#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ee9 s SER 2 N 0.00 6.58 -0.14 1.61 1.04 -1.26 -4.90 113.70 116.63 2ee9 s SER 2 Ca 0.00 2.36 -0.28 0.00 0.48 0.00 0.00 55.95 58.51 2ee9 s SER 2 Cb 0.00 -2.53 -0.25 0.00 0.10 0.00 0.00 66.02 63.34 2ee9 s SER 2 CO 0.00 -0.98 0.72 0.77 0.98 0.00 0.00 173.24 174.72 2ee9 h SER 3 N 9.95 0.00 -4.01 7.02 4.64 -2.13 -3.51 113.55 125.51 2ee9 h SER 3 Ca -0.42 -0.95 0.00 0.00 -0.47 0.00 0.00 61.79 59.95 2ee9 h SER 3 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2ee9 h SER 3 CO 0.95 1.03 0.00 0.61 -0.87 0.00 0.00 176.83 178.55 2ee9 n GLY 4 N 1.60 1.01 3.88 -0.77 0.00 -1.26 -5.11 105.19 104.55 2ee9 n GLY 4 Ca -0.11 -1.94 -0.34 0.00 0.00 0.00 0.00 46.02 43.63 2ee9 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ee9 s SER 5 N -1.43 6.55 0.24 1.61 1.04 -1.26 -5.11 113.70 115.34 2ee9 s SER 5 Ca 0.00 0.65 0.08 0.00 0.48 0.00 0.00 55.95 57.15 2ee9 s SER 5 Cb 0.00 -2.12 -0.05 0.00 0.10 0.00 0.00 66.02 63.95 2ee9 s SER 5 CO 0.00 0.16 -0.12 -0.94 0.98 0.00 0.00 173.24 173.33 2ee9 s SER 6 N -1.95 2.74 0.17 7.02 1.04 -1.26 -5.05 113.70 116.41 2ee9 s SER 6 Ca 0.34 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.68 2ee9 s SER 6 Cb -0.13 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.83 2ee9 s SER 6 CO 0.20 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.81 2ee9 n GLY 7 N -0.48 -4.60 3.06 7.32 0.00 -1.26 -4.94 105.19 104.30 2ee9 n GLY 7 Ca -0.07 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 2ee9 n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ee9 s VAL 8 N -0.83 3.45 0.03 1.61 1.01 -1.26 -5.07 120.40 119.34 2ee9 s VAL 8 Ca 0.00 -3.07 -0.38 0.00 0.00 0.00 0.00 61.98 58.53 2ee9 s VAL 8 Cb 0.00 -3.28 -0.19 0.00 0.00 0.00 0.00 36.38 32.91 2ee9 s VAL 8 CO 0.00 -0.86 1.04 -1.54 0.00 0.00 0.00 175.10 173.74 2ee9 n SER 9 N 3.37 0.04 0.00 3.32 3.41 -1.26 -4.86 113.62 117.63 2ee9 n SER 9 Ca 0.07 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.84 2ee9 n SER 9 Cb 0.36 -0.95 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 2ee9 n SER 9 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2ee9 n ASP 10 N 1.64 1.52 -2.22 4.04 -0.08 -1.26 -4.80 116.55 115.38 2ee9 n ASP 10 Ca 0.20 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 53.17 2ee9 n ASP 10 Cb 0.11 0.00 0.06 0.00 2.34 0.00 0.00 41.12 43.63 2ee9 n ASP 10 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 2ee9 n MET 11 N -2.59 3.05 -1.62 -0.67 2.81 -1.26 -5.04 117.12 111.80 2ee9 n MET 11 Ca 0.00 -3.63 -0.44 0.00 -1.81 0.00 0.00 57.70 51.82 2ee9 n MET 11 Cb 0.39 -2.29 -0.01 0.00 -0.71 0.00 0.00 33.22 30.60 2ee9 n MET 11 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2ee9 n ASN 12 N -0.83 1.68 0.00 7.83 5.15 -1.26 -4.91 115.26 122.92 2ee9 n ASN 12 Ca 0.56 1.19 0.00 0.00 -0.60 0.00 0.00 54.58 55.72 2ee9 n ASN 12 Cb 0.77 -1.34 0.00 0.00 -0.53 0.00 0.00 39.78 38.68 2ee9 n ASN 12 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2ee9 n GLY 13 N 1.12 2.72 2.98 8.20 0.00 -1.26 -4.87 105.19 114.08 2ee9 n GLY 13 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 2ee9 n GLY 13 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2ee9 s LEU 14 N 0.00 2.62 0.00 0.99 2.34 -1.26 -4.91 118.68 118.46 2ee9 s LEU 14 Ca 0.00 -1.11 0.00 0.00 0.06 0.00 0.00 54.13 53.08 2ee9 s LEU 14 Cb 0.00 -1.27 0.00 0.00 -0.56 0.00 0.00 46.19 44.36 2ee9 s LEU 14 CO 0.00 -0.19 0.00 0.61 -1.06 0.00 0.00 176.35 175.71 2ee9 n GLY 15 N 4.63 3.34 3.45 -3.48 0.00 -1.26 -5.10 105.19 106.77 2ee9 n GLY 15 Ca -0.13 -0.30 -0.53 0.00 0.00 0.00 0.00 46.02 45.06 2ee9 n GLY 15 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ee9 n PHE 16 N 0.00 0.10 -1.76 1.61 3.72 -1.26 -4.80 117.46 115.07 2ee9 n PHE 16 Ca 0.00 0.99 -0.41 0.00 -0.05 0.00 0.00 57.45 57.98 2ee9 n PHE 16 Cb 0.00 -2.03 -0.01 0.00 -0.94 0.00 0.00 39.48 36.50 2ee9 n PHE 16 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2ee9 n LYS 17 N 1.25 2.71 -2.13 -1.08 3.00 -1.26 -4.82 118.16 115.82 2ee9 n LYS 17 Ca 0.19 0.96 -0.35 0.00 -0.00 0.00 0.00 58.31 59.11 2ee9 n LYS 17 Cb 0.18 -2.73 0.01 0.00 0.00 0.00 0.00 35.03 32.49 2ee9 n LYS 17 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2ee9 s PRO 18 N -0.99 3.22 -0.37 1.64 0.04 -1.26 -4.76 135.00 132.51 2ee9 s PRO 18 Ca 0.61 1.55 0.03 0.00 0.04 0.00 0.00 61.00 63.23 2ee9 s PRO 18 Cb -0.49 -1.99 0.11 0.00 0.04 0.00 0.00 34.50 32.17 2ee9 s PRO 18 CO 0.53 -0.95 0.09 0.12 0.04 0.00 0.00 177.00 176.84 2ee9 s PHE 19 N -1.92 3.68 0.01 0.56 5.36 -1.25 -5.06 117.98 119.37 2ee9 s PHE 19 Ca 0.71 -2.98 -0.07 0.00 -0.96 0.00 0.00 56.93 53.63 2ee9 s PHE 19 Cb -0.23 -2.94 -0.05 0.00 -0.34 0.00 0.00 43.02 39.46 2ee9 s PHE 19 CO 0.31 -0.92 0.27 0.16 -1.46 0.00 0.00 175.22 173.57 2ee9 s ASP 20 N 0.82 6.50 0.01 6.13 -4.77 -1.26 -2.93 116.67 121.16 2ee9 s ASP 20 Ca 0.12 0.57 -0.09 0.00 -3.30 0.00 0.00 52.55 49.85 2ee9 s ASP 20 Cb -0.20 -2.09 0.00 0.00 -1.09 0.00 0.00 42.92 39.54 2ee9 s ASP 20 CO -0.07 0.25 0.17 -0.22 0.70 0.00 0.00 175.17 176.00 2ee9 s LEU 21 N -1.76 1.44 -0.18 2.11 0.20 0.11 -4.96 118.68 115.65 2ee9 s LEU 21 Ca 0.28 -0.21 -0.00 0.00 0.69 0.00 0.00 54.13 54.88 2ee9 s LEU 21 Cb -0.13 0.80 0.04 0.00 -0.43 0.00 0.00 46.19 46.47 2ee9 s LEU 21 CO 0.16 -0.42 -0.06 0.54 -0.29 0.00 0.00 176.35 176.28 2ee9 s VAL 22 N -1.63 1.24 0.18 1.68 0.11 -1.26 0.46 120.40 121.17 2ee9 s VAL 22 Ca -0.13 -0.77 -0.32 0.00 -2.93 0.00 0.00 61.98 57.83 2ee9 s VAL 22 Cb -0.06 -1.42 -0.16 0.00 -1.53 0.00 0.00 36.38 33.22 2ee9 s VAL 22 CO 0.01 0.10 1.09 -0.38 -3.33 0.00 0.00 175.10 172.59 2ee9 n ILE 23 N 4.82 1.05 -0.06 7.04 5.41 -1.20 -4.90 119.36 131.52 2ee9 n ILE 23 Ca -0.12 -0.26 -0.13 0.00 1.00 0.00 0.00 62.75 63.23 2ee9 n ILE 23 Cb 0.47 -0.75 -0.06 0.00 -0.71 0.00 0.00 39.64 38.58 2ee9 n ILE 23 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 2ee9 h PRO 24 N 3.02 0.42 -7.51 0.38 0.13 -1.99 -3.44 132.00 123.01 2ee9 h PRO 24 Ca -0.42 -0.22 -0.46 0.00 -0.87 0.00 0.00 66.00 64.03 2ee9 h PRO 24 Cb 1.35 0.01 0.13 0.00 0.13 0.00 0.00 31.00 32.62 2ee9 h PRO 24 CO 0.68 0.78 0.28 -0.59 -0.23 0.00 0.00 178.00 178.92 2ee9 s PHE 25 N -4.33 1.50 -0.13 1.56 -0.71 -1.26 -5.08 117.98 109.54 2ee9 s PHE 25 Ca -0.14 0.02 -0.08 0.00 -1.04 0.00 0.00 56.93 55.69 2ee9 s PHE 25 Cb 0.06 -3.63 -0.04 0.00 -1.21 0.00 0.00 43.02 38.20 2ee9 s PHE 25 CO 0.77 -2.27 0.16 0.00 -1.34 0.00 0.00 175.22 172.54 2ee9 s ALA 26 N -3.57 3.82 0.10 1.99 0.00 -1.26 -4.87 121.76 117.97 2ee9 s ALA 26 Ca 0.71 -0.62 -0.09 0.00 0.00 0.00 0.00 51.96 51.97 2ee9 s ALA 26 Cb -0.04 -2.06 -0.00 0.00 0.00 0.00 0.00 23.12 21.02 2ee9 s ALA 26 CO 0.49 0.49 0.20 0.54 0.00 0.00 0.00 175.76 177.48 2ee9 s VAL 27 N -0.67 0.13 -0.05 0.00 0.11 -1.26 -5.15 120.40 113.50 2ee9 s VAL 27 Ca 0.14 -1.22 -0.01 0.00 -2.93 0.00 0.00 61.98 57.96 2ee9 s VAL 27 Cb -0.12 -1.42 -0.03 0.00 -1.53 0.00 0.00 36.38 33.27 2ee9 s VAL 27 CO 0.03 -0.60 0.01 -0.13 -3.33 0.00 0.00 175.10 171.08 2ee9 s ARG 28 N -3.88 2.92 -1.09 1.54 1.81 -1.26 -4.86 118.95 114.14 2ee9 s ARG 28 Ca 0.07 -0.48 -0.21 0.00 -1.72 0.00 0.00 55.73 53.39 2ee9 s ARG 28 Cb 0.05 -2.76 0.06 0.00 -0.45 0.00 0.00 34.95 31.85 2ee9 s ARG 28 CO -0.09 0.68 1.51 0.21 -0.68 0.00 0.00 175.30 176.92 2ee9 s LYS 29 N -1.14 3.70 0.00 3.54 2.20 -1.26 -4.49 119.74 122.29 2ee9 s LYS 29 Ca 0.16 -1.39 0.00 0.00 -0.36 0.00 0.00 55.97 54.38 2ee9 s LYS 29 Cb -0.11 -5.38 0.00 0.00 -1.51 0.00 0.00 37.83 30.83 2ee9 s LYS 29 CO 0.05 -2.20 0.00 0.41 -0.36 0.00 0.00 175.35 173.26 2ee9 n GLY 30 N 6.42 -1.19 1.71 5.54 0.00 -1.26 -4.94 105.19 111.47 2ee9 n GLY 30 Ca 0.37 0.36 -0.14 0.00 0.00 0.00 0.00 46.02 46.61 2ee9 n GLY 30 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ee9 n GLU 31 N -0.87 1.69 -4.06 1.61 -0.58 -1.26 -4.90 120.64 112.26 2ee9 n GLU 31 Ca 0.00 -1.54 -0.29 0.00 -0.42 0.00 0.00 57.16 54.91 2ee9 n GLU 31 Cb 0.00 -1.60 -0.06 0.00 -0.57 0.00 0.00 31.44 29.20 2ee9 n GLU 31 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 2ee9 s ILE 32 N -1.89 4.49 0.20 -3.67 2.07 -1.26 -0.04 121.20 121.09 2ee9 s ILE 32 Ca 0.30 -0.88 -0.14 0.00 -1.41 0.00 0.00 60.65 58.52 2ee9 s ILE 32 Cb 0.24 -3.20 0.01 0.00 0.13 0.00 0.00 42.46 39.64 2ee9 s ILE 32 CO 0.04 0.05 0.44 0.42 -1.91 0.00 0.00 174.94 173.98 2ee9 s THR 33 N -1.50 0.03 0.11 4.00 -4.23 -0.87 -4.96 115.64 108.22 2ee9 s THR 33 Ca 0.30 -1.13 -0.19 0.00 -1.18 0.00 0.00 61.69 59.49 2ee9 s THR 33 Cb -0.11 -1.83 0.04 0.00 1.34 0.00 0.00 72.50 71.94 2ee9 s THR 33 CO 0.22 -0.14 0.46 -0.83 -0.54 0.00 0.00 174.62 173.79 2ee9 s GLY 34 N -2.94 -0.36 0.07 3.99 0.00 -1.26 -1.77 107.32 105.05 2ee9 s GLY 34 Ca 0.15 0.19 -0.10 0.00 0.00 0.00 0.00 44.72 44.96 2ee9 s GLY 34 CO 0.01 -0.09 0.23 1.85 0.00 0.00 0.00 173.10 175.11 2ee9 s GLU 35 N -3.44 0.82 -0.11 2.90 2.12 0.07 -4.37 118.70 116.69 2ee9 s GLU 35 Ca 0.00 -0.78 -0.02 0.00 0.36 0.00 0.00 54.97 54.53 2ee9 s GLU 35 Cb 0.01 0.34 0.04 0.00 0.26 0.00 0.00 34.13 34.78 2ee9 s GLU 35 CO -0.10 -0.26 0.03 0.08 -0.54 0.00 0.00 175.26 174.47 2ee9 s VAL 36 N -3.32 0.25 -0.36 3.70 1.01 0.60 -0.19 120.40 122.10 2ee9 s VAL 36 Ca 0.01 -0.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.74 2ee9 s VAL 36 Cb 0.02 -0.59 0.01 0.00 0.00 0.00 0.00 36.38 35.82 2ee9 s VAL 36 CO -0.08 0.05 0.67 -1.00 0.00 0.00 0.00 175.10 174.74 2ee9 s HIS 37 N 2.01 3.14 0.34 5.22 3.76 -0.23 -0.60 115.29 128.92 2ee9 s HIS 37 Ca 0.03 0.38 -0.25 0.00 -0.15 0.00 0.00 55.06 55.07 2ee9 s HIS 37 Cb -0.14 -3.22 -0.10 0.00 1.11 0.00 0.00 32.58 30.23 2ee9 s HIS 37 CO -0.06 -0.67 0.95 -1.64 -0.85 0.00 0.00 174.74 172.47 2ee9 s MET 38 N 2.82 4.52 0.38 1.40 -1.94 -0.11 -2.59 119.30 123.77 2ee9 s MET 38 Ca 0.26 1.31 0.28 0.00 -1.71 0.00 0.00 55.69 55.83 2ee9 s MET 38 Cb -0.14 -2.71 1.16 0.00 2.01 0.00 0.00 34.83 35.15 2ee9 s MET 38 CO 0.16 0.22 1.83 -1.00 -0.01 0.00 0.00 175.02 176.21 2ee9 h PRO 39 N 2.98 0.00 0.00 2.03 0.13 -1.87 -2.49 132.00 132.78 2ee9 h PRO 39 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2ee9 h PRO 39 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2ee9 h PRO 39 CO 0.64 0.00 -0.22 1.03 -0.23 0.00 0.00 178.00 179.23 2ee9 h SER 40 N 0.00 0.00 0.00 1.44 0.87 -1.91 -3.47 113.55 110.48 2ee9 h SER 40 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2ee9 h SER 40 Cb 0.41 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2ee9 h SER 40 CO 0.00 0.01 0.00 0.61 -0.53 0.00 0.00 176.83 176.92 2ee9 n GLY 41 N 1.19 1.70 2.30 5.77 0.00 -0.94 -5.13 105.19 110.08 2ee9 n GLY 41 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 2ee9 n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ee9 n LYS 42 N -0.63 1.09 -3.93 1.61 5.02 -1.24 -4.96 118.16 115.12 2ee9 n LYS 42 Ca 0.00 -2.18 -0.09 0.00 -2.02 0.00 0.00 58.31 54.01 2ee9 n LYS 42 Cb 0.00 0.38 -0.09 0.00 -0.02 0.00 0.00 35.03 35.30 2ee9 n LYS 42 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2ee9 s THR 43 N -1.86 0.14 0.07 -0.18 -4.23 -1.26 -0.93 115.64 107.39 2ee9 s THR 43 Ca 0.11 -1.13 -0.22 0.00 -1.18 0.00 0.00 61.69 59.27 2ee9 s THR 43 Cb -0.01 -0.95 0.05 0.00 1.34 0.00 0.00 72.50 72.94 2ee9 s THR 43 CO 0.07 -0.62 0.52 0.00 -0.54 0.00 0.00 174.62 174.05 2ee9 s ALA 44 N -2.74 -1.33 -0.15 3.99 0.00 0.23 -4.94 121.76 116.82 2ee9 s ALA 44 Ca -0.04 0.51 -0.06 0.00 0.00 0.00 0.00 51.96 52.37 2ee9 s ALA 44 Cb -0.00 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.57 2ee9 s ALA 44 CO -0.05 -0.56 0.06 0.95 0.00 0.00 0.00 175.76 176.16 2ee9 s THR 45 N -2.80 4.82 0.95 0.00 -4.23 -1.26 0.22 115.64 113.34 2ee9 s THR 45 Ca -0.03 -0.03 -0.16 0.00 -1.18 0.00 0.00 61.69 60.28 2ee9 s THR 45 Cb -0.00 -3.13 0.24 0.00 1.34 0.00 0.00 72.50 70.94 2ee9 s THR 45 CO -0.05 0.52 0.85 -0.81 -0.54 0.00 0.00 174.62 174.59 2ee9 n PRO 46 N 2.99 -2.67 -3.22 3.99 -0.04 -1.26 -4.94 135.00 129.85 2ee9 n PRO 46 Ca -0.18 -1.35 -0.39 0.00 -0.04 0.00 0.00 63.50 61.54 2ee9 n PRO 46 Cb 0.53 -1.27 -0.06 0.00 -0.04 0.00 0.00 33.50 32.66 2ee9 n PRO 46 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2ee9 s GLU 47 N -4.92 4.27 -0.39 0.54 2.56 -0.10 -4.89 118.70 115.77 2ee9 s GLU 47 Ca 0.55 0.81 0.01 0.00 0.00 0.00 0.00 54.97 56.33 2ee9 s GLU 47 Cb -0.05 -3.25 0.13 0.00 2.00 0.00 0.00 34.13 32.96 2ee9 s GLU 47 CO 0.42 0.61 0.21 0.42 -0.56 0.00 0.00 175.26 176.36 2ee9 s ILE 48 N -1.05 0.73 -0.01 -3.70 1.01 -1.25 -3.93 121.20 113.00 2ee9 s ILE 48 Ca 0.30 -2.03 0.01 0.00 0.00 0.00 0.00 60.65 58.93 2ee9 s ILE 48 Cb -0.20 -1.52 0.00 0.00 0.01 0.00 0.00 42.46 40.75 2ee9 s ILE 48 CO 0.20 -0.92 -0.04 -0.69 0.00 0.00 0.00 174.94 173.49 2ee9 s VAL 49 N 0.82 0.36 -0.53 2.92 1.01 -1.26 -4.99 120.40 118.74 2ee9 s VAL 49 Ca 0.17 -0.15 -0.16 0.00 0.00 0.00 0.00 61.98 61.85 2ee9 s VAL 49 Cb -0.23 -0.34 0.12 0.00 0.00 0.00 0.00 36.38 35.92 2ee9 s VAL 49 CO -0.02 0.13 0.48 -0.62 0.00 0.00 0.00 175.10 175.07 2ee9 s ASP 50 N 0.20 6.18 1.04 3.32 -1.08 -1.26 -1.67 116.67 123.39 2ee9 s ASP 50 Ca -0.02 -1.67 -0.23 0.00 -0.52 0.00 0.00 52.55 50.11 2ee9 s ASP 50 Cb -0.05 -2.21 -0.08 0.00 -1.46 0.00 0.00 42.92 39.12 2ee9 s ASP 50 CO -0.00 -0.82 -0.82 0.59 0.52 0.00 0.00 175.17 174.64 2ee9 n ASN 51 N 5.28 -3.09 -0.23 -0.34 3.02 0.11 -4.78 115.26 115.24 2ee9 n ASN 51 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 2ee9 n ASN 51 Cb 0.41 -0.73 0.02 0.00 -0.61 0.00 0.00 39.78 38.86 2ee9 n ASN 51 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2ee9 n LYS 52 N 0.69 1.11 -0.06 3.52 4.01 -1.26 -3.35 118.16 122.81 2ee9 n LYS 52 Ca -0.01 -0.13 -0.08 0.00 -0.51 0.00 0.00 58.31 57.59 2ee9 n LYS 52 Cb 0.68 -1.19 -0.06 0.00 -0.51 0.00 0.00 35.03 33.94 2ee9 n LYS 52 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2ee9 n ASP 53 N -0.26 2.90 0.00 4.39 9.92 -1.26 -5.03 116.55 127.20 2ee9 n ASP 53 Ca 0.01 -0.06 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 2ee9 n ASP 53 Cb 0.12 -0.04 0.00 0.00 -0.64 0.00 0.00 41.12 40.55 2ee9 n ASP 53 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ee9 n GLY 54 N 2.79 0.82 3.24 0.44 0.00 -1.21 -5.16 105.19 106.10 2ee9 n GLY 54 Ca -0.22 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 2ee9 n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ee9 s THR 55 N -0.88 0.75 0.17 2.61 -4.23 -1.26 -4.71 115.64 108.08 2ee9 s THR 55 Ca 0.00 -1.98 0.06 0.00 -1.18 0.00 0.00 61.69 58.59 2ee9 s THR 55 Cb 0.00 -2.04 -0.04 0.00 1.34 0.00 0.00 72.50 71.76 2ee9 s THR 55 CO 0.00 -0.55 0.07 -0.69 -0.54 0.00 0.00 174.62 172.91 2ee9 s VAL 56 N -3.61 4.15 -0.26 2.29 1.01 -1.26 0.09 120.40 122.82 2ee9 s VAL 56 Ca 0.22 -1.22 0.01 0.00 0.00 0.00 0.00 61.98 60.99 2ee9 s VAL 56 Cb 0.06 -3.10 0.07 0.00 0.00 0.00 0.00 36.38 33.40 2ee9 s VAL 56 CO 0.03 -0.10 -0.03 -0.89 0.00 0.00 0.00 175.10 174.10 2ee9 s THR 57 N -1.73 1.68 -0.36 3.92 2.01 -0.67 -3.25 115.64 117.24 2ee9 s THR 57 Ca 0.29 -1.47 -0.13 0.00 0.31 0.00 0.00 61.69 60.69 2ee9 s THR 57 Cb -0.10 -1.99 -0.01 0.00 0.01 0.00 0.00 72.50 70.42 2ee9 s THR 57 CO 0.21 -0.22 0.25 -0.69 -0.69 0.00 0.00 174.62 173.48 2ee9 s VAL 58 N 1.30 5.19 -0.02 3.82 1.01 0.17 -3.91 120.40 127.96 2ee9 s VAL 58 Ca -0.02 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 2ee9 s VAL 58 Cb -0.19 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.48 2ee9 s VAL 58 CO -0.08 -0.09 0.23 0.00 0.00 0.00 0.00 175.10 175.16 2ee9 s ARG 59 N 1.69 0.52 -0.09 2.72 1.04 -1.26 0.09 118.95 123.68 2ee9 s ARG 59 Ca 0.05 -0.18 -0.06 0.00 -1.04 0.00 0.00 55.73 54.50 2ee9 s ARG 59 Cb -0.18 0.23 0.03 0.00 -2.04 0.00 0.00 34.95 32.99 2ee9 s ARG 59 CO 0.10 -0.13 0.21 -0.47 -0.04 0.00 0.00 175.30 174.97 2ee9 s TYR 60 N -1.09 -0.26 -0.43 5.89 5.04 -1.15 -0.92 117.35 124.43 2ee9 s TYR 60 Ca -0.12 0.63 -0.23 0.00 -2.44 0.00 0.00 57.07 54.92 2ee9 s TYR 60 Cb -0.06 0.04 0.02 0.00 0.35 0.00 0.00 41.96 42.32 2ee9 s TYR 60 CO 0.02 -0.16 0.77 0.00 -1.34 0.00 0.00 175.55 174.84 2ee9 s ALA 61 N 0.70 3.32 0.16 3.97 0.00 -1.26 -3.84 121.76 124.81 2ee9 s ALA 61 Ca -0.05 -0.94 -0.30 0.00 0.00 0.00 0.00 51.96 50.67 2ee9 s ALA 61 Cb -0.06 -3.43 -0.08 0.00 0.00 0.00 0.00 23.12 19.54 2ee9 s ALA 61 CO -0.04 -1.82 1.33 -1.25 0.00 0.00 0.00 175.76 173.98 2ee9 s PRO 62 N 3.21 4.37 -0.20 0.00 0.04 -1.26 -4.94 135.00 136.22 2ee9 s PRO 62 Ca 0.30 2.04 0.16 0.00 0.04 0.00 0.00 61.00 63.54 2ee9 s PRO 62 Cb -0.12 -3.22 -0.24 0.00 0.04 0.00 0.00 34.50 30.95 2ee9 s PRO 62 CO 0.21 -0.31 0.04 2.41 0.04 0.00 0.00 177.00 179.39 2ee9 n THR 63 N 3.13 1.39 -4.55 1.26 -1.04 -1.26 -4.62 114.28 108.59 2ee9 n THR 63 Ca 0.08 -0.83 -0.26 0.00 -2.04 0.00 0.00 64.05 61.00 2ee9 n THR 63 Cb 0.43 -0.55 -0.11 0.00 -1.82 0.00 0.00 70.33 68.28 2ee9 n THR 63 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2ee9 s GLU 64 N -2.49 1.84 0.29 -2.82 2.02 -1.26 -5.03 118.70 111.25 2ee9 s GLU 64 Ca -0.12 -1.97 -0.02 0.00 0.02 0.00 0.00 54.97 52.88 2ee9 s GLU 64 Cb 0.06 -1.66 -0.04 0.00 0.10 0.00 0.00 34.13 32.59 2ee9 s GLU 64 CO 0.81 0.09 0.51 0.14 0.02 0.00 0.00 175.26 176.83 2ee9 s VAL 65 N -2.66 5.10 -2.50 2.63 -7.23 -1.26 -4.86 120.40 109.62 2ee9 s VAL 65 Ca 0.33 -0.25 0.00 0.00 -1.81 0.00 0.00 61.98 60.25 2ee9 s VAL 65 Cb 0.04 -3.78 0.00 0.00 0.56 0.00 0.00 36.38 33.20 2ee9 s VAL 65 CO 0.17 -0.38 0.00 0.61 -0.31 0.00 0.00 175.10 175.18 2ee9 n GLY 66 N -1.21 0.63 3.46 2.32 0.00 -1.19 -4.81 105.19 104.39 2ee9 n GLY 66 Ca -0.04 -1.95 -0.36 0.00 0.00 0.00 0.00 46.02 43.67 2ee9 n GLY 66 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ee9 s LEU 67 N 0.00 3.45 -0.12 0.99 2.96 -1.26 -1.04 118.68 123.66 2ee9 s LEU 67 Ca 0.00 -0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 53.72 2ee9 s LEU 67 Cb 0.00 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.75 2ee9 s LEU 67 CO 0.00 -0.01 -0.09 -1.00 -1.32 0.00 0.00 176.35 173.93 2ee9 s HIS 68 N 1.44 2.89 -0.22 5.38 3.76 -1.08 -3.67 115.29 123.79 2ee9 s HIS 68 Ca 0.05 -0.36 -0.04 0.00 -0.15 0.00 0.00 55.06 54.57 2ee9 s HIS 68 Cb -0.15 -1.83 -0.01 0.00 1.11 0.00 0.00 32.58 31.70 2ee9 s HIS 68 CO 0.03 -0.01 -0.05 -2.00 -0.85 0.00 0.00 174.74 171.86 2ee9 s GLU 69 N 0.02 3.37 0.10 1.40 2.12 -1.07 -1.44 118.70 123.20 2ee9 s GLU 69 Ca -0.02 -0.63 -0.07 0.00 0.36 0.00 0.00 54.97 54.61 2ee9 s GLU 69 Cb -0.14 -2.99 -0.06 0.00 0.26 0.00 0.00 34.13 31.21 2ee9 s GLU 69 CO 0.04 -0.19 0.37 1.41 -0.54 0.00 0.00 175.26 176.34 2ee9 s MET 70 N 1.45 3.66 -0.23 4.30 -2.45 -0.59 -1.07 119.30 124.36 2ee9 s MET 70 Ca 0.05 -0.01 -0.03 0.00 -1.25 0.00 0.00 55.69 54.46 2ee9 s MET 70 Cb -0.14 -2.93 0.07 0.00 1.25 0.00 0.00 34.83 33.08 2ee9 s MET 70 CO -0.03 0.52 0.06 -1.01 1.05 0.00 0.00 175.02 175.61 2ee9 s HIS 71 N -1.53 1.08 -0.09 4.11 3.76 0.74 -2.36 115.29 120.99 2ee9 s HIS 71 Ca 0.37 -1.05 0.01 0.00 -0.15 0.00 0.00 55.06 54.24 2ee9 s HIS 71 Cb -0.13 -1.16 -0.02 0.00 1.11 0.00 0.00 32.58 32.38 2ee9 s HIS 71 CO 0.21 -0.69 -0.12 0.42 -0.85 0.00 0.00 174.74 173.71 2ee9 s ILE 72 N 1.84 3.22 -0.07 0.60 1.01 -1.26 -0.75 121.20 125.79 2ee9 s ILE 72 Ca 0.03 -0.63 -0.00 0.00 0.00 0.00 0.00 60.65 60.04 2ee9 s ILE 72 Cb -0.17 -2.32 0.02 0.00 0.01 0.00 0.00 42.46 40.01 2ee9 s ILE 72 CO -0.15 0.56 -0.03 -0.54 0.00 0.00 0.00 174.94 174.77 2ee9 s LYS 73 N -0.23 0.88 -0.25 2.79 1.02 -0.73 -3.59 119.74 119.64 2ee9 s LYS 73 Ca 0.01 -0.05 -0.13 0.00 0.02 0.00 0.00 55.97 55.82 2ee9 s LYS 73 Cb -0.13 -1.05 -0.04 0.00 -0.52 0.00 0.00 37.83 36.09 2ee9 s LYS 73 CO 0.03 -0.21 0.29 -0.47 -0.92 0.00 0.00 175.35 174.07 2ee9 s TYR 74 N 1.51 3.29 -1.53 3.18 5.04 0.57 -2.05 117.35 127.36 2ee9 s TYR 74 Ca -0.01 0.36 -0.13 0.00 -2.44 0.00 0.00 57.07 54.85 2ee9 s TYR 74 Cb -0.13 -2.45 0.09 0.00 0.35 0.00 0.00 41.96 39.81 2ee9 s TYR 74 CO -0.04 -0.09 0.92 -1.33 -1.34 0.00 0.00 175.55 173.68 2ee9 n MET 75 N 4.81 -5.14 -2.27 4.97 2.81 0.94 -0.61 117.12 122.63 2ee9 n MET 75 Ca -0.11 0.57 -0.12 0.00 -1.81 0.00 0.00 57.70 56.22 2ee9 n MET 75 Cb 0.51 -5.39 -0.00 0.00 -0.71 0.00 0.00 33.22 27.63 2ee9 n MET 75 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ee9 n GLY 76 N -1.66 -0.12 2.72 3.03 0.00 -1.26 -5.01 105.19 102.90 2ee9 n GLY 76 Ca 0.01 -0.37 -0.19 0.00 0.00 0.00 0.00 46.02 45.46 2ee9 n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ee9 s SER 77 N -2.49 0.96 0.48 1.61 0.01 0.22 -5.12 113.70 109.37 2ee9 s SER 77 Ca 0.01 0.03 -0.24 0.00 1.31 0.00 0.00 55.95 57.07 2ee9 s SER 77 Cb -0.01 -0.19 -0.07 0.00 0.21 0.00 0.00 66.02 65.96 2ee9 s SER 77 CO 0.02 -0.20 1.37 -1.00 0.41 0.00 0.00 173.24 173.83 2ee9 s HIS 78 N 1.82 2.48 0.27 2.43 3.76 -1.26 -0.32 115.29 124.47 2ee9 s HIS 78 Ca 0.01 1.34 -0.00 0.00 -0.15 0.00 0.00 55.06 56.26 2ee9 s HIS 78 Cb -0.12 -3.81 -0.04 0.00 1.11 0.00 0.00 32.58 29.72 2ee9 s HIS 78 CO -0.03 -2.71 0.47 0.96 -0.85 0.00 0.00 174.74 172.58 2ee9 s ILE 79 N -1.27 5.15 -2.00 0.60 -4.36 -1.24 -4.86 121.20 113.23 2ee9 s ILE 79 Ca 0.64 -0.41 0.15 0.00 -0.26 0.00 0.00 60.65 60.77 2ee9 s ILE 79 Cb -0.41 -3.79 0.42 0.00 1.25 0.00 0.00 42.46 39.93 2ee9 s ILE 79 CO 0.51 -0.35 1.31 -0.81 0.24 0.00 0.00 174.94 175.84 2ee9 n PRO 80 N -1.18 0.49 -0.01 0.37 -0.04 -1.26 -1.95 135.00 131.43 2ee9 n PRO 80 Ca -0.05 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.51 2ee9 n PRO 80 Cb 0.55 -1.47 -0.14 0.00 -0.04 0.00 0.00 33.50 32.40 2ee9 n PRO 80 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2ee9 n GLU 81 N -0.97 0.65 -4.37 0.54 4.07 -1.26 -4.99 120.64 114.31 2ee9 n GLU 81 Ca 0.11 -0.13 -0.19 0.00 -0.06 0.00 0.00 57.16 56.89 2ee9 n GLU 81 Cb 0.05 -1.43 -0.10 0.00 -0.06 0.00 0.00 31.44 29.90 2ee9 n GLU 81 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 2ee9 s SER 82 N -3.83 2.69 0.87 4.31 0.01 -0.82 -4.28 113.70 112.65 2ee9 s SER 82 Ca -0.03 -1.06 -0.11 0.00 1.31 0.00 0.00 55.95 56.05 2ee9 s SER 82 Cb 0.13 -0.16 0.11 0.00 0.21 0.00 0.00 66.02 66.32 2ee9 s SER 82 CO 0.79 -0.19 1.09 -2.16 0.41 0.00 0.00 173.24 173.17 2ee9 s PRO 83 N -3.65 1.46 0.13 12.44 0.04 -1.26 -4.47 135.00 139.68 2ee9 s PRO 83 Ca 0.25 0.89 -0.00 0.00 0.04 0.00 0.00 61.00 62.17 2ee9 s PRO 83 Cb -0.00 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 2ee9 s PRO 83 CO 0.09 -2.12 0.03 -0.48 0.04 0.00 0.00 177.00 174.55 2ee9 s LEU 84 N -6.16 1.97 -0.01 -3.56 0.05 -1.00 -4.99 118.68 104.98 2ee9 s LEU 84 Ca 0.63 -1.17 0.03 0.00 0.05 0.00 0.00 54.13 53.66 2ee9 s LEU 84 Cb -0.18 0.17 -0.00 0.00 -2.05 0.00 0.00 46.19 44.13 2ee9 s LEU 84 CO 0.57 -0.66 -0.09 -1.10 -0.55 0.00 0.00 176.35 174.51 2ee9 s GLN 85 N -3.99 0.82 -0.11 1.48 -0.21 -1.26 -1.54 119.66 114.84 2ee9 s GLN 85 Ca 0.22 -0.33 -0.04 0.00 0.02 0.00 0.00 55.36 55.23 2ee9 s GLN 85 Cb 0.07 -0.79 0.05 0.00 1.00 0.00 0.00 33.01 33.35 2ee9 s GLN 85 CO 0.01 0.18 0.15 -0.59 -2.12 0.00 0.00 175.29 172.93 2ee9 s PHE 86 N -0.11 -0.13 0.28 0.91 -0.71 -0.52 -4.99 117.98 112.70 2ee9 s PHE 86 Ca 0.02 0.41 -0.29 0.00 -1.04 0.00 0.00 56.93 56.03 2ee9 s PHE 86 Cb -0.05 -0.35 -0.09 0.00 -1.21 0.00 0.00 43.02 41.32 2ee9 s PHE 86 CO -0.00 -0.35 0.98 -0.47 -1.34 0.00 0.00 175.22 174.04 2ee9 s TYR 87 N 2.27 3.79 -0.39 3.49 5.04 -1.26 -2.65 117.35 127.64 2ee9 s TYR 87 Ca 0.04 1.82 -0.02 0.00 -2.44 0.00 0.00 57.07 56.48 2ee9 s TYR 87 Cb -0.13 -3.05 0.11 0.00 0.35 0.00 0.00 41.96 39.24 2ee9 s TYR 87 CO -0.07 0.11 0.17 0.08 -1.34 0.00 0.00 175.55 174.50 2ee9 s VAL 88 N -1.30 3.09 0.48 3.14 1.01 -0.21 -4.99 120.40 121.63 2ee9 s VAL 88 Ca 0.45 -2.09 -0.12 0.00 0.00 0.00 0.00 61.98 60.22 2ee9 s VAL 88 Cb -0.25 -3.14 -0.06 0.00 0.00 0.00 0.00 36.38 32.93 2ee9 s VAL 88 CO 0.32 -0.65 0.88 0.54 0.00 0.00 0.00 175.10 176.18 2ee9 s ASN 89 N 1.64 6.48 0.24 3.32 4.22 -1.26 -3.15 114.94 126.43 2ee9 s ASN 89 Ca 0.08 1.29 -0.29 0.00 -2.14 0.00 0.00 52.86 51.80 2ee9 s ASN 89 Cb -0.22 -2.39 -0.09 0.00 1.28 0.00 0.00 41.25 39.83 2ee9 s ASN 89 CO -0.05 -0.55 0.93 -0.47 -2.04 0.00 0.00 177.10 174.93 2ee9 s TYR 90 N -2.61 3.96 0.76 1.54 5.04 -1.26 -4.87 117.35 119.92 2ee9 s TYR 90 Ca 0.54 1.89 -0.11 0.00 -2.44 0.00 0.00 57.07 56.95 2ee9 s TYR 90 Cb -0.10 -2.96 0.05 0.00 0.35 0.00 0.00 41.96 39.29 2ee9 s TYR 90 CO 0.36 0.44 1.09 -1.25 -1.34 0.00 0.00 175.55 174.86 2ee9 s PRO 91 N -1.24 2.32 0.24 4.97 0.04 -1.26 -5.06 135.00 135.00 2ee9 s PRO 91 Ca 0.41 1.20 0.03 0.00 0.04 0.00 0.00 61.00 62.69 2ee9 s PRO 91 Cb -0.25 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 2ee9 s PRO 91 CO 0.31 -1.60 0.38 0.54 0.04 0.00 0.00 177.00 176.67 2ee9 s ASN 92 N -3.28 6.33 -0.65 6.66 2.20 -1.26 -5.05 114.94 119.89 2ee9 s ASN 92 Ca 0.62 0.19 -0.23 0.00 -0.94 0.00 0.00 52.86 52.49 2ee9 s ASN 92 Cb -0.18 -1.91 0.06 0.00 -2.00 0.00 0.00 41.25 37.22 2ee9 s ASN 92 CO 0.54 -0.08 1.00 -0.94 -2.94 0.00 0.00 177.10 174.68 2ee9 s SER 93 N -3.75 6.20 -0.50 3.54 1.04 -1.26 -4.83 113.70 114.14 2ee9 s SER 93 Ca 0.36 -0.79 0.03 0.00 0.48 0.00 0.00 55.95 56.02 2ee9 s SER 93 Cb -0.10 -2.44 0.13 0.00 0.10 0.00 0.00 66.02 63.71 2ee9 s SER 93 CO 0.30 -1.45 0.24 -0.83 0.98 0.00 0.00 173.24 172.48 2ee9 s GLY 94 N 3.52 2.35 0.00 7.32 0.00 -1.26 -5.20 107.32 114.05 2ee9 s GLY 94 Ca 0.25 -3.12 0.29 0.00 0.00 0.00 0.00 44.72 42.15 2ee9 s GLY 94 CO 0.13 1.01 1.90 -1.14 0.00 0.00 0.00 173.10 174.99