#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x45 s SER 2 N 0.00 5.37 0.40 1.61 0.01 -1.26 -5.14 113.70 114.69 1x45 s SER 2 Ca 0.00 -0.32 0.07 0.00 1.31 0.00 0.00 55.95 57.01 1x45 s SER 2 Cb 0.00 -1.30 -0.07 0.00 0.21 0.00 0.00 66.02 64.86 1x45 s SER 2 CO 0.00 -0.05 0.05 -0.94 0.41 0.00 0.00 173.24 172.71 1x45 s SER 3 N -3.83 4.03 0.00 2.44 1.04 -1.26 -5.07 113.70 111.05 1x45 s SER 3 Ca 0.33 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.50 1x45 s SER 3 Cb -0.07 -0.42 0.00 0.00 0.10 0.00 0.00 66.02 65.62 1x45 s SER 3 CO 0.24 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.62 1x45 n GLY 4 N -1.03 0.82 0.09 7.32 0.00 -1.26 -4.99 105.19 106.14 1x45 n GLY 4 Ca -0.04 -1.25 -0.17 0.00 0.00 0.00 0.00 46.02 44.57 1x45 n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1x45 h SER 5 N 0.00 0.20 -1.73 1.61 4.64 -1.97 -3.42 113.55 112.88 1x45 h SER 5 Ca 0.00 -0.97 -0.49 0.00 -0.47 0.00 0.00 61.79 59.85 1x45 h SER 5 Cb 0.00 -0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 61.96 1x45 h SER 5 CO 0.00 1.18 1.18 -0.94 -0.87 0.00 0.00 176.83 177.38 1x45 s SER 6 N -6.55 5.75 0.00 4.97 1.04 -1.26 -4.80 113.70 112.84 1x45 s SER 6 Ca -0.17 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 55.86 1x45 s SER 6 Cb -0.01 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.56 1x45 s SER 6 CO 0.75 -2.12 0.00 0.61 0.98 0.00 0.00 173.24 173.46 1x45 n GLY 7 N 6.00 -0.99 3.68 7.32 0.00 0.32 -4.92 105.19 116.60 1x45 n GLY 7 Ca 0.20 -0.91 -0.49 0.00 0.00 0.00 0.00 46.02 44.83 1x45 n GLY 7 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1x45 n ASP 8 N 0.72 3.17 -4.40 1.61 5.75 -1.26 -2.38 116.55 119.77 1x45 n ASP 8 Ca 0.00 1.02 -0.30 0.00 -0.01 0.00 0.00 54.79 55.49 1x45 n ASP 8 Cb 0.00 -1.35 -0.14 0.00 -1.03 0.00 0.00 41.12 38.60 1x45 n ASP 8 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1x45 s VAL 9 N 3.13 2.40 -0.21 2.12 1.01 0.21 -4.93 120.40 124.13 1x45 s VAL 9 Ca 0.90 -1.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1x45 s VAL 9 Cb -0.74 -1.99 0.06 0.00 0.00 0.00 0.00 36.38 33.70 1x45 s VAL 9 CO 0.50 0.29 -0.01 -0.36 0.00 0.00 0.00 175.10 175.52 1x45 s PHE 10 N -0.91 1.76 -0.46 5.22 0.40 -1.26 -0.35 117.98 122.38 1x45 s PHE 10 Ca 0.13 -1.33 -0.21 0.00 -0.60 0.00 0.00 56.93 54.93 1x45 s PHE 10 Cb -0.10 -1.32 0.03 0.00 0.51 0.00 0.00 43.02 42.14 1x45 s PHE 10 CO 0.04 -0.70 0.67 0.42 0.70 0.00 0.00 175.22 176.35 1x45 s ILE 11 N 1.61 4.80 -0.42 0.64 -1.09 -0.61 -4.96 121.20 121.17 1x45 s ILE 11 Ca -0.03 0.03 -0.21 0.00 -2.23 0.00 0.00 60.65 58.21 1x45 s ILE 11 Cb -0.18 -4.25 0.02 0.00 -1.58 0.00 0.00 42.46 36.47 1x45 s ILE 11 CO -0.07 -0.68 0.67 -1.61 -1.23 0.00 0.00 174.94 172.02 1x45 s GLU 12 N 2.89 3.39 0.20 2.79 2.02 -1.26 -2.70 118.70 126.03 1x45 s GLU 12 Ca 0.22 -0.23 0.04 0.00 0.02 0.00 0.00 54.97 55.02 1x45 s GLU 12 Cb -0.15 -3.92 -0.02 0.00 0.10 0.00 0.00 34.13 30.15 1x45 s GLU 12 CO 0.18 -0.97 0.15 0.36 0.02 0.00 0.00 175.26 175.00 1x45 n LYS 13 N 6.29 0.35 -4.03 1.61 2.85 -0.07 -4.91 118.16 120.25 1x45 n LYS 13 Ca -0.01 -1.96 -0.32 0.00 -1.05 0.00 0.00 58.31 54.97 1x45 n LYS 13 Cb 0.48 1.48 -0.06 0.00 -0.65 0.00 0.00 35.03 36.28 1x45 n LYS 13 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1x45 s GLN 14 N -2.82 3.12 0.74 -1.58 -0.21 -1.26 -4.37 119.66 113.27 1x45 s GLN 14 Ca 0.21 -0.52 -0.14 0.00 0.02 0.00 0.00 55.36 54.93 1x45 s GLN 14 Cb 0.01 -2.88 0.04 0.00 1.00 0.00 0.00 33.01 31.18 1x45 s GLN 14 CO 0.15 0.62 1.14 0.15 -2.12 0.00 0.00 175.29 175.23 1x45 s LYS 15 N -2.10 2.26 0.00 2.91 1.02 -1.26 -3.06 119.74 119.51 1x45 s LYS 15 Ca 0.28 1.49 0.00 0.00 0.02 0.00 0.00 55.97 57.75 1x45 s LYS 15 Cb -0.12 -1.87 0.00 0.00 -0.52 0.00 0.00 37.83 35.31 1x45 s LYS 15 CO 0.19 -1.69 0.00 0.41 -0.92 0.00 0.00 175.35 173.35 1x45 n GLY 16 N -0.27 2.80 3.93 -3.33 0.00 0.17 -4.97 105.19 103.53 1x45 n GLY 16 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1x45 n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x45 s GLU 17 N -0.07 3.38 0.58 1.61 0.41 -1.17 -4.92 118.70 118.51 1x45 s GLU 17 Ca 0.00 -0.22 -0.04 0.00 -0.41 0.00 0.00 54.97 54.30 1x45 s GLU 17 Cb 0.00 -2.55 0.02 0.00 -1.78 0.00 0.00 34.13 29.82 1x45 s GLU 17 CO 0.00 -0.07 0.86 0.96 -0.49 0.00 0.00 175.26 176.52 1x45 s ILE 18 N -2.51 3.39 -2.00 -1.63 -4.36 -1.26 -4.20 121.20 108.64 1x45 s ILE 18 Ca 0.44 -0.21 0.15 0.00 -0.26 0.00 0.00 60.65 60.77 1x45 s ILE 18 Cb -0.10 -3.34 0.42 0.00 1.25 0.00 0.00 42.46 40.70 1x45 s ILE 18 CO 0.39 -0.31 1.35 -0.11 0.24 0.00 0.00 174.94 176.49 1x45 n LEU 19 N -2.51 0.00 -3.88 0.37 7.94 -1.26 -4.60 117.00 113.06 1x45 n LEU 19 Ca 0.05 0.00 -0.27 0.00 -1.11 0.00 0.00 56.01 54.68 1x45 n LEU 19 Cb 0.58 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.49 1x45 n LEU 19 CO 0.51 0.00 -0.26 0.61 -1.11 0.00 0.00 177.39 177.13 1x45 n GLY 20 N 0.25 -0.28 3.40 -3.96 0.00 -1.26 -3.42 105.19 99.93 1x45 n GLY 20 Ca 0.11 0.17 -0.13 0.00 0.00 0.00 0.00 46.02 46.17 1x45 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x45 s VAL 21 N -3.98 -0.00 -0.02 1.61 0.11 -1.26 -1.85 120.40 115.01 1x45 s VAL 21 Ca 0.13 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.19 1x45 s VAL 21 Cb -0.08 -0.71 -0.04 0.00 -1.53 0.00 0.00 36.38 34.03 1x45 s VAL 21 CO 0.72 0.00 0.02 -0.69 -3.33 0.00 0.00 175.10 171.82 1x45 s VAL 22 N 0.38 4.32 0.14 2.04 1.01 0.16 -4.99 120.40 123.45 1x45 s VAL 22 Ca -0.01 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 61.55 1x45 s VAL 22 Cb -0.04 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1x45 s VAL 22 CO -0.01 0.41 -0.16 0.27 0.00 0.00 0.00 175.10 175.61 1x45 s ILE 23 N -1.08 1.57 0.32 2.22 -4.36 -1.26 -0.23 121.20 118.38 1x45 s ILE 23 Ca 0.19 -1.78 0.05 0.00 -0.26 0.00 0.00 60.65 58.85 1x45 s ILE 23 Cb -0.12 -1.66 -0.03 0.00 1.25 0.00 0.00 42.46 41.91 1x45 s ILE 23 CO 0.10 -0.34 0.29 0.68 0.24 0.00 0.00 174.94 175.91 1x45 s VAL 24 N -2.01 0.00 0.20 8.37 -7.23 0.96 -4.73 120.40 115.96 1x45 s VAL 24 Ca 0.11 -1.94 -0.32 0.00 -1.81 0.00 0.00 61.98 58.03 1x45 s VAL 24 Cb -0.06 -2.52 -0.11 0.00 0.56 0.00 0.00 36.38 34.25 1x45 s VAL 24 CO 0.05 0.00 1.68 -1.61 -0.31 0.00 0.00 175.10 174.91 1x45 s GLU 25 N -3.46 4.14 -0.14 4.82 2.02 -1.26 -0.83 118.70 124.00 1x45 s GLU 25 Ca 0.39 2.55 0.01 0.00 0.02 0.00 0.00 54.97 57.95 1x45 s GLU 25 Cb 0.02 -3.09 0.21 0.00 0.10 0.00 0.00 34.13 31.38 1x45 s GLU 25 CO 0.25 -0.72 1.26 0.45 0.02 0.00 0.00 175.26 176.52 1x45 n SER 26 N 3.92 3.18 0.00 -0.19 2.88 -1.26 -4.60 113.62 117.54 1x45 n SER 26 Ca 0.15 -2.49 0.00 0.00 -1.33 0.00 0.00 58.87 55.20 1x45 n SER 26 Cb 0.36 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 1x45 n SER 26 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x45 n GLY 27 N -0.00 -0.95 4.22 0.46 0.00 -1.26 -4.34 105.19 103.31 1x45 n GLY 27 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1x45 n GLY 27 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1x45 n TRP 28 N 0.00 -1.36 -3.42 1.61 7.02 -1.26 -1.52 117.44 118.51 1x45 n TRP 28 Ca 0.00 0.58 -0.20 0.00 -1.02 0.00 0.00 57.50 56.86 1x45 n TRP 28 Cb 0.00 -2.99 0.05 0.00 -2.42 0.00 0.00 31.31 25.95 1x45 n TRP 28 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1x45 n GLY 29 N -2.41 -1.12 3.65 6.99 0.00 -1.26 -4.97 105.19 106.07 1x45 n GLY 29 Ca -0.30 0.52 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 1x45 n GLY 29 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x45 s SER 30 N -3.34 4.15 -0.04 1.61 0.15 -0.57 -4.90 113.70 110.76 1x45 s SER 30 Ca 0.37 -1.11 -0.03 0.00 0.70 0.00 0.00 55.95 55.89 1x45 s SER 30 Cb -0.09 -0.48 -0.02 0.00 -1.71 0.00 0.00 66.02 63.72 1x45 s SER 30 CO 0.80 -0.36 0.21 0.40 1.20 0.00 0.00 173.24 175.49 1x45 h ILE 31 N 1.72 0.00 -3.44 6.45 5.03 -1.88 -3.42 117.51 121.96 1x45 h ILE 31 Ca -0.43 -0.43 -0.74 0.00 -0.12 0.00 0.00 64.86 63.14 1x45 h ILE 31 Cb 1.25 0.00 -0.29 0.00 -3.03 0.00 0.00 36.82 34.75 1x45 h ILE 31 CO 0.71 0.00 -0.25 -0.76 -0.68 0.00 0.00 178.15 177.17 1x45 s LEU 32 N -6.43 5.92 -1.00 1.44 2.01 -1.26 -5.02 118.68 114.34 1x45 s LEU 32 Ca -0.02 -2.27 -0.24 0.00 0.01 0.00 0.00 54.13 51.62 1x45 s LEU 32 Cb 0.00 -2.05 -0.06 0.00 0.01 0.00 0.00 46.19 44.09 1x45 s LEU 32 CO 0.05 -0.62 1.94 -2.16 1.01 0.00 0.00 176.35 176.57 1x45 s PRO 33 N 0.83 2.54 0.00 1.29 0.04 -1.26 -4.68 135.00 133.76 1x45 s PRO 33 Ca 0.10 -0.60 0.00 0.00 0.04 0.00 0.00 61.00 60.54 1x45 s PRO 33 Cb -0.22 -5.13 0.00 0.00 0.04 0.00 0.00 34.50 29.20 1x45 s PRO 33 CO -0.03 -3.59 0.00 0.25 0.04 0.00 0.00 177.00 173.67 1x45 n THR 34 N 7.85 0.00 -3.65 1.26 -2.24 -1.26 -4.03 114.28 112.21 1x45 n THR 34 Ca 0.42 0.10 -0.04 0.00 -2.27 0.00 0.00 64.05 62.27 1x45 n THR 34 Cb 0.47 -0.97 -0.07 0.00 -2.10 0.00 0.00 70.33 67.66 1x45 n THR 34 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1x45 s VAL 35 N -0.35 0.00 0.05 2.28 -7.23 -1.26 -4.30 120.40 109.59 1x45 s VAL 35 Ca 0.00 0.00 0.06 0.00 -1.81 0.00 0.00 61.98 60.23 1x45 s VAL 35 Cb 0.00 -1.00 -0.02 0.00 0.56 0.00 0.00 36.38 35.92 1x45 s VAL 35 CO 0.00 0.00 -0.17 0.27 -0.31 0.00 0.00 175.10 174.89 1x45 s ILE 36 N 0.19 1.35 -0.01 -0.62 -4.36 -0.01 -0.15 121.20 117.59 1x45 s ILE 36 Ca 0.05 -1.16 -0.30 0.00 -0.26 0.00 0.00 60.65 58.99 1x45 s ILE 36 Cb -0.05 -1.22 -0.08 0.00 1.25 0.00 0.00 42.46 42.37 1x45 s ILE 36 CO -0.13 0.04 1.99 -0.63 0.24 0.00 0.00 174.94 176.44 1x45 s ILE 37 N -0.91 3.05 -0.06 8.37 1.09 -0.67 -0.02 121.20 132.03 1x45 s ILE 37 Ca 0.04 0.05 0.13 0.00 -1.10 0.00 0.00 60.65 59.77 1x45 s ILE 37 Cb -0.09 -3.04 -0.23 0.00 -1.06 0.00 0.00 42.46 38.04 1x45 s ILE 37 CO 0.02 -0.01 0.58 0.00 -0.10 0.00 0.00 174.94 175.43 1x45 n ALA 38 N 8.21 1.48 -3.50 9.38 0.00 0.68 -2.46 120.51 134.31 1x45 n ALA 38 Ca 0.21 -0.84 -0.13 0.00 0.00 0.00 0.00 53.44 52.69 1x45 n ALA 38 Cb 0.42 -0.76 -0.04 0.00 0.00 0.00 0.00 19.45 19.07 1x45 n ALA 38 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1x45 s ASN 39 N -6.03 -0.52 -0.12 0.00 3.84 -1.20 -4.97 114.94 105.94 1x45 s ASN 39 Ca -0.06 0.33 0.03 0.00 0.21 0.00 0.00 52.86 53.38 1x45 s ASN 39 Cb 0.08 0.48 0.01 0.00 -0.55 0.00 0.00 41.25 41.26 1x45 s ASN 39 CO 0.82 -0.65 -0.21 -0.04 -2.79 0.00 0.00 177.10 174.23 1x45 s MET 40 N -2.21 2.82 0.23 0.43 -1.94 -1.26 -0.67 119.30 116.71 1x45 s MET 40 Ca -0.03 -0.79 -0.32 0.00 -1.71 0.00 0.00 55.69 52.85 1x45 s MET 40 Cb -0.01 -2.24 -0.13 0.00 2.01 0.00 0.00 34.83 34.46 1x45 s MET 40 CO -0.01 0.04 1.48 -0.12 -0.01 0.00 0.00 175.02 176.40 1x45 n MET 41 N 3.90 2.20 -2.18 2.03 1.56 -0.77 -4.83 117.12 119.03 1x45 n MET 41 Ca -0.20 0.79 -0.31 0.00 -0.27 0.00 0.00 57.70 57.71 1x45 n MET 41 Cb 0.52 -2.49 -0.05 0.00 2.15 0.00 0.00 33.22 33.35 1x45 n MET 41 CO 0.00 0.00 0.00 -1.01 -0.73 0.00 0.00 175.97 174.23 1x45 s HIS 42 N 0.18 2.12 0.00 1.12 3.76 -1.26 -2.24 115.29 118.96 1x45 s HIS 42 Ca 0.70 0.03 0.00 0.00 -0.15 0.00 0.00 55.06 55.64 1x45 s HIS 42 Cb -0.62 -4.18 0.00 0.00 1.11 0.00 0.00 32.58 28.89 1x45 s HIS 42 CO 0.47 -1.42 0.00 0.41 -0.85 0.00 0.00 174.74 173.34 1x45 n GLY 43 N 5.93 1.78 2.90 -2.22 0.00 -1.26 -5.14 105.19 107.18 1x45 n GLY 43 Ca 0.44 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.29 1x45 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x45 n GLY 44 N -0.13 0.81 0.23 -0.02 0.00 -0.95 -4.94 105.19 100.18 1x45 n GLY 44 Ca 0.00 -2.03 -0.08 0.00 0.00 0.00 0.00 46.02 43.91 1x45 n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x45 h PRO 45 N 0.00 0.60 -0.16 1.61 0.13 -1.81 -2.08 132.00 130.29 1x45 h PRO 45 Ca -0.24 -0.32 -0.21 0.00 -0.87 0.00 0.00 66.00 64.36 1x45 h PRO 45 Cb 0.91 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.06 1x45 h PRO 45 CO 0.27 0.91 -0.74 0.00 -0.23 0.00 0.00 178.00 178.21 1x45 h ALA 46 N 1.04 0.37 0.00 -0.56 0.00 -1.74 0.19 119.26 118.57 1x45 h ALA 46 Ca 0.04 -0.59 -0.07 0.00 0.00 0.00 0.00 54.91 54.29 1x45 h ALA 46 Cb 0.94 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1x45 h ALA 46 CO 0.08 0.69 -0.33 1.49 0.00 0.00 0.00 179.25 181.18 1x45 h GLU 47 N 0.53 0.00 0.10 0.00 4.81 -1.76 -2.99 114.58 115.27 1x45 h GLU 47 Ca -0.04 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.85 1x45 h GLU 47 Cb 1.36 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.72 1x45 h GLU 47 CO 0.15 0.33 -1.88 0.87 -0.73 0.00 0.00 179.01 177.75 1x45 h LYS 48 N 0.00 0.22 -0.91 1.92 1.57 -1.31 -3.36 116.57 114.70 1x45 h LYS 48 Ca -0.00 -0.37 0.09 0.00 -1.87 0.00 0.00 60.65 58.49 1x45 h LYS 48 Cb 0.80 0.14 -0.07 0.00 0.08 0.00 0.00 32.23 33.18 1x45 h LYS 48 CO 0.04 1.06 0.56 0.66 -0.57 0.00 0.00 179.45 181.20 1x45 h SER 49 N 0.06 0.84 -0.01 0.86 4.64 -0.58 -3.45 113.55 115.91 1x45 h SER 49 Ca -0.37 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1x45 h SER 49 Cb 2.04 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 63.99 1x45 h SER 49 CO 0.10 0.50 -0.00 0.61 -0.87 0.00 0.00 176.83 177.16 1x45 n GLY 50 N -1.34 0.09 0.22 -0.77 0.00 -1.14 -4.81 105.19 97.46 1x45 n GLY 50 Ca 0.15 -0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.27 1x45 n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x45 h LYS 51 N 0.15 0.00 0.00 1.61 1.79 -1.88 -3.45 116.57 114.79 1x45 h LYS 51 Ca -0.00 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.88 1x45 h LYS 51 Cb 0.86 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.40 1x45 h LYS 51 CO 0.01 0.21 -0.42 1.47 -1.08 0.00 0.00 179.45 179.63 1x45 n LEU 52 N -3.31 0.00 -3.67 2.94 -0.00 -1.26 -4.96 117.00 106.74 1x45 n LEU 52 Ca 0.01 -2.82 -0.14 0.00 -0.00 0.00 0.00 56.01 53.06 1x45 n LEU 52 Cb 0.46 0.31 -0.08 0.00 -0.00 0.00 0.00 43.42 44.10 1x45 n LEU 52 CO 0.33 -0.40 0.22 0.20 -0.00 0.00 0.00 177.39 177.74 1x45 s ASN 53 N -3.48 -0.49 -0.54 1.45 0.01 -1.26 -5.07 114.94 105.56 1x45 s ASN 53 Ca 0.01 0.76 -0.35 0.00 -0.71 0.00 0.00 52.86 52.56 1x45 s ASN 53 Cb -0.00 0.78 -0.15 0.00 0.41 0.00 0.00 41.25 42.29 1x45 s ASN 53 CO 0.00 -0.34 2.31 -0.38 -1.51 0.00 0.00 177.10 177.19 1x45 n ILE 54 N 2.03 0.07 0.00 0.60 2.08 -1.26 -0.22 119.36 122.66 1x45 n ILE 54 Ca -0.17 -0.20 0.00 0.00 0.56 0.00 0.00 62.75 62.94 1x45 n ILE 54 Cb 0.56 -1.25 0.00 0.00 -0.75 0.00 0.00 39.64 38.21 1x45 n ILE 54 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1x45 n GLY 55 N 6.72 0.99 3.76 7.39 0.00 -1.03 -5.01 105.19 118.01 1x45 n GLY 55 Ca 0.49 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.13 1x45 n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x45 s ASP 56 N -0.94 5.94 0.08 1.61 1.11 0.69 -3.70 116.67 121.45 1x45 s ASP 56 Ca 0.00 2.66 0.04 0.00 0.18 0.00 0.00 52.55 55.42 1x45 s ASP 56 Cb 0.00 -2.63 -0.04 0.00 1.07 0.00 0.00 42.92 41.32 1x45 s ASP 56 CO 0.00 -1.11 0.04 0.00 1.18 0.00 0.00 175.17 175.28 1x45 s GLN 57 N -2.54 2.74 -0.41 8.23 -2.07 -0.99 -1.68 119.66 122.94 1x45 s GLN 57 Ca 0.63 -0.74 -0.16 0.00 -1.82 0.00 0.00 55.36 53.26 1x45 s GLN 57 Cb -0.38 -2.65 0.02 0.00 -1.09 0.00 0.00 33.01 28.91 1x45 s GLN 57 CO 0.47 0.56 0.37 0.42 -1.32 0.00 0.00 175.29 175.80 1x45 s ILE 58 N -1.33 5.16 0.18 3.63 1.01 0.79 0.14 121.20 130.79 1x45 s ILE 58 Ca 0.27 -0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.40 1x45 s ILE 58 Cb -0.12 -3.97 0.10 0.00 0.01 0.00 0.00 42.46 38.48 1x45 s ILE 58 CO 0.19 -0.33 1.76 0.24 0.00 0.00 0.00 174.94 176.80 1x45 h MET 59 N 8.66 0.95 -2.87 2.79 2.86 0.51 -3.39 114.93 124.44 1x45 h MET 59 Ca -0.27 -0.15 0.06 0.00 -2.06 0.00 0.00 59.70 57.28 1x45 h MET 59 Cb 1.12 -0.16 -0.08 0.00 0.06 0.00 0.00 31.60 32.54 1x45 h MET 59 CO 0.76 0.78 0.27 -1.54 1.06 0.00 0.00 176.91 178.24 1x45 s SER 60 N -6.11 -0.34 -0.29 1.22 1.04 -1.22 -3.21 113.70 104.79 1x45 s SER 60 Ca -0.13 -0.38 0.02 0.00 0.48 0.00 0.00 55.95 55.94 1x45 s SER 60 Cb 0.14 0.64 0.08 0.00 0.10 0.00 0.00 66.02 66.98 1x45 s SER 60 CO 0.80 -1.15 0.01 -0.63 0.98 0.00 0.00 173.24 173.25 1x45 s ILE 61 N -3.75 1.79 -1.71 -1.02 1.01 0.05 -1.33 121.20 116.24 1x45 s ILE 61 Ca 0.08 -1.76 0.00 0.00 0.00 0.00 0.00 60.65 58.98 1x45 s ILE 61 Cb -0.04 -2.19 0.00 0.00 0.01 0.00 0.00 42.46 40.24 1x45 s ILE 61 CO 0.00 -0.40 0.00 0.59 0.00 0.00 0.00 174.94 175.13 1x45 n ASN 62 N 4.51 -5.40 0.00 3.58 3.02 0.34 -1.70 115.26 119.60 1x45 n ASN 62 Ca -0.04 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1x45 n ASN 62 Cb 0.43 -4.48 0.00 0.00 -0.61 0.00 0.00 39.78 35.12 1x45 n ASN 62 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x45 n GLY 63 N -0.93 0.95 3.44 7.41 0.00 -1.26 -5.04 105.19 109.76 1x45 n GLY 63 Ca -0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 1x45 n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x45 s THR 64 N -2.00 4.92 0.02 2.61 2.01 -0.69 -5.06 115.64 117.44 1x45 s THR 64 Ca 0.00 -0.60 -0.30 0.00 0.31 0.00 0.00 61.69 61.10 1x45 s THR 64 Cb 0.00 -3.66 -0.06 0.00 0.01 0.00 0.00 72.50 68.79 1x45 s THR 64 CO 0.00 -0.16 1.40 -0.94 -0.69 0.00 0.00 174.62 174.23 1x45 s SER 65 N 1.63 6.85 0.00 3.53 1.04 -1.26 -0.77 113.70 124.72 1x45 s SER 65 Ca 0.04 2.15 0.24 0.00 0.48 0.00 0.00 55.95 58.86 1x45 s SER 65 Cb -0.18 -2.56 0.24 0.00 0.10 0.00 0.00 66.02 63.61 1x45 s SER 65 CO 0.08 -0.70 1.25 0.18 0.98 0.00 0.00 173.24 175.03 1x45 n LEU 66 N 5.14 1.97 -4.60 2.42 4.77 -1.20 -4.86 117.00 120.65 1x45 n LEU 66 Ca 0.13 -0.69 -0.46 0.00 -0.03 0.00 0.00 56.01 54.96 1x45 n LEU 66 Cb 0.43 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.46 1x45 n LEU 66 CO 0.58 0.36 1.72 0.52 -1.33 0.00 0.00 177.39 179.24 1x45 n VAL 67 N 0.11 0.44 0.00 4.08 0.31 -1.26 -1.27 118.33 120.74 1x45 n VAL 67 Ca 0.11 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1x45 n VAL 67 Cb 0.46 -2.18 0.00 0.00 -0.91 0.00 0.00 33.84 31.21 1x45 n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x45 n GLY 68 N 5.40 2.94 3.77 2.92 0.00 -1.26 -5.05 105.19 113.92 1x45 n GLY 68 Ca 0.29 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 1x45 n GLY 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x45 n LEU 69 N 0.00 4.96 -4.77 0.99 4.77 -0.40 -4.97 117.00 117.58 1x45 n LEU 69 Ca 0.00 1.19 -0.32 0.00 -0.03 0.00 0.00 56.01 56.85 1x45 n LEU 69 Cb 0.00 -1.62 0.06 0.00 -2.33 0.00 0.00 43.42 39.53 1x45 n LEU 69 CO 0.00 0.09 0.73 -2.16 -1.33 0.00 0.00 177.39 174.72 1x45 s PRO 70 N -2.23 2.62 0.25 3.23 0.04 -1.26 -4.76 135.00 132.89 1x45 s PRO 70 Ca 0.56 1.32 -0.03 0.00 0.04 0.00 0.00 61.00 62.89 1x45 s PRO 70 Cb -0.46 -1.93 0.46 0.00 0.04 0.00 0.00 34.50 32.60 1x45 s PRO 70 CO 0.62 -1.38 1.79 1.25 0.04 0.00 0.00 177.00 179.32 1x45 h LEU 71 N -0.35 0.64 -0.44 -3.56 5.85 -1.93 -0.22 115.31 115.29 1x45 h LEU 71 Ca -0.46 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1x45 h LEU 71 Cb 1.24 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 1x45 h LEU 71 CO 0.53 0.33 0.28 -1.28 -0.34 0.00 0.00 178.44 177.97 1x45 h SER 72 N 0.74 0.51 0.72 1.25 0.87 -1.98 -2.13 113.55 113.54 1x45 h SER 72 Ca 0.43 -0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.92 1x45 h SER 72 Cb 0.48 -0.13 0.01 0.00 -0.44 0.00 0.00 62.40 62.31 1x45 h SER 72 CO -0.29 0.39 -0.35 0.74 -0.53 0.00 0.00 176.83 176.80 1x45 h THR 73 N 0.59 0.00 -0.96 2.23 2.02 -1.65 -2.80 112.91 112.33 1x45 h THR 73 Ca 0.16 -0.19 0.31 0.00 0.77 0.00 0.00 66.41 67.46 1x45 h THR 73 Cb -0.04 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.21 1x45 h THR 73 CO -0.03 0.00 0.37 0.00 0.37 0.00 0.00 175.52 176.23 1x45 h GLN 75 N 0.16 0.49 -0.44 0.00 4.20 -1.30 -2.64 115.11 115.58 1x45 h GLN 75 Ca 0.69 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 59.42 1x45 h GLN 75 Cb 1.57 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 29.20 1x45 h GLN 75 CO -0.71 0.32 0.18 1.03 -0.67 0.00 0.00 178.83 178.98 1x45 h SER 76 N 0.50 0.22 -0.27 1.46 0.87 0.24 -0.24 113.55 116.33 1x45 h SER 76 Ca 0.17 0.04 0.08 0.00 -1.23 0.00 0.00 61.79 60.85 1x45 h SER 76 Cb 0.01 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1x45 h SER 76 CO -0.08 0.16 0.27 0.40 -0.53 0.00 0.00 176.83 177.05 1x45 h ILE 77 N 0.37 0.51 0.00 2.23 2.04 -1.07 0.25 117.51 121.83 1x45 h ILE 77 Ca 0.20 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.02 1x45 h ILE 77 Cb 0.17 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1x45 h ILE 77 CO -0.19 0.00 -0.72 0.40 0.00 0.00 0.00 178.15 177.65 1x45 h ILE 78 N 0.00 0.20 0.00 -0.67 2.04 -0.85 -3.29 117.51 114.94 1x45 h ILE 78 Ca 0.13 -1.33 -0.08 0.00 1.00 0.00 0.00 64.86 64.57 1x45 h ILE 78 Cb 0.66 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 1x45 h ILE 78 CO -0.00 0.11 -0.39 0.11 0.00 0.00 0.00 178.15 177.99 1x45 h LYS 79 N 0.00 0.00 -0.96 2.37 1.57 0.31 -3.00 116.57 116.85 1x45 h LYS 79 Ca -0.03 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 1x45 h LYS 79 Cb 1.15 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.41 1x45 h LYS 79 CO 0.02 0.39 0.10 0.41 -0.57 0.00 0.00 179.45 179.79 1x45 n GLY 80 N 0.21 2.32 0.16 3.86 0.00 -1.09 -3.39 105.19 107.26 1x45 n GLY 80 Ca -0.00 -0.25 0.04 0.00 0.00 0.00 0.00 46.02 45.81 1x45 n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x45 n LEU 81 N 0.12 0.98 0.05 0.99 4.77 -1.13 -4.55 117.00 118.23 1x45 n LEU 81 Ca 0.12 -0.71 0.10 0.00 -0.03 0.00 0.00 56.01 55.48 1x45 n LEU 81 Cb 0.67 0.00 0.54 0.00 -2.33 0.00 0.00 43.42 42.30 1x45 n LEU 81 CO 0.12 0.20 1.15 0.50 -1.33 0.00 0.00 177.39 178.03 1x45 h LYS 82 N 0.79 0.27 -0.51 3.23 3.64 -1.72 0.16 116.57 122.43 1x45 h LYS 82 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1x45 h LYS 82 Cb 0.28 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1x45 h LYS 82 CO 0.00 0.18 0.00 0.09 -2.27 0.00 0.00 179.45 177.45 1x45 n ASN 83 N -4.48 2.71 -3.98 4.20 3.02 -1.26 0.45 115.26 115.92 1x45 n ASN 83 Ca 0.04 -2.09 -0.31 0.00 -0.03 0.00 0.00 54.58 52.19 1x45 n ASN 83 Cb 0.23 -0.36 -0.15 0.00 -0.61 0.00 0.00 39.78 38.89 1x45 n ASN 83 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1x45 s GLN 84 N -1.49 1.54 0.07 3.52 -0.21 0.56 -4.83 119.66 118.82 1x45 s GLN 84 Ca 0.32 -1.56 -0.35 0.00 0.02 0.00 0.00 55.36 53.78 1x45 s GLN 84 Cb 0.18 -2.91 -0.19 0.00 1.00 0.00 0.00 33.01 31.09 1x45 s GLN 84 CO 0.19 -0.83 1.59 0.66 -2.12 0.00 0.00 175.29 174.78 1x45 h SER 85 N 7.75 -1.05 -3.64 5.90 4.64 -1.79 -3.40 113.55 121.96 1x45 h SER 85 Ca -0.10 0.05 -0.69 0.00 -0.47 0.00 0.00 61.79 60.58 1x45 h SER 85 Cb 1.03 0.30 -0.20 0.00 -0.31 0.00 0.00 62.40 63.21 1x45 h SER 85 CO 0.49 -0.68 -0.48 -0.60 -0.87 0.00 0.00 176.83 174.69 1x45 s ARG 86 N -5.99 3.27 -0.03 4.77 3.52 -1.26 -0.90 118.95 122.34 1x45 s ARG 86 Ca -0.19 -0.79 0.07 0.00 -0.13 0.00 0.00 55.73 54.69 1x45 s ARG 86 Cb 0.03 -3.81 -0.01 0.00 -1.56 0.00 0.00 34.95 29.60 1x45 s ARG 86 CO 0.61 -0.54 -0.23 0.08 -0.81 0.00 0.00 175.30 174.41 1x45 s VAL 87 N 1.68 1.83 -0.21 7.11 1.01 -1.10 -5.00 120.40 125.72 1x45 s VAL 87 Ca 0.05 -0.98 -0.10 0.00 0.00 0.00 0.00 61.98 60.96 1x45 s VAL 87 Cb -0.18 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 1x45 s VAL 87 CO 0.09 0.52 0.13 -0.75 0.00 0.00 0.00 175.10 175.09 1x45 s LYS 88 N -0.41 4.11 0.01 2.72 2.20 -1.26 -1.57 119.74 125.53 1x45 s LYS 88 Ca 0.05 -0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.41 1x45 s LYS 88 Cb -0.10 -3.42 -0.01 0.00 -1.51 0.00 0.00 37.83 32.79 1x45 s LYS 88 CO 0.00 0.21 -0.03 -0.51 -0.36 0.00 0.00 175.35 174.67 1x45 s LEU 89 N 0.60 2.13 -0.37 5.43 1.43 0.52 0.13 118.68 128.55 1x45 s LEU 89 Ca 0.07 -0.29 -0.15 0.00 -1.03 0.00 0.00 54.13 52.74 1x45 s LEU 89 Cb -0.12 -0.00 -0.00 0.00 0.03 0.00 0.00 46.19 46.09 1x45 s LEU 89 CO 0.00 -0.14 0.32 0.21 0.23 0.00 0.00 176.35 176.97 1x45 s ASN 90 N -0.82 6.13 -0.00 2.29 3.04 -0.44 0.65 114.94 125.79 1x45 s ASN 90 Ca -0.08 -0.49 -0.00 0.00 0.04 0.00 0.00 52.86 52.33 1x45 s ASN 90 Cb -0.06 -2.17 -0.04 0.00 -1.54 0.00 0.00 41.25 37.44 1x45 s ASN 90 CO -0.00 -0.36 0.08 -0.63 -3.04 0.00 0.00 177.10 173.14 1x45 s ILE 91 N 1.86 4.68 -0.21 -5.21 -1.09 -1.00 0.11 121.20 120.35 1x45 s ILE 91 Ca 0.08 -0.44 -0.04 0.00 -2.23 0.00 0.00 60.65 58.03 1x45 s ILE 91 Cb -0.17 -3.14 0.10 0.00 -1.58 0.00 0.00 42.46 37.66 1x45 s ILE 91 CO 0.11 0.34 0.23 -0.69 -1.23 0.00 0.00 174.94 173.71 1x45 s VAL 92 N -1.19 -0.34 -0.43 2.92 1.01 0.12 -0.52 120.40 121.96 1x45 s VAL 92 Ca 0.23 -0.12 -0.40 0.00 0.00 0.00 0.00 61.98 61.69 1x45 s VAL 92 Cb -0.12 -0.69 -0.17 0.00 0.00 0.00 0.00 36.38 35.40 1x45 s VAL 92 CO 0.14 -0.20 1.45 -0.24 0.00 0.00 0.00 175.10 176.24 1x45 n SER 93 N 5.32 0.98 -3.35 3.32 2.88 -1.26 -2.35 113.62 119.16 1x45 n SER 93 Ca -0.05 0.96 -0.11 0.00 -1.33 0.00 0.00 58.87 58.33 1x45 n SER 93 Cb 0.50 -0.76 0.11 0.00 -0.75 0.00 0.00 64.21 63.30 1x45 n SER 93 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x45 n GLY 94 N 3.90 -1.97 3.67 0.46 0.00 -1.24 -4.81 105.19 105.20 1x45 n GLY 94 Ca 0.30 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 1x45 n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x45 s PRO 95 N -3.00 4.23 -0.13 1.61 0.04 -1.26 -4.90 135.00 131.59 1x45 s PRO 95 Ca 0.25 2.02 -0.08 0.00 0.04 0.00 0.00 61.00 63.23 1x45 s PRO 95 Cb -0.04 -3.75 -0.06 0.00 0.04 0.00 0.00 34.50 30.69 1x45 s PRO 95 CO 0.21 -0.70 -0.19 -1.13 0.04 0.00 0.00 177.00 175.23 1x45 n SER 96 N 6.20 1.11 -4.49 6.66 3.41 -1.26 -5.02 113.62 120.23 1x45 n SER 96 Ca 0.15 0.19 -0.53 0.00 -0.26 0.00 0.00 58.87 58.42 1x45 n SER 96 Cb 0.43 -0.45 -0.05 0.00 -0.26 0.00 0.00 64.21 63.88 1x45 n SER 96 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x45 n SER 97 N -3.71 -0.01 0.00 4.04 2.88 -1.26 -5.27 113.62 110.29 1x45 n SER 97 Ca -0.25 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.43 1x45 n SER 97 Cb 0.63 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.08 1x45 n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42