.23 2kpn n THR 6 Cb 0.00 -6.83 -0.08 0.00 -1.82 0.00 0.00 70.33 61.60 2kpn n THR 6 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2kpn s SER 7 N -1.69 6.43 -0.20 8.00 0.01 -1.26 -5.04 113.70 119.95 2kpn s SER 7 Ca 0.04 0.52 -0.29 0.00 1.31 0.00 0.00 55.95 57.52 2kpn s SER 7 Cb -0.01 -2.27 -0.02 0.00 0.21 0.00 0.00 66.02 63.93 2kpn s SER 7 CO 0.74 -0.26 1.39 -0.62 0.41 0.00 0.00 173.24 174.89 2kpn s ASP 8 N 1.51 6.72 -0.31 2.44 2.15 -1.26 -4.98 116.67 122.94 2kpn s ASP 8 Ca 0.21 1.59 -0.28 0.00 0.43 0.00 0.00 52.55 54.50 2kpn s ASP 8 Cb -0.16 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 39.94 2kpn s ASP 8 CO 0.09 -0.97 1.00 -0.76 -0.17 0.00 0.00 175.17 174.36 2kpn s LEU 9 N 4.15 3.98 0.21 -1.34 1.43 -1.26 -5.03 118.68 120.82 2kpn s LEU 9 Ca 0.60 0.98 -0.30 0.00 -1.03 0.00 0.00 54.13 54.39 2kpn s LEU 9 Cb -0.22 -3.43 -0.08 0.00 0.03 0.00 0.00 46.19 42.49 2kpn s LEU 9 CO 0.22 -0.80 1.03 -1.83 0.23 0.00 0.00 176.35 175.19 2kpn s GLU 10 N 3.45 4.70 0.31 1.70 -1.05 -1.26 -4.78 118.70 121.78 2kpn s GLU 10 Ca 0.42 1.62 -0.29 0.00 -0.15 0.00 0.00 54.97 56.58 2kpn s GLU 10 Cb -0.13 -3.28 -0.10 0.00 -0.44 0.00 0.00 34.13 30.19 2kpn s GLU 10 CO 0.14 0.26 1.18 -1.25 0.95 0.00 0.00 175.26 176.53 2kpn s PRO 11 N -0.78 4.48 -0.54 -4.83 0.04 -1.26 -4.90 135.00 127.21 2kpn s PRO 11 Ca 0.45 1.94 -0.26 0.00 0.04 0.00 0.00 61.00 63.18 2kpn s PRO 11 Cb -0.28 -3.09 0.03 0.00 0.04 0.00 0.00 34.50 31.20 2kpn s PRO 11 CO 0.34 0.02 1.04 0.21 0.04 0.00 0.00 177.00 178.65 2kpn s LYS 12 N -1.66 3.45 -0.44 4.56 2.47 -0.05 -4.86 119.74 123.22 2kpn s LYS 12 Ca 0.47 0.04 -0.22 0.00 -1.56 0.00 0.00 55.97 54.70 2kpn s LYS 12 Cb -0.34 -4.01 0.02 0.00 -1.46 0.00 0.00 37.83 32.04 2kpn s LYS 12 CO 0.45 -1.50 0.72 -1.17 0.16 0.00 0.00 175.35 174.00 2kpn s LEU 13 N 4.29 4.37 -0.47 5.43 2.96 -1.26 -2.30 118.68 131.70 2kpn s LEU 13 Ca 0.37 -0.21 -0.24 0.00 -0.22 0.00 0.00 54.13 53.82 2kpn s LEU 13 Cb -0.10 -2.85 0.03 0.00 0.50 0.00 0.00 46.19 43.77 2kpn s LEU 13 CO 0.23 -0.85 0.88 -0.89 -1.32 0.00 0.00 176.35 174.41 2kpn s THR 14 N 3.06 4.52 -0.06 3.68 2.01 0.14 -4.99 115.64 123.99 2kpn s THR 14 Ca 0.26 0.57 -0.03 0.00 0.31 0.00 0.00 61.69 62.81 2kpn s THR 14 Cb -0.13 -4.41 0.04 0.00 0.01 0.00 0.00 72.50 68.00 2kpn s THR 14 CO 0.21 -0.84 0.11 -0.69 -0.69 0.00 0.00 174.62 172.72 2kpn s VAL 15 N 3.63 -0.18 0.50 3.82 1.01 -1.26 -3.26 120.40 124.66 2kpn s VAL 15 Ca 0.34 0.38 -0.20 0.00 0.00 0.00 0.00 61.98 62.49 2kpn s VAL 15 Cb -0.11 -0.22 -0.08 0.00 0.00 0.00 0.00 36.38 35.97 2kpn s VAL 15 CO 0.24 0.16 1.06 -2.16 0.00 0.00 0.00 175.10 174.40 2kpn s PRO 16 N 2.14 3.69 0.24 2.72 0.04 -1.26 -4.92 135.00 137.66 2kpn s PRO 16 Ca 0.03 1.41 -0.04 0.00 0.04 0.00 0.00 61.00 62.44 2kpn s PRO 16 Cb -0.12 -2.07 0.27 0.00 0.04 0.00 0.00 34.50 32.62 2kpn s PRO 16 CO -0.04 -0.53 1.77 -0.24 0.04 0.00 0.00 177.00 178.00 2kpn h VAL 17 N 1.46 1.25 -3.02 -0.36 3.04 -1.96 -3.38 116.25 113.28 2kpn h VAL 17 Ca -0.50 -0.92 -0.05 0.00 -1.01 0.00 0.00 66.70 64.23 2kpn h VAL 17 Cb 1.23 0.65 -0.14 0.00 -2.01 0.00 0.00 31.29 31.02 2kpn h VAL 17 CO 0.58 0.34 0.05 -0.83 -1.01 0.00 0.00 177.57 176.71 2kpn s GLY 18 N -3.58 -0.43 -0.17 3.17 0.00 -1.26 -0.98 107.32 104.07 2kpn s GLY 18 Ca -0.11 0.37 -0.12 0.00 0.00 0.00 0.00 44.72 44.87 2kpn s GLY 18 CO 0.82 0.08 0.42 0.00 0.00 0.00 0.00 173.10 174.43 2kpn s ALA 19 N -3.19 -1.07 -0.17 3.20 0.00 0.41 -4.89 121.76 116.04 2kpn s ALA 19 Ca -0.01 1.38 -0.01 0.00 0.00 0.00 0.00 51.96 53.32 2kpn s ALA 19 Cb 0.00 -0.82 -0.00 0.00 0.00 0.00 0.00 23.12 22.29 2kpn s ALA 19 CO -0.08 -0.24 -0.12 0.99 0.00 0.00 0.00 175.76 176.31 2kpn s THR 20 N 0.81 2.84 0.42 0.00 2.01 -1.26 -0.20 115.64 120.26 2kpn s THR 20 Ca -0.05 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.29 2kpn s THR 20 Cb -0.06 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 2kpn s THR 20 CO -0.06 0.49 0.09 0.27 -0.69 0.00 0.00 174.62 174.72 2kpn s ILE 21 N 1.02 0.85 0.24 1.82 -4.36 -0.08 -4.97 121.20 115.72 2kpn s ILE 21 Ca -0.01 -2.00 0.11 0.00 -0.26 0.00 0.00 60.65 58.49 2kpn s ILE 21 Cb -0.15 -2.40 -0.05 0.00 1.25 0.00 0.00 42.46 41.12 2kpn s ILE 21 CO -0.02 0.00 -0.14 -1.00 0.24 0.00 0.00 174.94 174.02 2kpn s HIS 22 N -3.14 2.47 -0.24 1.37 3.76 -1.26 -0.85 115.29 117.40 2kpn s HIS 22 Ca 0.22 -0.28 -0.33 0.00 -0.15 0.00 0.00 55.06 54.52 2kpn s HIS 22 Cb 0.04 -1.13 -0.10 0.00 1.11 0.00 0.00 32.58 32.50 2kpn s HIS 22 CO 0.12 0.61 2.11 0.28 -0.85 0.00 0.00 174.74 177.01 2kpn n VAL 23 N -0.38 0.35 0.00 -0.90 0.31 0.27 -1.50 118.33 116.48 2kpn n VAL 23 Ca -0.08 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 2kpn n VAL 23 Cb 0.58 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 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 5.69 2.31 3.65 2.92 0.00 0.26 -4.75 105.19 115.27 2kpn n GLY 24 Ca 0.33 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.10 -4.35 1.61 8.00 -0.56 -5.09 116.55 115.06 2kpn n ASP 25 Ca 0.00 -1.31 -0.26 0.00 0.71 0.00 0.00 54.79 53.93 2kpn n ASP 25 Cb 0.00 -1.01 -0.12 0.00 -0.02 0.00 0.00 41.12 39.97 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 -5.08 2.94 -0.29 -2.24 0.01 -1.26 -4.97 113.70 102.81 2kpn s SER 26 Ca 0.73 -0.76 -0.06 0.00 1.31 0.00 0.00 55.95 57.17 2kpn s SER 26 Cb -0.05 -0.18 0.15 0.00 0.21 0.00 0.00 66.02 66.15 2kpn s SER 26 CO 0.54 0.10 0.60 0.12 0.41 0.00 0.00 173.24 175.00 2kpn s PHE 27 N -1.31 -1.37 -0.44 2.43 5.36 -1.26 -5.09 117.98 116.30 2kpn s PHE 27 Ca 0.12 1.98 -0.02 0.00 -0.96 0.00 0.00 56.93 58.05 2kpn s PHE 27 Cb -0.09 0.64 0.12 0.00 -0.34 0.00 0.00 43.02 43.35 2kpn s PHE 27 CO 0.06 -0.73 0.23 0.08 -1.46 0.00 0.00 175.22 173.40 2kpn s VAL 28 N 2.84 3.28 0.25 3.12 1.01 -1.26 -4.99 120.40 124.66 2kpn s VAL 28 Ca 0.05 -2.24 -0.03 0.00 0.00 0.00 0.00 61.98 59.76 2kpn s VAL 28 Cb -0.13 -3.24 0.23 0.00 0.00 0.00 0.00 36.38 33.24 2kpn s VAL 28 CO -0.19 -0.72 1.74 -0.65 0.00 0.00 0.00 175.10 175.28 2kpn h PRO 29 N 7.83 0.48 0.00 2.72 0.11 -1.98 -0.66 132.00 140.51 2kpn h PRO 29 Ca -0.11 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.98 2kpn h PRO 29 Cb 1.03 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2kpn h PRO 29 CO 0.69 0.32 0.00 -1.33 -0.21 0.00 0.00 178.00 177.47 2kpn n MET 30 N -4.96 0.79 0.00 1.05 2.81 -1.26 -0.62 117.12 114.93 2kpn n MET 30 Ca 0.16 0.01 0.04 0.00 -1.81 0.00 0.00 57.70 56.09 2kpn n MET 30 Cb 0.43 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.41 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 -1.07 2.97 0.00 3.04 0.00 -0.31 -4.69 120.51 120.45 2kpn n ALA 31 Ca 0.20 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2kpn n ALA 31 Cb 0.13 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.28 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 -0.91 1.25 -3.68 0.00 1.02 -0.83 -5.04 120.64 112.45 2kpn n GLU 32 Ca 0.02 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.84 2kpn n GLU 32 Cb 0.14 -0.97 -0.05 0.00 -0.02 0.00 0.00 31.44 30.55 2kpn n GLU 32 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2kpn s VAL 33 N -1.88 5.19 0.02 2.62 1.01 0.21 -5.02 120.40 122.54 2kpn s VAL 33 Ca 0.00 0.11 -0.07 0.00 0.00 0.00 0.00 61.98 62.02 2kpn s VAL 33 Cb 0.00 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.76 2kpn s VAL 33 CO 0.00 0.14 0.14 -0.22 0.00 0.00 0.00 175.10 175.16 2kpn s LEU 34 N -2.37 1.59 -0.17 3.92 0.20 -1.20 -4.81 118.68 115.84 2kpn s LEU 34 Ca 0.37 -0.32 -0.07 0.00 0.69 0.00 0.00 54.13 54.80 2kpn s LEU 34 Cb -0.13 0.71 0.07 0.00 -0.43 0.00 0.00 46.19 46.41 2kpn s LEU 34 CO 0.22 -0.44 0.37 0.00 -0.29 0.00 0.00 176.35 176.21 2kpn s ALA 35 N -1.92 -0.94 -0.05 5.97 0.00 -1.26 0.27 121.76 123.83 2kpn s ALA 35 Ca -0.11 1.34 0.05 0.00 0.00 0.00 0.00 51.96 53.24 2kpn s ALA 35 Cb -0.05 -1.11 -0.00 0.00 0.00 0.00 0.00 23.12 21.96 2kpn s ALA 35 CO -0.01 -0.57 -0.20 0.42 0.00 0.00 0.00 175.76 175.39 2kpn s ILE 36 N 2.19 1.68 -0.13 0.00 -1.09 -0.97 -0.48 121.20 122.40 2kpn s ILE 36 Ca -0.03 -0.85 0.02 0.00 -2.23 0.00 0.00 60.65 57.56 2kpn s ILE 36 Cb -0.11 -1.44 -0.00 0.00 -1.58 0.00 0.00 42.46 39.33 2kpn s ILE 36 CO -0.11 0.47 -0.19 -0.62 -1.23 0.00 0.00 174.94 173.27 2kpn s ASP 37 N 0.02 3.49 0.47 3.58 -1.08 0.05 -0.87 116.67 122.34 2kpn s ASP 37 Ca -0.05 -0.48 0.22 0.00 -0.52 0.00 0.00 52.55 51.72 2kpn s ASP 37 Cb -0.13 -1.51 1.18 0.00 -1.46 0.00 0.00 42.92 41.01 2kpn s ASP 37 CO 0.03 0.13 1.99 0.11 0.52 0.00 0.00 175.17 177.96 2kpn h LYS 38 N 6.92 0.00 0.21 4.34 1.57 -1.86 0.46 116.57 128.21 2kpn h LYS 38 Ca -0.26 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.20 2kpn h LYS 38 Cb 1.21 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.55 2kpn h LYS 38 CO 0.53 0.19 -1.55 1.05 -0.57 0.00 0.00 179.45 179.10 2kpn h GLU 39 N 0.00 0.44 0.00 3.15 4.11 -1.96 -3.41 114.58 116.92 2kpn h GLU 39 Ca -0.00 -0.76 -0.37 0.00 0.07 0.00 0.00 59.36 58.30 2kpn h GLU 39 Cb 0.43 0.28 -0.05 0.00 0.50 0.00 0.00 28.75 29.90 2kpn h GLU 39 CO 0.02 1.36 -2.02 -3.47 0.07 0.00 0.00 179.01 174.98 2kpn n ASP 40 N -3.71 1.93 0.00 3.06 2.03 -1.14 -5.12 116.55 113.59 2kpn n ASP 40 Ca -0.21 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.45 2kpn n ASP 40 Cb 1.06 -0.86 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 1.38 0.30 3.60 0.27 0.00 0.16 -5.02 105.19 105.88 2kpn n GLY 41 Ca -0.45 -1.33 -0.43 0.00 0.00 0.00 0.00 46.02 43.81 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 6.31 0.00 1.61 2.15 -1.26 -0.77 116.67 120.71 2kpn s ASP 42 Ca 0.00 0.71 0.23 0.00 0.43 0.00 0.00 52.55 53.92 2kpn s ASP 42 Cb 0.00 -2.54 0.42 0.00 -0.30 0.00 0.00 42.92 40.50 2kpn s ASP 42 CO 0.00 -1.48 1.40 0.18 -0.17 0.00 0.00 175.17 175.10 2kpn n LEU 43 N 8.92 3.34 -0.36 -1.34 4.77 0.37 -4.23 117.00 128.47 2kpn n LEU 43 Ca 0.16 -1.40 0.06 0.00 -0.03 0.00 0.00 56.01 54.79 2kpn n LEU 43 Cb 0.48 -0.21 0.22 0.00 -2.33 0.00 0.00 43.42 41.58 2kpn n LEU 43 CO 0.71 0.70 1.24 0.74 -1.33 0.00 0.00 177.39 179.45 2kpn h THR 44 N 4.43 0.97 0.00 -5.08 2.02 -1.18 0.93 112.91 114.99 2kpn h THR 44 Ca 0.00 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.82 2kpn h THR 44 Cb 0.97 -0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 2kpn h THR 44 CO 0.00 0.19 0.00 -1.20 0.37 0.00 0.00 175.52 174.88 2kpn n SER 45 N -4.59 0.00 -0.17 4.18 7.64 -1.26 -2.05 113.62 117.37 2kpn n SER 45 Ca 0.18 0.31 0.08 0.00 1.01 0.00 0.00 58.87 60.45 2kpn n SER 45 Cb 0.30 -0.39 -0.06 0.00 -1.01 0.00 0.00 64.21 63.06 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 -1.39 1.47 -2.30 1.43 4.76 0.30 -5.00 118.16 117.44 2kpn n LYS 46 Ca 0.04 -0.37 -0.40 0.00 -2.87 0.00 0.00 58.31 54.70 2kpn n LYS 46 Cb 0.10 -1.31 -0.03 0.00 -1.84 0.00 0.00 35.03 31.95 2kpn n LYS 46 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2kpn s ILE 47 N -2.37 3.12 -0.12 -0.18 1.01 -0.87 -4.53 121.20 117.26 2kpn s ILE 47 Ca 0.10 1.09 -0.01 0.00 0.00 0.00 0.00 60.65 61.82 2kpn s ILE 47 Cb 0.13 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 2kpn s ILE 47 CO 0.59 0.23 -0.07 -0.75 0.00 0.00 0.00 174.94 174.95 2kpn s LYS 48 N -1.75 3.30 -0.46 2.79 2.20 0.04 -4.96 119.74 120.89 2kpn s LYS 48 Ca 0.49 -0.56 -0.17 0.00 -0.36 0.00 0.00 55.97 55.36 2kpn s LYS 48 Cb -0.35 -2.75 0.05 0.00 -1.51 0.00 0.00 37.83 33.27 2kpn s LYS 48 CO 0.45 0.38 0.49 0.08 -0.36 0.00 0.00 175.35 176.40 2kpn s VAL 49 N -0.05 5.05 -0.22 4.02 1.01 -1.26 -2.24 120.40 126.71 2kpn s VAL 49 Ca 0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.30 2kpn s VAL 49 Cb -0.13 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 2kpn s VAL 49 CO 0.03 -0.60 0.14 -0.62 0.00 0.00 0.00 175.10 174.06 2kpn s ASP 50 N 2.31 6.15 0.00 3.32 -1.08 0.43 -4.96 116.67 122.83 2kpn s ASP 50 Ca 0.11 0.17 0.00 0.00 -0.52 0.00 0.00 52.55 52.31 2kpn s ASP 50 Cb -0.20 -2.09 0.00 0.00 -1.46 0.00 0.00 42.92 39.17 2kpn s ASP 50 CO 0.11 0.12 0.00 0.61 0.52 0.00 0.00 175.17 176.54 2kpn n GLY 51 N 3.90 0.67 3.46 2.66 0.00 -1.26 -0.34 105.19 114.28 2kpn n GLY 51 Ca -0.16 -2.26 -0.14 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.71 0.69 -0.22 1.61 2.12 -1.26 -5.02 118.70 115.90 2kpn s GLU 52 Ca 0.00 0.69 0.01 0.00 0.36 0.00 0.00 54.97 56.03 2kpn s GLU 52 Cb 0.00 0.33 0.05 0.00 0.26 0.00 0.00 34.13 34.78 2kpn s GLU 52 CO 0.00 -0.10 -0.07 0.08 -0.54 0.00 0.00 175.26 174.62 2kpn s VAL 53 N 0.09 1.61 0.21 3.70 1.01 -1.26 -4.62 120.40 121.14 2kpn s VAL 53 Ca -0.02 -1.18 -0.30 0.00 0.00 0.00 0.00 61.98 60.49 2kpn s VAL 53 Cb -0.04 -1.80 -0.09 0.00 0.00 0.00 0.00 36.38 34.45 2kpn s VAL 53 CO 0.02 -0.01 1.32 -1.81 0.00 0.00 0.00 175.10 174.62 2kpn s ASP 54 N 1.38 6.88 0.00 3.32 1.11 -1.26 -4.92 116.67 123.17 2kpn s ASP 54 Ca -0.05 2.44 0.08 0.00 0.18 0.00 0.00 52.55 55.20 2kpn s ASP 54 Cb -0.18 -2.61 0.05 0.00 1.07 0.00 0.00 42.92 41.25 2kpn s ASP 54 CO -0.07 -0.53 0.71 0.35 1.18 0.00 0.00 175.17 176.81 2kpn n THR 55 N 2.47 0.00 0.23 -1.27 -2.24 -1.26 -4.49 114.28 107.73 2kpn n THR 55 Ca 0.06 -0.49 0.11 0.00 -2.27 0.00 0.00 64.05 61.46 2kpn n THR 55 Cb 0.43 1.15 -0.12 0.00 -2.10 0.00 0.00 70.33 69.68 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 0.31 0.09 -3.97 4.28 -2.24 -1.26 -0.57 114.28 110.92 2kpn n THR 56 Ca 0.04 -0.40 -0.14 0.00 -2.27 0.00 0.00 64.05 61.29 2kpn n THR 56 Cb 0.19 0.14 -0.14 0.00 -2.10 0.00 0.00 70.33 68.41 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 -3.38 0.16 0.41 -0.78 2.20 -1.26 -4.94 119.74 112.14 2kpn s LYS 57 Ca -0.03 -0.06 -0.25 0.00 -0.36 0.00 0.00 55.97 55.27 2kpn s LYS 57 Cb 0.14 -0.17 -0.08 0.00 -1.51 0.00 0.00 37.83 36.21 2kpn s LYS 57 CO 0.88 0.03 1.17 0.00 -0.36 0.00 0.00 175.35 177.07 2kpn s ALA 58 N 0.02 3.13 0.00 3.13 0.00 -1.26 -4.79 121.76 121.99 2kpn s ALA 58 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 51.96 52.93 2kpn s ALA 58 Cb -0.02 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2kpn s ALA 58 CO -0.00 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.61 2kpn n GLY 59 N 0.60 3.05 3.63 0.00 0.00 0.04 -4.98 105.19 107.53 2kpn n GLY 59 Ca 0.05 -0.94 -0.38 0.00 0.00 0.00 0.00 46.02 44.75 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 0.11 2.61 2.01 -1.26 -0.51 115.64 121.85 2kpn s THR 60 Ca 0.00 0.47 0.09 0.00 0.31 0.00 0.00 61.69 62.56 2kpn s THR 60 Cb 0.00 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 2kpn s THR 60 CO 0.00 0.24 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.63 2kpn s TYR 61 N 1.60 1.92 -0.09 4.92 2.02 0.37 -4.97 117.35 123.12 2kpn s TYR 61 Ca 0.13 -0.41 0.02 0.00 -0.37 0.00 0.00 57.07 56.45 2kpn s TYR 61 Cb -0.15 -1.05 -0.02 0.00 -0.40 0.00 0.00 41.96 40.35 2kpn s TYR 61 CO 0.08 0.24 -0.16 0.08 -1.57 0.00 0.00 175.55 174.22 2kpn s VAL 62 N -1.17 2.81 -0.17 0.71 1.01 -1.26 -0.03 120.40 122.30 2kpn s VAL 62 Ca 0.09 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 2kpn s VAL 62 Cb -0.10 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 2kpn s VAL 62 CO 0.05 0.56 -0.07 -0.76 0.00 0.00 0.00 175.10 174.87 2kpn s LEU 63 N -0.07 2.91 -0.20 3.92 1.43 -0.05 -4.36 118.68 122.25 2kpn s LEU 63 Ca -0.04 -0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 2kpn s LEU 63 Cb -0.14 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 2kpn s LEU 63 CO 0.04 0.09 0.16 -0.89 0.23 0.00 0.00 176.35 175.98 2kpn s THR 64 N 0.80 5.39 -0.25 5.49 2.01 0.54 -0.57 115.64 129.05 2kpn s THR 64 Ca -0.03 0.23 -0.01 0.00 0.31 0.00 0.00 61.69 62.20 2kpn s THR 64 Cb -0.15 -3.50 0.03 0.00 0.01 0.00 0.00 72.50 68.90 2kpn s THR 64 CO 0.01 0.42 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.99 2kpn s TYR 65 N 0.50 3.10 -0.10 4.92 2.02 0.31 -0.43 117.35 127.67 2kpn s TYR 65 Ca 0.09 -1.66 0.03 0.00 -0.37 0.00 0.00 57.07 55.15 2kpn s TYR 65 Cb -0.12 -2.05 -0.01 0.00 -0.40 0.00 0.00 41.96 39.38 2kpn s TYR 65 CO -0.00 -0.76 -0.19 0.99 -1.57 0.00 0.00 175.55 174.02 2kpn s THR 66 N 1.30 2.53 -0.01 -0.71 2.01 -0.95 -1.35 115.64 118.45 2kpn s THR 66 Ca -0.01 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.13 2kpn s THR 66 Cb -0.17 -2.00 0.01 0.00 0.01 0.00 0.00 72.50 70.34 2kpn s THR 66 CO -0.04 0.55 -0.03 0.54 -0.69 0.00 0.00 174.62 174.95 2kpn s VAL 67 N 0.15 0.28 -0.12 3.82 0.11 -0.21 -0.78 120.40 123.64 2kpn s VAL 67 Ca -0.10 -0.10 -0.03 0.00 -2.93 0.00 0.00 61.98 58.81 2kpn s VAL 67 Cb -0.16 -0.27 -0.03 0.00 -1.53 0.00 0.00 36.38 34.39 2kpn s VAL 67 CO 0.06 0.10 -0.00 -0.89 -3.33 0.00 0.00 175.10 171.04 2kpn s THR 68 N 0.21 4.22 0.59 5.04 2.01 -1.26 -0.94 115.64 125.51 2kpn s THR 68 Ca -0.02 -0.26 -0.16 0.00 0.31 0.00 0.00 61.69 61.56 2kpn s THR 68 Cb -0.05 -2.82 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 2kpn s THR 68 CO -0.00 0.55 1.06 -0.62 -0.69 0.00 0.00 174.62 174.92 2kpn s ASP 69 N -0.30 5.76 0.56 3.53 -1.08 0.56 -4.94 116.67 120.76 2kpn s ASP 69 Ca 0.06 1.86 0.34 0.00 -0.52 0.00 0.00 52.55 54.29 2kpn s ASP 69 Cb -0.12 -2.54 1.64 0.00 -1.46 0.00 0.00 42.92 40.44 2kpn s ASP 69 CO 0.02 -1.18 2.11 0.28 0.52 0.00 0.00 175.17 176.91 2kpn h SER 70 N 0.53 0.00 -0.24 -0.34 0.02 -1.95 -2.46 113.55 109.10 2kpn h SER 70 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2kpn h SER 70 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2kpn h SER 70 CO 0.57 0.06 0.00 0.29 -1.14 0.00 0.00 176.83 176.61 2kpn n LYS 71 N -3.31 1.96 0.00 3.45 4.76 -1.26 -4.99 118.16 118.76 2kpn n LYS 71 Ca -0.01 -1.84 0.00 0.00 -2.87 0.00 0.00 58.31 53.59 2kpn n LYS 71 Cb 0.23 -1.34 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 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 0.92 0.97 3.55 0.72 0.00 -0.93 -5.06 105.19 105.35 2kpn n GLY 72 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 1.90 -0.46 1.61 3.76 -1.26 -4.71 115.29 114.12 2kpn s HIS 73 Ca 0.00 0.44 -0.16 0.00 -0.15 0.00 0.00 55.06 55.19 2kpn s HIS 73 Cb 0.00 -4.27 0.05 0.00 1.11 0.00 0.00 32.58 29.48 2kpn s HIS 73 CO 0.00 -2.16 0.42 -2.00 -0.85 0.00 0.00 174.74 170.15 2kpn s GLU 74 N 6.56 3.02 0.14 1.40 2.12 -1.26 -0.32 118.70 130.35 2kpn s GLU 74 Ca 0.58 -1.12 0.07 0.00 0.36 0.00 0.00 54.97 54.85 2kpn s GLU 74 Cb -0.10 -4.07 -0.04 0.00 0.26 0.00 0.00 34.13 30.18 2kpn s GLU 74 CO 0.15 -0.97 -0.05 0.14 -0.54 0.00 0.00 175.26 173.98 2kpn s VAL 75 N 1.87 3.57 0.01 3.70 -7.23 -0.12 -4.96 120.40 117.26 2kpn s VAL 75 Ca 0.07 -1.33 -0.10 0.00 -1.81 0.00 0.00 61.98 58.81 2kpn s VAL 75 Cb -0.21 -2.74 0.01 0.00 0.56 0.00 0.00 36.38 34.00 2kpn s VAL 75 CO 0.09 0.00 0.20 0.28 -0.31 0.00 0.00 175.10 175.36 2kpn s THR 76 N -1.48 0.09 0.04 5.32 -1.32 -1.26 -1.05 115.64 115.98 2kpn s THR 76 Ca 0.25 -0.72 -0.12 0.00 -1.21 0.00 0.00 61.69 59.89 2kpn s THR 76 Cb -0.10 -0.66 0.01 0.00 -1.51 0.00 0.00 72.50 70.24 2kpn s THR 76 CO 0.16 -0.40 0.25 0.00 -2.21 0.00 0.00 174.62 172.43 2kpn s ALA 77 N -1.84 -0.54 0.20 11.08 0.00 -0.46 -5.00 121.76 125.20 2kpn s ALA 77 Ca -0.11 -0.10 0.09 0.00 0.00 0.00 0.00 51.96 51.85 2kpn s ALA 77 Cb -0.05 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 2kpn s ALA 77 CO 0.00 -0.37 -0.10 0.15 0.00 0.00 0.00 175.76 175.44 2kpn s LYS 78 N -2.42 2.03 -0.07 0.00 1.02 -1.26 -0.53 119.74 118.50 2kpn s LYS 78 Ca -0.06 -1.33 0.01 0.00 0.02 0.00 0.00 55.97 54.61 2kpn s LYS 78 Cb -0.02 -2.12 0.02 0.00 -0.52 0.00 0.00 37.83 35.20 2kpn s LYS 78 CO -0.03 0.42 -0.07 -1.14 -0.92 0.00 0.00 175.35 173.61 2kpn s GLN 79 N -2.94 1.28 -0.55 1.68 0.74 0.26 -4.56 119.66 115.56 2kpn s GLN 79 Ca 0.26 -0.22 -0.21 0.00 0.05 0.00 0.00 55.36 55.23 2kpn s GLN 79 Cb -0.08 -1.24 0.06 0.00 1.10 0.00 0.00 33.01 32.84 2kpn s GLN 79 CO 0.15 -0.12 0.79 0.99 -0.55 0.00 0.00 175.29 176.55 2kpn s THR 80 N 1.17 4.62 -0.41 -0.34 2.01 -0.16 -0.87 115.64 121.67 2kpn s THR 80 Ca -0.06 -0.28 -0.15 0.00 0.31 0.00 0.00 61.69 61.52 2kpn s THR 80 Cb -0.14 -4.46 0.02 0.00 0.01 0.00 0.00 72.50 67.93 2kpn s THR 80 CO -0.02 -1.05 0.30 -0.69 -0.69 0.00 0.00 174.62 172.48 2kpn s VAL 81 N 3.30 5.26 -0.23 3.82 1.01 0.96 -0.45 120.40 134.07 2kpn s VAL 81 Ca 0.21 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.40 2kpn s VAL 81 Cb -0.17 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2kpn s VAL 81 CO 0.13 -0.30 0.36 -0.89 0.00 0.00 0.00 175.10 174.40 2kpn s THR 82 N 1.68 5.22 -0.19 3.92 2.01 0.73 -0.48 115.64 128.53 2kpn s THR 82 Ca 0.05 0.59 -0.07 0.00 0.31 0.00 0.00 61.69 62.57 2kpn s THR 82 Cb -0.19 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 2kpn s THR 82 CO 0.10 0.24 0.06 -0.69 -0.69 0.00 0.00 174.62 173.64 2kpn s VAL 83 N 1.49 4.69 0.28 3.82 1.01 0.34 -0.90 120.40 131.13 2kpn s VAL 83 Ca 0.16 -0.07 0.11 0.00 0.00 0.00 0.00 61.98 62.18 2kpn s VAL 83 Cb -0.15 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 2kpn s VAL 83 CO 0.08 0.44 -0.09 -0.54 0.00 0.00 0.00 175.10 175.00 2kpn s LYS 84 N 0.54 1.99 0.46 2.72 1.02 -0.03 -0.78 119.74 125.65 2kpn s LYS 84 Ca 0.03 -1.62 -0.11 0.00 0.02 0.00 0.00 55.97 54.29 2kpn s LYS 84 Cb -0.13 -1.95 -0.06 0.00 -0.52 0.00 0.00 37.83 35.17 2kpn s LYS 84 CO 0.01 0.31 0.84 0.08 -0.92 0.00 0.00 175.35 175.67 2kpn s VAL 85 N -2.44 4.75 -0.09 3.17 1.01 -1.26 -0.56 120.40 124.98 2kpn s VAL 85 Ca 0.31 0.69 -0.13 0.00 0.00 0.00 0.00 61.98 62.85 2kpn s VAL 85 Cb -0.05 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 2kpn s VAL 85 CO 0.18 -0.66 0.32 0.00 0.00 0.00 0.00 175.10 174.93 2kpn s ARG 86 N -4.15 3.96 0.22 2.72 1.70 -1.26 -4.86 118.95 117.27 2kpn s ARG 86 Ca 0.52 0.19 -0.04 0.00 -0.47 0.00 0.00 55.73 55.94 2kpn s ARG 86 Cb -0.10 -3.30 -0.05 0.00 -0.57 0.00 0.00 34.95 30.93 2kpn s ARG 86 CO 0.36 0.52 0.45 -1.83 -1.08 0.00 0.00 175.30 173.72 2kpn s GLU 87 N -0.44 3.61 0.47 3.89 -1.05 -1.26 -5.11 118.70 118.81 2kpn s GLU 87 Ca 0.20 -0.11 0.07 0.00 -0.15 0.00 0.00 54.97 54.98 2kpn s GLU 87 Cb -0.14 -2.76 0.00 0.00 -0.44 0.00 0.00 34.13 30.79 2kpn s GLU 87 CO 0.08 0.35 0.38 -1.83 0.95 0.00 0.00 175.26 175.19 2kpn s GLU 88 N -3.17 2.37 0.22 -4.83 -1.05 -1.26 -5.15 118.70 105.83 2kpn s GLU 88 Ca 0.42 -1.77 0.08 0.00 -0.15 0.00 0.00 54.97 53.56 2kpn s GLU 88 Cb -0.11 -2.23 -0.05 0.00 -0.44 0.00 0.00 34.13 31.30 2kpn s GLU 88 CO 0.27 -0.37 -0.15 0.14 0.95 0.00 0.00 175.26 176.10 2kpn s VAL 89 N -2.61 1.85 0.01 1.83 -7.23 -1.26 -5.17 120.40 107.83 2kpn s VAL 89 Ca 0.43 -2.24 0.03 0.00 -1.81 0.00 0.00 61.98 58.38 2kpn s VAL 89 Cb -0.02 -2.09 -0.01 0.00 0.56 0.00 0.00 36.38 34.82 2kpn s VAL 89 CO 0.25 -0.56 -0.09 -0.54 -0.31 0.00 0.00 175.10 173.84 2kpn s LYS 90 N -3.62 0.70 0.00 4.82 1.02 -1.26 -5.03 119.74 116.36 2kpn s LYS 90 Ca 0.24 -0.49 0.23 0.00 0.02 0.00 0.00 55.97 55.98 2kpn s LYS 90 Cb -0.01 -0.65 0.17 0.00 -0.52 0.00 0.00 37.83 36.82 2kpn s LYS 90 CO 0.08 0.17 1.19 -1.71 -0.92 0.00 0.00 175.35 174.16 2kpn n ASN 91 N 2.39 1.42 -3.40 2.83 5.15 -1.26 -4.66 115.26 117.73 2kpn n ASN 91 Ca -0.16 -1.13 -0.37 0.00 -0.60 0.00 0.00 54.58 52.32 2kpn n ASN 91 Cb 0.56 0.49 -0.02 0.00 -0.53 0.00 0.00 39.78 40.28 2kpn n ASN 91 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2kpn n ASP 92 N -0.64 6.56 -1.25 1.20 9.92 -1.26 -4.81 116.55 126.27 2kpn n ASP 92 Ca 0.08 -2.59 0.00 0.00 -0.53 0.00 0.00 54.79 51.76 2kpn n ASP 92 Cb 0.40 -1.46 0.00 0.00 -0.64 0.00 0.00 41.12 39.42 2kpn n ASP 92 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2kpn n LYS 93 N 4.48 -3.49 -1.56 -1.24 5.02 -1.26 -4.66 118.16 115.44 2kpn n LYS 93 Ca 0.65 2.64 -0.18 0.00 -2.02 0.00 0.00 58.31 59.39 2kpn n LYS 93 Cb 0.26 -3.06 -0.06 0.00 -0.02 0.00 0.00 35.03 32.14 2kpn n LYS 93 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2kpn n PRO 94 N -1.37 0.65 -2.54 1.97 -0.02 -1.26 -4.87 135.00 127.55 2kpn n PRO 94 Ca 0.00 -0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 60.39 2kpn n PRO 94 Cb 0.12 -3.62 -0.01 0.00 -0.02 0.00 0.00 33.50 29.97 2kpn n PRO 94 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2kpn s ILE 95 N 14.20 4.04 -0.39 4.25 1.01 -1.26 -4.84 121.20 138.20 2kpn s ILE 95 Ca 0.95 -1.59 0.03 0.00 0.00 0.00 0.00 60.65 60.04 2kpn s ILE 95 Cb -0.15 -5.12 0.26 0.00 0.01 0.00 0.00 42.46 37.46 2kpn s ILE 95 CO 0.12 -1.94 1.17 0.00 0.00 0.00 0.00 174.94 174.29 2kpn n LEU 96 N 8.88 3.66 0.00 2.97 -0.00 -1.26 -5.05 117.00 126.20 2kpn n LEU 96 Ca 0.45 -1.88 0.00 0.00 -0.00 0.00 0.00 56.01 54.58 2kpn n LEU 96 Cb 0.47 -0.60 0.00 0.00 -0.00 0.00 0.00 43.42 43.29 2kpn n LEU 96 CO 0.74 0.57 0.16 -1.84 -0.00 0.00 0.00 177.39 177.02