#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 6.09 -0.29 1.61 0.15 -1.26 -5.00 113.70 115.00 2ee9 s SER 2 Ca 0.00 -1.76 -0.18 0.00 0.70 0.00 0.00 55.95 54.71 2ee9 s SER 2 Cb 0.00 -2.17 0.14 0.00 -1.71 0.00 0.00 66.02 62.28 2ee9 s SER 2 CO 0.00 -0.80 0.99 -0.94 1.20 0.00 0.00 173.24 173.69 2ee9 s SER 3 N 3.30 -0.50 0.00 5.45 1.04 -1.26 -5.17 113.70 116.56 2ee9 s SER 3 Ca 0.04 0.83 0.00 0.00 0.48 0.00 0.00 55.95 57.30 2ee9 s SER 3 Cb -0.29 1.12 0.00 0.00 0.10 0.00 0.00 66.02 66.95 2ee9 s SER 3 CO 0.03 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.72 2ee9 n GLY 4 N 3.34 4.59 3.90 7.32 0.00 -1.26 -5.16 105.19 117.91 2ee9 n GLY 4 Ca -0.17 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 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 1.49 6.51 -0.50 1.61 1.04 -1.26 -5.05 113.70 117.54 2ee9 s SER 5 Ca 0.00 0.72 -0.19 0.00 0.48 0.00 0.00 55.95 56.96 2ee9 s SER 5 Cb 0.00 -2.14 0.06 0.00 0.10 0.00 0.00 66.02 64.03 2ee9 s SER 5 CO 0.00 -0.08 0.60 -0.55 0.98 0.00 0.00 173.24 174.18 2ee9 s SER 6 N -2.73 6.22 0.31 7.02 0.15 -1.26 -4.98 113.70 118.42 2ee9 s SER 6 Ca 0.44 -0.92 0.00 0.00 0.70 0.00 0.00 55.95 56.17 2ee9 s SER 6 Cb -0.11 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2ee9 s SER 6 CO 0.26 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.46 2ee9 n GLY 7 N 5.17 1.15 3.92 9.45 0.00 -1.26 -4.63 105.19 118.99 2ee9 n GLY 7 Ca -0.07 -0.51 -0.28 0.00 0.00 0.00 0.00 46.02 45.16 2ee9 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ee9 s VAL 8 N 0.00 5.18 -0.32 1.61 0.11 -1.26 -5.03 120.40 120.69 2ee9 s VAL 8 Ca 0.00 -0.24 0.07 0.00 -2.93 0.00 0.00 61.98 58.88 2ee9 s VAL 8 Cb 0.00 -3.71 0.45 0.00 -1.53 0.00 0.00 36.38 31.59 2ee9 s VAL 8 CO 0.00 -0.15 1.17 -1.20 -3.33 0.00 0.00 175.10 171.59 2ee9 n SER 9 N -0.55 4.84 -3.63 3.54 7.64 -1.26 -5.00 113.62 119.20 2ee9 n SER 9 Ca -0.04 -3.72 -0.13 0.00 1.01 0.00 0.00 58.87 55.99 2ee9 n SER 9 Cb 0.53 -0.37 -0.07 0.00 -1.01 0.00 0.00 64.21 63.30 2ee9 n SER 9 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2ee9 s ASP 10 N -3.59 -0.78 -0.15 6.43 1.11 -1.26 -5.03 116.67 113.41 2ee9 s ASP 10 Ca 0.50 1.46 0.02 0.00 0.18 0.00 0.00 52.55 54.71 2ee9 s ASP 10 Cb 0.41 1.45 -0.10 0.00 1.07 0.00 0.00 42.92 45.75 2ee9 s ASP 10 CO -0.01 -0.25 -0.12 0.23 1.18 0.00 0.00 175.17 176.21 2ee9 n MET 11 N 2.94 0.54 -0.11 8.23 2.81 -1.26 -4.56 117.12 125.72 2ee9 n MET 11 Ca -0.15 0.08 -0.23 0.00 -1.81 0.00 0.00 57.70 55.59 2ee9 n MET 11 Cb 0.56 -1.30 -0.08 0.00 -0.71 0.00 0.00 33.22 31.69 2ee9 n MET 11 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 2ee9 n ASN 12 N -2.89 1.59 -0.25 7.83 0.23 -1.26 -4.31 115.26 116.20 2ee9 n ASN 12 Ca -0.26 0.28 0.06 0.00 -0.53 0.00 0.00 54.58 54.12 2ee9 n ASN 12 Cb 0.79 -0.66 0.19 0.00 -2.08 0.00 0.00 39.78 38.02 2ee9 n ASN 12 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2ee9 h GLY 13 N -0.81 1.10 -6.61 4.83 0.00 -1.97 -3.38 103.07 96.23 2ee9 h GLY 13 Ca -0.54 -0.09 -0.29 0.00 0.00 0.00 0.00 47.33 46.41 2ee9 h GLY 13 CO -0.33 -0.16 -0.60 1.08 0.00 0.00 0.00 176.54 176.53 2ee9 s LEU 14 N -10.52 -0.26 0.00 3.11 1.02 -1.26 -5.12 118.68 105.65 2ee9 s LEU 14 Ca -0.13 -0.34 0.00 0.00 0.02 0.00 0.00 54.13 53.68 2ee9 s LEU 14 Cb 0.21 0.58 0.00 0.00 0.02 0.00 0.00 46.19 47.00 2ee9 s LEU 14 CO 0.76 -0.35 0.00 0.61 0.02 0.00 0.00 176.35 177.39 2ee9 n GLY 15 N 5.32 1.24 3.80 -3.19 0.00 -1.26 -4.31 105.19 106.79 2ee9 n GLY 15 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 2ee9 n GLY 15 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ee9 s PHE 16 N 3.06 2.81 0.33 1.61 0.40 -1.25 -4.93 117.98 120.00 2ee9 s PHE 16 Ca 0.00 1.16 -0.28 0.00 -0.60 0.00 0.00 56.93 57.20 2ee9 s PHE 16 Cb 0.00 -3.12 -0.10 0.00 0.51 0.00 0.00 43.02 40.31 2ee9 s PHE 16 CO 0.00 -1.80 1.26 0.21 0.70 0.00 0.00 175.22 175.59 2ee9 s LYS 17 N -5.15 4.36 0.61 0.44 2.20 -1.26 -4.74 119.74 116.20 2ee9 s LYS 17 Ca 0.61 2.11 -0.17 0.00 -0.36 0.00 0.00 55.97 58.16 2ee9 s LYS 17 Cb -0.15 -3.04 -0.03 0.00 -1.51 0.00 0.00 37.83 33.11 2ee9 s LYS 17 CO 0.54 -0.14 1.12 -1.25 -0.36 0.00 0.00 175.35 175.26 2ee9 s PRO 18 N -1.80 3.05 -0.43 4.03 0.04 -1.26 -4.46 135.00 134.16 2ee9 s PRO 18 Ca 0.49 1.49 -0.02 0.00 0.04 0.00 0.00 61.00 63.01 2ee9 s PRO 18 Cb -0.38 -1.97 0.12 0.00 0.04 0.00 0.00 34.50 32.31 2ee9 s PRO 18 CO 0.49 -1.07 0.22 0.12 0.04 0.00 0.00 177.00 176.80 2ee9 s PHE 19 N -2.08 3.57 -0.14 0.56 5.36 -0.28 -4.99 117.98 119.98 2ee9 s PHE 19 Ca 0.70 -2.55 -0.20 0.00 -0.96 0.00 0.00 56.93 53.92 2ee9 s PHE 19 Cb -0.22 -3.18 -0.04 0.00 -0.34 0.00 0.00 43.02 39.25 2ee9 s PHE 19 CO 0.35 -0.95 0.56 0.16 -1.46 0.00 0.00 175.22 173.88 2ee9 s ASP 20 N 1.49 6.73 0.02 6.13 1.47 -1.26 -2.26 116.67 128.98 2ee9 s ASP 20 Ca 0.10 0.87 0.03 0.00 1.18 0.00 0.00 52.55 54.73 2ee9 s ASP 20 Cb -0.22 -2.33 -0.01 0.00 -0.34 0.00 0.00 42.92 40.02 2ee9 s ASP 20 CO -0.04 -0.11 -0.09 -0.22 0.68 0.00 0.00 175.17 175.38 2ee9 s LEU 21 N 1.09 2.12 -0.11 2.11 0.20 -0.66 -4.97 118.68 118.45 2ee9 s LEU 21 Ca 0.29 -0.32 0.01 0.00 0.69 0.00 0.00 54.13 54.79 2ee9 s LEU 21 Cb -0.16 -0.39 0.02 0.00 -0.43 0.00 0.00 46.19 45.23 2ee9 s LEU 21 CO 0.12 0.00 -0.13 0.54 -0.29 0.00 0.00 176.35 176.59 2ee9 s VAL 22 N -0.65 1.37 0.24 1.68 0.11 -1.26 0.16 120.40 122.05 2ee9 s VAL 22 Ca -0.01 -0.55 -0.30 0.00 -2.93 0.00 0.00 61.98 58.19 2ee9 s VAL 22 Cb -0.06 -1.28 -0.10 0.00 -1.53 0.00 0.00 36.38 33.40 2ee9 s VAL 22 CO 0.00 0.42 1.51 -0.63 -3.33 0.00 0.00 175.10 173.07 2ee9 s ILE 23 N 1.18 2.49 -0.01 7.04 1.01 -1.04 -4.94 121.20 126.93 2ee9 s ILE 23 Ca -0.03 0.40 -0.25 0.00 0.00 0.00 0.00 60.65 60.77 2ee9 s ILE 23 Cb -0.14 -3.25 -0.19 0.00 0.01 0.00 0.00 42.46 38.89 2ee9 s ILE 23 CO -0.04 0.06 1.28 1.55 0.00 0.00 0.00 174.94 177.79 2ee9 h PRO 24 N 5.39 0.08 -7.50 2.79 0.13 -2.00 -3.44 132.00 127.46 2ee9 h PRO 24 Ca -0.45 -0.04 -0.49 0.00 -0.87 0.00 0.00 66.00 64.15 2ee9 h PRO 24 Cb 1.21 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.43 2ee9 h PRO 24 CO 0.81 0.54 0.41 -0.59 -0.23 0.00 0.00 178.00 178.95 2ee9 s PHE 25 N -4.27 3.27 0.26 1.56 -0.71 -1.26 -5.05 117.98 111.78 2ee9 s PHE 25 Ca -0.16 1.00 -0.21 0.00 -1.04 0.00 0.00 56.93 56.53 2ee9 s PHE 25 Cb 0.02 -3.14 -0.09 0.00 -1.21 0.00 0.00 43.02 38.61 2ee9 s PHE 25 CO 0.69 -1.27 0.79 0.00 -1.34 0.00 0.00 175.22 174.09 2ee9 s ALA 26 N -3.39 3.35 0.02 1.99 0.00 -1.26 -4.87 121.76 117.59 2ee9 s ALA 26 Ca 0.59 0.25 -0.28 0.00 0.00 0.00 0.00 51.96 52.52 2ee9 s ALA 26 Cb -0.11 -2.92 0.10 0.00 0.00 0.00 0.00 23.12 20.19 2ee9 s ALA 26 CO 0.51 0.28 0.87 0.54 0.00 0.00 0.00 175.76 177.96 2ee9 s VAL 27 N -1.59 0.00 0.16 0.00 0.11 -1.26 -5.13 120.40 112.68 2ee9 s VAL 27 Ca 0.46 -0.06 0.10 0.00 -2.93 0.00 0.00 61.98 59.55 2ee9 s VAL 27 Cb -0.17 -1.08 -0.04 0.00 -1.53 0.00 0.00 36.38 33.56 2ee9 s VAL 27 CO 0.21 0.00 -0.18 -0.13 -3.33 0.00 0.00 175.10 171.67 2ee9 s ARG 28 N -3.19 1.76 -0.04 1.54 0.52 -1.26 -4.73 118.95 113.54 2ee9 s ARG 28 Ca 0.05 -1.32 -0.05 0.00 -0.52 0.00 0.00 55.73 53.89 2ee9 s ARG 28 Cb -0.01 -2.03 -0.22 0.00 0.52 0.00 0.00 34.95 33.20 2ee9 s ARG 28 CO -0.08 0.44 3.13 0.36 0.02 0.00 0.00 175.30 179.16 2ee9 n LYS 29 N 0.43 1.73 0.00 3.54 2.85 -1.26 -4.51 118.16 120.93 2ee9 n LYS 29 Ca -0.13 -0.87 0.00 0.00 -1.05 0.00 0.00 58.31 56.25 2ee9 n LYS 29 Cb 0.54 -1.94 0.00 0.00 -0.65 0.00 0.00 35.03 32.98 2ee9 n LYS 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2ee9 n GLY 30 N 2.61 0.04 1.55 2.58 0.00 -1.26 -4.76 105.19 105.94 2ee9 n GLY 30 Ca 0.37 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 1.46 -4.05 1.61 -0.58 -1.26 -4.88 120.64 112.94 2ee9 n GLU 31 Ca 0.00 -1.01 -0.29 0.00 -0.42 0.00 0.00 57.16 55.44 2ee9 n GLU 31 Cb 0.00 -1.40 -0.06 0.00 -0.57 0.00 0.00 31.44 29.41 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 -1.26 4.55 0.23 -3.67 2.07 -1.26 -1.08 121.20 120.77 2ee9 s ILE 32 Ca 0.19 -0.84 -0.10 0.00 -1.41 0.00 0.00 60.65 58.50 2ee9 s ILE 32 Cb 0.16 -3.23 -0.01 0.00 0.13 0.00 0.00 42.46 39.51 2ee9 s ILE 32 CO 0.02 0.06 0.38 0.42 -1.91 0.00 0.00 174.94 173.91 2ee9 s THR 33 N -1.49 0.00 -0.03 4.00 -4.23 -1.00 -5.00 115.64 107.90 2ee9 s THR 33 Ca 0.30 -1.54 -0.20 0.00 -1.18 0.00 0.00 61.69 59.07 2ee9 s THR 33 Cb -0.12 -2.24 0.04 0.00 1.34 0.00 0.00 72.50 71.52 2ee9 s THR 33 CO 0.23 -0.02 0.42 -0.83 -0.54 0.00 0.00 174.62 173.87 2ee9 s GLY 34 N -3.05 -0.28 0.05 3.99 0.00 -1.26 -2.61 107.32 104.16 2ee9 s GLY 34 Ca 0.26 0.64 -0.02 0.00 0.00 0.00 0.00 44.72 45.59 2ee9 s GLY 34 CO 0.09 0.39 0.01 1.85 0.00 0.00 0.00 173.10 175.44 2ee9 s GLU 35 N -1.25 0.57 -0.19 2.90 2.12 -0.57 -4.21 118.70 118.07 2ee9 s GLU 35 Ca -0.13 -1.00 -0.03 0.00 0.36 0.00 0.00 54.97 54.18 2ee9 s GLU 35 Cb -0.04 0.21 0.06 0.00 0.26 0.00 0.00 34.13 34.62 2ee9 s GLU 35 CO 0.06 -0.12 0.04 0.08 -0.54 0.00 0.00 175.26 174.78 2ee9 s VAL 36 N -3.21 0.46 -0.22 3.70 1.01 0.54 -0.79 120.40 121.89 2ee9 s VAL 36 Ca 0.00 -0.50 -0.22 0.00 0.00 0.00 0.00 61.98 61.26 2ee9 s VAL 36 Cb 0.03 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 2ee9 s VAL 36 CO -0.07 -0.20 0.70 -1.00 0.00 0.00 0.00 175.10 174.52 2ee9 s HIS 37 N 1.89 3.34 0.30 5.22 3.76 -0.17 -0.70 115.29 128.93 2ee9 s HIS 37 Ca -0.00 0.98 -0.12 0.00 -0.15 0.00 0.00 55.06 55.77 2ee9 s HIS 37 Cb -0.17 -2.89 -0.08 0.00 1.11 0.00 0.00 32.58 30.55 2ee9 s HIS 37 CO -0.08 -0.27 0.67 -1.64 -0.85 0.00 0.00 174.74 172.57 2ee9 s MET 38 N 2.30 3.89 0.34 1.40 -1.94 0.36 -2.10 119.30 123.55 2ee9 s MET 38 Ca 0.31 0.48 0.13 0.00 -1.71 0.00 0.00 55.69 54.90 2ee9 s MET 38 Cb -0.16 -2.51 0.59 0.00 2.01 0.00 0.00 34.83 34.77 2ee9 s MET 38 CO 0.09 0.19 1.74 -1.00 -0.01 0.00 0.00 175.02 176.03 2ee9 h PRO 39 N 2.21 0.00 0.00 2.03 0.13 -1.86 -2.80 132.00 131.71 2ee9 h PRO 39 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 2ee9 h PRO 39 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2ee9 h PRO 39 CO 0.66 0.46 -0.11 0.77 -0.23 0.00 0.00 178.00 179.56 2ee9 h SER 40 N 0.00 0.00 0.00 1.44 0.02 -1.94 -3.46 113.55 109.61 2ee9 h SER 40 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2ee9 h SER 40 Cb 0.85 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.39 2ee9 h SER 40 CO 0.06 0.11 0.00 0.61 -1.14 0.00 0.00 176.83 176.47 2ee9 n GLY 41 N -0.17 1.83 3.85 -3.77 0.00 -1.05 -5.14 105.19 100.73 2ee9 n GLY 41 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2ee9 n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ee9 s LYS 42 N -0.03 2.24 0.07 1.61 1.02 -1.25 -4.96 119.74 118.44 2ee9 s LYS 42 Ca 0.00 -2.11 0.01 0.00 0.02 0.00 0.00 55.97 53.88 2ee9 s LYS 42 Cb 0.00 -1.92 -0.04 0.00 -0.52 0.00 0.00 37.83 35.35 2ee9 s LYS 42 CO 0.00 -0.49 -0.05 0.95 -0.92 0.00 0.00 175.35 174.83 2ee9 s THR 43 N -2.79 0.46 -0.09 2.17 -4.23 -1.26 -0.49 115.64 109.42 2ee9 s THR 43 Ca 0.26 -1.66 -0.30 0.00 -1.18 0.00 0.00 61.69 58.81 2ee9 s THR 43 Cb -0.01 -1.32 0.08 0.00 1.34 0.00 0.00 72.50 72.60 2ee9 s THR 43 CO 0.16 -0.80 0.75 0.00 -0.54 0.00 0.00 174.62 174.19 2ee9 s ALA 44 N -3.14 -1.81 -0.10 3.99 0.00 0.12 -4.95 121.76 115.88 2ee9 s ALA 44 Ca 0.04 1.43 -0.10 0.00 0.00 0.00 0.00 51.96 53.33 2ee9 s ALA 44 Cb 0.02 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 2ee9 s ALA 44 CO -0.05 -0.35 0.24 0.95 0.00 0.00 0.00 175.76 176.54 2ee9 s THR 45 N -1.04 5.34 0.53 0.00 -4.23 -1.26 0.20 115.64 115.18 2ee9 s THR 45 Ca -0.08 0.43 -0.09 0.00 -1.18 0.00 0.00 61.69 60.77 2ee9 s THR 45 Cb -0.01 -3.52 0.13 0.00 1.34 0.00 0.00 72.50 70.44 2ee9 s THR 45 CO 0.07 0.56 0.47 -0.81 -0.54 0.00 0.00 174.62 174.37 2ee9 n PRO 46 N 2.28 -1.93 -3.73 3.99 -0.04 -1.26 -4.93 135.00 129.38 2ee9 n PRO 46 Ca -0.17 -0.75 -0.38 0.00 -0.04 0.00 0.00 63.50 62.17 2ee9 n PRO 46 Cb 0.54 -0.70 -0.12 0.00 -0.04 0.00 0.00 33.50 33.18 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 -4.06 2.40 -0.59 0.54 2.12 0.41 -4.97 118.70 114.55 2ee9 s GLU 47 Ca 0.30 -1.48 -0.22 0.00 0.36 0.00 0.00 54.97 53.94 2ee9 s GLU 47 Cb -0.03 -3.56 0.06 0.00 0.26 0.00 0.00 34.13 30.87 2ee9 s GLU 47 CO 0.23 -0.88 0.85 0.42 -0.54 0.00 0.00 175.26 175.34 2ee9 s ILE 48 N 1.31 4.53 -0.04 -3.70 1.01 -1.26 -2.42 121.20 120.63 2ee9 s ILE 48 Ca 0.02 -0.32 0.07 0.00 0.00 0.00 0.00 60.65 60.43 2ee9 s ILE 48 Cb -0.22 -4.53 -0.02 0.00 0.01 0.00 0.00 42.46 37.70 2ee9 s ILE 48 CO -0.00 -1.18 -0.25 -0.69 0.00 0.00 0.00 174.94 172.82 2ee9 s VAL 49 N 3.52 2.04 -0.41 2.92 1.01 -1.10 -4.99 120.40 123.40 2ee9 s VAL 49 Ca 0.21 -1.09 -0.08 0.00 0.00 0.00 0.00 61.98 61.02 2ee9 s VAL 49 Cb -0.17 -1.71 0.08 0.00 0.00 0.00 0.00 36.38 34.57 2ee9 s VAL 49 CO 0.12 0.57 0.24 -0.62 0.00 0.00 0.00 175.10 175.42 2ee9 s ASP 50 N -0.41 5.58 0.90 3.32 2.15 -1.26 -0.63 116.67 126.32 2ee9 s ASP 50 Ca 0.04 -1.50 -0.13 0.00 0.43 0.00 0.00 52.55 51.39 2ee9 s ASP 50 Cb -0.12 -1.96 0.03 0.00 -0.30 0.00 0.00 42.92 40.57 2ee9 s ASP 50 CO 0.01 -0.52 0.54 0.59 -0.17 0.00 0.00 175.17 175.62 2ee9 n ASN 51 N 4.89 -1.54 -0.11 -0.34 3.02 0.04 -4.83 115.26 116.39 2ee9 n ASN 51 Ca -0.10 0.40 0.00 0.00 -0.03 0.00 0.00 54.58 54.85 2ee9 n ASN 51 Cb 0.43 -1.25 0.00 0.00 -0.61 0.00 0.00 39.78 38.35 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 -1.83 0.99 -0.11 3.52 4.76 -1.26 -3.27 118.16 120.96 2ee9 n LYS 52 Ca 0.08 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.38 2ee9 n LYS 52 Cb 0.53 -1.10 -0.11 0.00 -1.84 0.00 0.00 35.03 32.51 2ee9 n LYS 52 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2ee9 n ASP 53 N -0.39 2.11 0.00 4.39 -0.08 -1.26 -5.02 116.55 116.30 2ee9 n ASP 53 Ca 0.00 -0.11 0.00 0.00 -1.51 0.00 0.00 54.79 53.17 2ee9 n ASP 53 Cb 0.05 -0.20 0.00 0.00 2.34 0.00 0.00 41.12 43.31 2ee9 n ASP 53 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ee9 n GLY 54 N 2.39 0.54 3.25 0.27 0.00 -1.20 -5.17 105.19 105.27 2ee9 n GLY 54 Ca -0.38 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.69 0.00 0.13 2.61 -4.23 -1.26 -4.83 115.64 107.37 2ee9 s THR 55 Ca 0.00 -1.95 0.10 0.00 -1.18 0.00 0.00 61.69 58.66 2ee9 s THR 55 Cb 0.00 -2.49 -0.04 0.00 1.34 0.00 0.00 72.50 71.31 2ee9 s THR 55 CO 0.00 0.00 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.15 2ee9 s VAL 56 N -3.97 2.47 -0.12 2.29 1.01 -1.26 -0.78 120.40 120.04 2ee9 s VAL 56 Ca 0.38 -1.69 -0.02 0.00 0.00 0.00 0.00 61.98 60.65 2ee9 s VAL 56 Cb 0.05 -2.12 0.04 0.00 0.00 0.00 0.00 36.38 34.36 2ee9 s VAL 56 CO 0.15 0.08 0.00 -0.89 0.00 0.00 0.00 175.10 174.44 2ee9 s THR 57 N -1.13 0.53 -0.64 3.92 2.01 0.20 -2.48 115.64 118.05 2ee9 s THR 57 Ca 0.16 -0.19 -0.18 0.00 0.31 0.00 0.00 61.69 61.79 2ee9 s THR 57 Cb -0.10 -0.79 0.12 0.00 0.01 0.00 0.00 72.50 71.74 2ee9 s THR 57 CO 0.08 0.11 0.71 -0.69 -0.69 0.00 0.00 174.62 174.14 2ee9 s VAL 58 N 1.89 4.97 0.06 3.82 1.01 0.43 -2.70 120.40 129.88 2ee9 s VAL 58 Ca 0.03 -1.30 0.06 0.00 0.00 0.00 0.00 61.98 60.77 2ee9 s VAL 58 Cb -0.14 -4.49 -0.04 0.00 0.00 0.00 0.00 36.38 31.72 2ee9 s VAL 58 CO -0.07 -1.10 -0.10 -0.60 0.00 0.00 0.00 175.10 173.23 2ee9 s ARG 59 N 2.21 2.27 0.05 2.72 3.00 -1.02 -1.65 118.95 126.53 2ee9 s ARG 59 Ca 0.12 -0.92 -0.16 0.00 -1.00 0.00 0.00 55.73 53.77 2ee9 s ARG 59 Cb -0.22 -2.36 0.03 0.00 0.00 0.00 0.00 34.95 32.40 2ee9 s ARG 59 CO 0.03 0.54 0.37 -0.47 0.00 0.00 0.00 175.30 175.77 2ee9 s TYR 60 N -1.11 -0.20 -0.32 5.12 5.04 -0.96 -0.45 117.35 124.47 2ee9 s TYR 60 Ca 0.19 0.12 -0.06 0.00 -2.44 0.00 0.00 57.07 54.89 2ee9 s TYR 60 Cb -0.11 0.17 0.03 0.00 0.35 0.00 0.00 41.96 42.41 2ee9 s TYR 60 CO 0.11 -0.55 0.08 0.00 -1.34 0.00 0.00 175.55 173.85 2ee9 s ALA 61 N -2.53 3.00 0.06 3.97 0.00 -1.26 -1.13 121.76 123.87 2ee9 s ALA 61 Ca -0.05 -1.68 -0.31 0.00 0.00 0.00 0.00 51.96 49.92 2ee9 s ALA 61 Cb -0.01 -2.17 -0.07 0.00 0.00 0.00 0.00 23.12 20.87 2ee9 s ALA 61 CO -0.03 -1.23 1.40 -1.25 0.00 0.00 0.00 175.76 174.65 2ee9 s PRO 62 N 1.39 4.30 -0.19 0.00 0.04 -1.26 -4.93 135.00 134.36 2ee9 s PRO 62 Ca -0.01 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 63.04 2ee9 s PRO 62 Cb -0.19 -3.41 -0.22 0.00 0.04 0.00 0.00 34.50 30.73 2ee9 s PRO 62 CO 0.02 -0.50 0.08 2.41 0.04 0.00 0.00 177.00 179.05 2ee9 n THR 63 N 4.28 1.63 -4.35 1.26 -1.04 -1.26 -3.89 114.28 110.91 2ee9 n THR 63 Ca 0.12 -0.62 -0.25 0.00 -2.04 0.00 0.00 64.05 61.26 2ee9 n THR 63 Cb 0.43 -1.53 -0.09 0.00 -1.82 0.00 0.00 70.33 67.32 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 -2.54 2.07 0.30 -2.82 2.02 -1.26 -4.85 118.70 111.62 2ee9 s GLU 64 Ca -0.28 -1.83 -0.01 0.00 0.02 0.00 0.00 54.97 52.88 2ee9 s GLU 64 Cb 0.08 -1.89 -0.04 0.00 0.10 0.00 0.00 34.13 32.38 2ee9 s GLU 64 CO 0.69 0.06 0.51 0.14 0.02 0.00 0.00 175.26 176.68 2ee9 s VAL 65 N -2.56 5.11 -3.39 2.63 -7.23 -1.26 -4.88 120.40 108.82 2ee9 s VAL 65 Ca 0.36 -0.35 0.00 0.00 -1.81 0.00 0.00 61.98 60.18 2ee9 s VAL 65 Cb 0.02 -3.81 0.00 0.00 0.56 0.00 0.00 36.38 33.15 2ee9 s VAL 65 CO 0.20 -0.42 0.00 0.61 -0.31 0.00 0.00 175.10 175.18 2ee9 n GLY 66 N -1.35 0.82 3.30 2.32 0.00 -1.24 -4.85 105.19 104.19 2ee9 n GLY 66 Ca -0.04 -1.99 -0.39 0.00 0.00 0.00 0.00 46.02 43.59 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 4.63 -0.12 0.99 2.96 -1.26 -1.71 118.68 124.16 2ee9 s LEU 67 Ca 0.00 -1.19 -0.11 0.00 -0.22 0.00 0.00 54.13 52.61 2ee9 s LEU 67 Cb 0.00 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.71 2ee9 s LEU 67 CO 0.00 -0.39 0.23 -1.00 -1.32 0.00 0.00 176.35 173.87 2ee9 s HIS 68 N 1.44 3.55 -0.24 5.38 3.76 -1.18 -4.13 115.29 123.87 2ee9 s HIS 68 Ca 0.00 0.60 -0.04 0.00 -0.15 0.00 0.00 55.06 55.47 2ee9 s HIS 68 Cb -0.20 -2.16 -0.00 0.00 1.11 0.00 0.00 32.58 31.32 2ee9 s HIS 68 CO 0.04 0.49 -0.02 -2.00 -0.85 0.00 0.00 174.74 172.39 2ee9 s GLU 69 N -0.34 3.26 0.20 1.40 2.12 -0.89 -1.99 118.70 122.45 2ee9 s GLU 69 Ca 0.16 -0.71 -0.12 0.00 0.36 0.00 0.00 54.97 54.67 2ee9 s GLU 69 Cb -0.13 -3.07 -0.07 0.00 0.26 0.00 0.00 34.13 31.12 2ee9 s GLU 69 CO 0.05 -0.26 0.56 1.41 -0.54 0.00 0.00 175.26 176.47 2ee9 s MET 70 N 1.46 3.88 -0.28 4.30 -2.45 -0.34 -1.00 119.30 124.87 2ee9 s MET 70 Ca 0.04 0.37 -0.02 0.00 -1.25 0.00 0.00 55.69 54.84 2ee9 s MET 70 Cb -0.15 -2.75 0.09 0.00 1.25 0.00 0.00 34.83 33.27 2ee9 s MET 70 CO -0.02 0.38 0.09 -1.01 1.05 0.00 0.00 175.02 175.50 2ee9 s HIS 71 N -1.68 1.40 -0.10 4.11 3.76 0.03 -2.62 115.29 120.19 2ee9 s HIS 71 Ca 0.44 -1.44 -0.01 0.00 -0.15 0.00 0.00 55.06 53.90 2ee9 s HIS 71 Cb -0.13 -1.46 -0.03 0.00 1.11 0.00 0.00 32.58 32.07 2ee9 s HIS 71 CO 0.20 -0.81 -0.06 0.42 -0.85 0.00 0.00 174.74 173.64 2ee9 s ILE 72 N 1.72 3.75 -0.05 0.60 1.01 -1.26 -1.51 121.20 125.46 2ee9 s ILE 72 Ca 0.07 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 2ee9 s ILE 72 Cb -0.17 -2.57 0.03 0.00 0.01 0.00 0.00 42.46 39.76 2ee9 s ILE 72 CO -0.23 0.57 0.02 -0.54 0.00 0.00 0.00 174.94 174.76 2ee9 s LYS 73 N -0.42 0.25 -0.21 2.79 1.02 -1.07 -3.55 119.74 118.54 2ee9 s LYS 73 Ca 0.06 0.20 -0.09 0.00 0.02 0.00 0.00 55.97 56.16 2ee9 s LYS 73 Cb -0.12 -0.64 -0.05 0.00 -0.52 0.00 0.00 37.83 36.50 2ee9 s LYS 73 CO 0.02 -0.26 0.12 -0.47 -0.92 0.00 0.00 175.35 173.84 2ee9 s TYR 74 N 1.75 3.34 -1.68 3.18 5.04 0.69 -2.37 117.35 127.29 2ee9 s TYR 74 Ca 0.00 0.22 -0.16 0.00 -2.44 0.00 0.00 57.07 54.69 2ee9 s TYR 74 Cb -0.13 -2.18 0.14 0.00 0.35 0.00 0.00 41.96 40.15 2ee9 s TYR 74 CO -0.03 0.17 0.70 -1.33 -1.34 0.00 0.00 175.55 173.72 2ee9 n MET 75 N 3.80 -2.88 -2.19 4.97 2.81 -0.24 0.83 117.12 124.23 2ee9 n MET 75 Ca -0.16 0.34 -0.12 0.00 -1.81 0.00 0.00 57.70 55.96 2ee9 n MET 75 Cb 0.52 -4.94 -0.01 0.00 -0.71 0.00 0.00 33.22 28.08 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 -1.48 -0.06 2.70 3.03 0.00 -1.26 -5.01 105.19 103.11 2ee9 n GLY 76 Ca 0.02 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.43 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 1.19 0.47 1.61 0.01 0.24 -5.12 113.70 109.61 2ee9 s SER 77 Ca 0.00 0.03 -0.24 0.00 1.31 0.00 0.00 55.95 57.05 2ee9 s SER 77 Cb 0.00 -0.22 -0.07 0.00 0.21 0.00 0.00 66.02 65.94 2ee9 s SER 77 CO 0.00 -0.23 1.36 -1.00 0.41 0.00 0.00 173.24 173.79 2ee9 s HIS 78 N 2.04 2.50 0.30 2.43 3.76 -1.26 -0.22 115.29 124.84 2ee9 s HIS 78 Ca 0.04 1.34 -0.08 0.00 -0.15 0.00 0.00 55.06 56.22 2ee9 s HIS 78 Cb -0.12 -3.80 -0.06 0.00 1.11 0.00 0.00 32.58 29.71 2ee9 s HIS 78 CO -0.04 -2.67 0.61 0.96 -0.85 0.00 0.00 174.74 172.75 2ee9 s ILE 79 N -1.27 4.94 -2.00 0.60 -4.36 -1.23 -4.86 121.20 113.02 2ee9 s ILE 79 Ca 0.64 0.31 0.11 0.00 -0.26 0.00 0.00 60.65 61.44 2ee9 s ILE 79 Cb -0.41 -3.70 0.30 0.00 1.25 0.00 0.00 42.46 39.90 2ee9 s ILE 79 CO 0.51 -0.31 1.07 -0.81 0.24 0.00 0.00 174.94 175.64 2ee9 n PRO 80 N -0.83 0.49 0.00 0.37 -0.04 -1.26 -1.75 135.00 131.97 2ee9 n PRO 80 Ca -0.00 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.52 2ee9 n PRO 80 Cb 0.54 -1.34 -0.03 0.00 -0.04 0.00 0.00 33.50 32.62 2ee9 n PRO 80 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2ee9 n GLU 81 N -0.84 2.59 -4.20 0.54 -0.58 -1.26 -5.01 120.64 111.87 2ee9 n GLU 81 Ca 0.08 -0.34 -0.12 0.00 -0.42 0.00 0.00 57.16 56.36 2ee9 n GLU 81 Cb 0.04 -1.09 -0.10 0.00 -0.57 0.00 0.00 31.44 29.71 2ee9 n GLU 81 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2ee9 s SER 82 N -1.81 1.28 0.74 1.62 0.01 -0.72 -4.23 113.70 110.59 2ee9 s SER 82 Ca 0.07 -1.05 -0.12 0.00 1.31 0.00 0.00 55.95 56.16 2ee9 s SER 82 Cb 0.09 0.08 0.04 0.00 0.21 0.00 0.00 66.02 66.44 2ee9 s SER 82 CO 0.39 -0.47 1.10 -2.16 0.41 0.00 0.00 173.24 172.50 2ee9 s PRO 83 N -3.84 2.41 0.18 12.44 0.04 -1.26 -4.48 135.00 140.48 2ee9 s PRO 83 Ca 0.16 1.23 0.04 0.00 0.04 0.00 0.00 61.00 62.47 2ee9 s PRO 83 Cb 0.05 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.63 2ee9 s PRO 83 CO -0.01 -1.53 -0.06 -0.48 0.04 0.00 0.00 177.00 174.96 2ee9 s LEU 84 N -5.62 2.37 -0.05 -3.56 0.05 -1.08 -4.97 118.68 105.82 2ee9 s LEU 84 Ca 0.63 -1.10 0.02 0.00 0.05 0.00 0.00 54.13 53.73 2ee9 s LEU 84 Cb -0.18 -0.28 0.01 0.00 -2.05 0.00 0.00 46.19 43.69 2ee9 s LEU 84 CO 0.52 -0.42 -0.10 0.00 -0.55 0.00 0.00 176.35 175.79 2ee9 s GLN 85 N -3.81 1.35 -0.11 1.48 -2.07 -1.26 -1.19 119.66 114.04 2ee9 s GLN 85 Ca 0.21 -0.35 -0.02 0.00 -1.82 0.00 0.00 55.36 53.39 2ee9 s GLN 85 Cb 0.04 -1.18 0.04 0.00 -1.09 0.00 0.00 33.01 30.82 2ee9 s GLN 85 CO 0.03 0.06 0.00 -0.59 -1.32 0.00 0.00 175.29 173.47 2ee9 s PHE 86 N 0.51 0.87 0.27 9.60 -0.71 -0.84 -4.98 117.98 122.69 2ee9 s PHE 86 Ca -0.10 -0.43 -0.29 0.00 -1.04 0.00 0.00 56.93 55.07 2ee9 s PHE 86 Cb -0.13 -0.92 -0.09 0.00 -1.21 0.00 0.00 43.02 40.67 2ee9 s PHE 86 CO 0.02 -0.43 1.03 -0.47 -1.34 0.00 0.00 175.22 174.03 2ee9 s TYR 87 N 1.91 3.73 -0.26 3.49 5.04 -1.26 -3.13 117.35 126.87 2ee9 s TYR 87 Ca 0.03 1.79 -0.05 0.00 -2.44 0.00 0.00 57.07 56.40 2ee9 s TYR 87 Cb -0.14 -3.15 -0.00 0.00 0.35 0.00 0.00 41.96 39.02 2ee9 s TYR 87 CO -0.06 -0.14 0.02 0.08 -1.34 0.00 0.00 175.55 174.11 2ee9 s VAL 88 N -1.21 3.68 0.11 3.14 1.01 -0.69 -4.99 120.40 121.46 2ee9 s VAL 88 Ca 0.44 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.88 2ee9 s VAL 88 Cb -0.29 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 2ee9 s VAL 88 CO 0.36 0.26 0.09 0.20 0.00 0.00 0.00 175.10 176.01 2ee9 s ASN 89 N 1.49 5.45 0.38 3.32 0.01 -1.26 -3.61 114.94 120.71 2ee9 s ASN 89 Ca 0.04 -0.08 -0.28 0.00 -0.71 0.00 0.00 52.86 51.83 2ee9 s ASN 89 Cb -0.16 -1.42 -0.10 0.00 0.41 0.00 0.00 41.25 39.98 2ee9 s ASN 89 CO -0.00 0.13 1.44 -0.47 -1.51 0.00 0.00 177.10 176.69 2ee9 s TYR 90 N -1.51 2.66 -0.68 2.20 5.04 -1.26 -4.81 117.35 118.99 2ee9 s TYR 90 Ca 0.29 1.23 -0.26 0.00 -2.44 0.00 0.00 57.07 55.90 2ee9 s TYR 90 Cb -0.11 -3.94 -0.03 0.00 0.35 0.00 0.00 41.96 38.23 2ee9 s TYR 90 CO 0.22 -2.74 1.89 -1.25 -1.34 0.00 0.00 175.55 172.32 2ee9 s PRO 91 N -2.09 2.60 -0.71 4.97 0.04 -1.26 -4.92 135.00 133.63 2ee9 s PRO 91 Ca 0.53 0.39 -0.02 0.00 0.04 0.00 0.00 61.00 61.95 2ee9 s PRO 91 Cb -0.45 -4.56 0.18 0.00 0.04 0.00 0.00 34.50 29.72 2ee9 s PRO 91 CO 0.60 -2.90 0.55 1.21 0.04 0.00 0.00 177.00 176.50 2ee9 s ASN 92 N 8.12 5.41 -0.10 6.66 3.04 -1.26 -4.91 114.94 131.90 2ee9 s ASN 92 Ca 0.68 -3.21 -0.19 0.00 0.04 0.00 0.00 52.86 50.19 2ee9 s ASN 92 Cb -0.11 -1.85 -0.16 0.00 -1.54 0.00 0.00 41.25 37.59 2ee9 s ASN 92 CO 0.15 -0.29 0.61 0.77 -3.04 0.00 0.00 177.10 175.31 2ee9 h SER 93 N 6.58 -0.06 0.00 -4.21 4.64 -2.04 -3.50 113.55 114.96 2ee9 h SER 93 Ca 0.05 -0.52 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2ee9 h SER 93 Cb 0.89 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 2ee9 h SER 93 CO 0.75 0.66 0.00 0.61 -0.87 0.00 0.00 176.83 177.98 2ee9 n GLY 94 N 1.30 0.60 0.42 -0.77 0.00 -1.26 -5.33 105.19 100.16 2ee9 n GLY 94 Ca -0.07 -0.40 0.14 0.00 0.00 0.00 0.00 46.02 45.70 2ee9 n GLY 94 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18