#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x45 n SER 2 N 0.00 0.01 -4.66 1.61 3.41 -1.26 -5.02 113.62 107.71 1x45 n SER 2 Ca 0.00 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.16 1x45 n SER 2 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1x45 n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x45 n SER 3 N -2.97 3.83 0.00 4.04 7.64 -1.26 -4.63 113.62 120.27 1x45 n SER 3 Ca 0.00 0.89 0.00 0.00 1.01 0.00 0.00 58.87 60.77 1x45 n SER 3 Cb 0.47 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 1x45 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x45 n GLY 4 N 4.59 -0.32 3.56 0.23 0.00 -1.26 -5.07 105.19 106.93 1x45 n GLY 4 Ca 0.22 0.10 -0.52 0.00 0.00 0.00 0.00 46.02 45.82 1x45 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x45 n SER 5 N 0.00 1.17 -4.49 1.61 7.64 -1.26 -4.57 113.62 113.72 1x45 n SER 5 Ca 0.00 1.13 -0.39 0.00 1.01 0.00 0.00 58.87 60.63 1x45 n SER 5 Cb 0.00 -1.14 -0.11 0.00 -1.01 0.00 0.00 64.21 61.94 1x45 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x45 s SER 6 N 0.20 5.71 0.00 6.43 1.04 -1.26 -4.85 113.70 120.97 1x45 s SER 6 Ca 0.81 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.87 1x45 s SER 6 Cb -0.97 -2.05 0.00 0.00 0.10 0.00 0.00 66.02 63.10 1x45 s SER 6 CO 0.50 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.17 1x45 n GLY 7 N 5.02 -0.55 3.69 7.32 0.00 -0.55 -4.95 105.19 115.16 1x45 n GLY 7 Ca -0.14 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 1x45 n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x45 s ASP 8 N -4.00 6.61 0.05 1.61 1.01 -1.26 -1.81 116.67 118.88 1x45 s ASP 8 Ca 0.00 2.45 0.07 0.00 0.71 0.00 0.00 52.55 55.78 1x45 s ASP 8 Cb 0.00 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.34 1x45 s ASP 8 CO 0.00 -0.89 -0.16 -0.69 0.21 0.00 0.00 175.17 173.64 1x45 s VAL 9 N 2.84 2.96 -0.22 -1.27 1.01 0.17 -4.94 120.40 120.95 1x45 s VAL 9 Ca 0.74 -1.18 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 1x45 s VAL 9 Cb -0.39 -2.28 0.06 0.00 0.00 0.00 0.00 36.38 33.77 1x45 s VAL 9 CO 0.32 0.29 -0.02 -0.36 0.00 0.00 0.00 175.10 175.33 1x45 s PHE 10 N -0.99 1.87 -0.46 5.22 0.08 -1.26 -0.41 117.98 122.03 1x45 s PHE 10 Ca 0.16 -1.40 -0.20 0.00 0.12 0.00 0.00 56.93 55.60 1x45 s PHE 10 Cb -0.11 -1.37 0.03 0.00 -0.57 0.00 0.00 43.02 41.01 1x45 s PHE 10 CO 0.07 -0.71 0.63 0.42 -0.10 0.00 0.00 175.22 175.53 1x45 s ILE 11 N 1.57 4.84 -0.46 0.64 -1.09 -0.54 -4.94 121.20 121.22 1x45 s ILE 11 Ca -0.04 -0.07 -0.22 0.00 -2.23 0.00 0.00 60.65 58.09 1x45 s ILE 11 Cb -0.18 -4.23 0.03 0.00 -1.58 0.00 0.00 42.46 36.50 1x45 s ILE 11 CO -0.07 -0.66 0.74 -1.61 -1.23 0.00 0.00 174.94 172.11 1x45 s GLU 12 N 2.77 3.34 0.19 2.79 2.02 -1.26 -2.68 118.70 125.87 1x45 s GLU 12 Ca 0.20 -0.25 0.03 0.00 0.02 0.00 0.00 54.97 54.97 1x45 s GLU 12 Cb -0.15 -3.96 -0.01 0.00 0.10 0.00 0.00 34.13 30.11 1x45 s GLU 12 CO 0.17 -1.11 0.10 0.36 0.02 0.00 0.00 175.26 174.80 1x45 n LYS 13 N 6.58 0.55 -4.46 1.61 2.85 -0.60 -4.93 118.16 119.75 1x45 n LYS 13 Ca 0.00 -1.72 -0.34 0.00 -1.05 0.00 0.00 58.31 55.21 1x45 n LYS 13 Cb 0.48 1.10 -0.10 0.00 -0.65 0.00 0.00 35.03 35.86 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 -2.75 2.85 0.50 -1.58 -0.21 -1.26 -4.29 119.66 112.92 1x45 s GLN 14 Ca 0.14 -0.50 -0.23 0.00 0.02 0.00 0.00 55.36 54.79 1x45 s GLN 14 Cb 0.01 -2.69 -0.06 0.00 1.00 0.00 0.00 33.01 31.27 1x45 s GLN 14 CO 0.10 0.67 1.35 0.15 -2.12 0.00 0.00 175.29 175.45 1x45 s LYS 15 N -0.97 3.40 0.00 2.91 1.02 -1.26 -2.96 119.74 121.89 1x45 s LYS 15 Ca 0.14 2.24 0.00 0.00 0.02 0.00 0.00 55.97 58.36 1x45 s LYS 15 Cb -0.11 -2.41 0.00 0.00 -0.52 0.00 0.00 37.83 34.78 1x45 s LYS 15 CO 0.03 -0.98 0.00 0.41 -0.92 0.00 0.00 175.35 173.89 1x45 n GLY 16 N 0.66 2.81 3.96 -3.33 0.00 0.14 -4.96 105.19 104.47 1x45 n GLY 16 Ca 0.08 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 1x45 n GLY 16 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x45 s GLU 17 N 0.00 3.41 0.77 1.61 -1.05 -1.15 -4.89 118.70 117.39 1x45 s GLU 17 Ca 0.00 -0.67 -0.10 0.00 -0.15 0.00 0.00 54.97 54.05 1x45 s GLU 17 Cb 0.00 -2.82 0.09 0.00 -0.44 0.00 0.00 34.13 30.96 1x45 s GLU 17 CO 0.00 0.30 1.11 0.96 0.95 0.00 0.00 175.26 178.58 1x45 s ILE 18 N -2.10 2.13 -2.00 1.83 -4.36 -1.26 -4.09 121.20 111.34 1x45 s ILE 18 Ca 0.37 -0.14 0.06 0.00 -0.26 0.00 0.00 60.65 60.67 1x45 s ILE 18 Cb -0.09 -2.98 0.16 0.00 1.25 0.00 0.00 42.46 40.80 1x45 s ILE 18 CO 0.31 0.00 1.08 -0.11 0.24 0.00 0.00 174.94 176.46 1x45 n LEU 19 N -3.17 0.00 -3.91 0.37 7.94 -1.26 -4.62 117.00 112.35 1x45 n LEU 19 Ca 0.09 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.70 1x45 n LEU 19 Cb 0.61 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.53 1x45 n LEU 19 CO 0.53 0.00 -0.24 0.61 -1.11 0.00 0.00 177.39 177.18 1x45 n GLY 20 N 0.42 -0.34 3.31 -3.96 0.00 -1.26 -3.37 105.19 99.98 1x45 n GLY 20 Ca 0.04 0.19 -0.14 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.97 0.03 0.00 1.61 0.11 -1.26 -1.80 120.40 115.12 1x45 s VAL 21 Ca 0.18 -0.26 0.05 0.00 -2.93 0.00 0.00 61.98 59.02 1x45 s VAL 21 Cb -0.10 -0.68 -0.03 0.00 -1.53 0.00 0.00 36.38 34.04 1x45 s VAL 21 CO 0.72 -0.14 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.52 1x45 s VAL 22 N -0.88 3.07 0.13 2.04 1.01 0.03 -4.97 120.40 120.83 1x45 s VAL 22 Ca -0.09 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.01 1x45 s VAL 22 Cb -0.04 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1x45 s VAL 22 CO 0.04 0.43 -0.15 0.27 0.00 0.00 0.00 175.10 175.69 1x45 s ILE 23 N -0.88 1.43 0.24 2.22 -4.36 -1.26 -0.40 121.20 118.19 1x45 s ILE 23 Ca 0.14 -1.74 -0.02 0.00 -0.26 0.00 0.00 60.65 58.77 1x45 s ILE 23 Cb -0.11 -1.58 -0.03 0.00 1.25 0.00 0.00 42.46 41.99 1x45 s ILE 23 CO 0.04 -0.38 0.26 0.68 0.24 0.00 0.00 174.94 175.78 1x45 s VAL 24 N -2.08 0.00 0.19 8.37 -7.23 0.40 -4.77 120.40 115.29 1x45 s VAL 24 Ca 0.10 -1.84 -0.33 0.00 -1.81 0.00 0.00 61.98 58.10 1x45 s VAL 24 Cb -0.05 -2.46 -0.13 0.00 0.56 0.00 0.00 36.38 34.31 1x45 s VAL 24 CO 0.04 0.00 1.68 -0.62 -0.31 0.00 0.00 175.10 175.88 1x45 n GLU 25 N -0.37 2.56 -0.02 4.82 1.02 -1.26 -1.59 120.64 125.80 1x45 n GLU 25 Ca 0.02 0.92 0.00 0.00 -0.02 0.00 0.00 57.16 58.09 1x45 n GLU 25 Cb 0.64 -2.74 0.01 0.00 -0.02 0.00 0.00 31.44 29.33 1x45 n GLU 25 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1x45 n SER 26 N 3.83 0.25 -3.70 1.62 7.64 -1.26 -4.63 113.62 117.37 1x45 n SER 26 Ca 0.16 -2.00 -0.42 0.00 1.01 0.00 0.00 58.87 57.62 1x45 n SER 26 Cb 0.33 -0.07 -0.05 0.00 -1.01 0.00 0.00 64.21 63.41 1x45 n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x45 n GLY 27 N 0.49 2.70 2.55 0.23 0.00 -1.26 -4.28 105.19 105.62 1x45 n GLY 27 Ca 0.01 -1.28 -0.10 0.00 0.00 0.00 0.00 46.02 44.65 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 7.71 1.81 -1.59 1.61 7.02 -1.26 -4.93 117.44 127.82 1x45 n TRP 28 Ca 0.50 -2.27 0.00 0.00 -1.02 0.00 0.00 57.50 54.70 1x45 n TRP 28 Cb 0.41 -0.27 0.00 0.00 -2.42 0.00 0.00 31.31 29.03 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 -0.58 0.38 4.00 6.99 0.00 -1.26 -4.62 105.19 110.11 1x45 n GLY 29 Ca 0.20 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 45.04 1x45 n GLY 29 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x45 s SER 30 N -2.99 4.81 -0.07 1.61 1.04 -1.26 -4.90 113.70 111.93 1x45 s SER 30 Ca 0.00 -0.45 -0.02 0.00 0.48 0.00 0.00 55.95 55.96 1x45 s SER 30 Cb 0.00 -0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.00 1x45 s SER 30 CO 0.00 -1.51 -0.03 0.40 0.98 0.00 0.00 173.24 173.07 1x45 h ILE 31 N -0.14 0.00 -3.24 -1.02 5.03 -1.97 -3.43 117.51 112.74 1x45 h ILE 31 Ca -0.36 -0.66 -0.76 0.00 -0.12 0.00 0.00 64.86 62.97 1x45 h ILE 31 Cb 1.28 0.00 -0.25 0.00 -3.03 0.00 0.00 36.82 34.81 1x45 h ILE 31 CO 0.43 0.00 -0.21 -0.76 -0.68 0.00 0.00 178.15 176.93 1x45 s LEU 32 N -6.97 6.17 -0.89 1.44 2.01 -1.26 -5.01 118.68 114.17 1x45 s LEU 32 Ca -0.03 -1.97 -0.25 0.00 0.01 0.00 0.00 54.13 51.90 1x45 s LEU 32 Cb 0.00 -2.17 -0.05 0.00 0.01 0.00 0.00 46.19 43.99 1x45 s LEU 32 CO 0.04 -0.78 1.95 -2.16 1.01 0.00 0.00 176.35 176.41 1x45 s PRO 33 N 1.31 2.55 0.00 1.29 0.04 -1.26 -4.70 135.00 134.23 1x45 s PRO 33 Ca 0.06 -0.25 0.00 0.00 0.04 0.00 0.00 61.00 60.85 1x45 s PRO 33 Cb -0.26 -5.04 0.00 0.00 0.04 0.00 0.00 34.50 29.24 1x45 s PRO 33 CO 0.00 -3.36 0.00 0.25 0.04 0.00 0.00 177.00 173.93 1x45 n THR 34 N 7.86 0.00 -3.64 1.26 -2.24 -1.26 -3.80 114.28 112.46 1x45 n THR 34 Ca 0.39 0.08 -0.04 0.00 -2.27 0.00 0.00 64.05 62.21 1x45 n THR 34 Cb 0.47 -0.90 -0.06 0.00 -2.10 0.00 0.00 70.33 67.74 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 -0.38 0.00 0.13 2.28 -7.23 -1.26 -4.28 120.40 109.66 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 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 1x45 s VAL 35 CO 0.00 0.00 -0.13 0.27 -0.31 0.00 0.00 175.10 174.93 1x45 s ILE 36 N -0.26 1.30 -0.07 -0.62 -4.36 -0.62 -0.48 121.20 116.10 1x45 s ILE 36 Ca 0.06 -1.83 -0.30 0.00 -0.26 0.00 0.00 60.65 58.33 1x45 s ILE 36 Cb -0.04 -1.63 -0.04 0.00 1.25 0.00 0.00 42.46 42.00 1x45 s ILE 36 CO -0.11 -0.51 1.42 -0.63 0.24 0.00 0.00 174.94 175.34 1x45 s ILE 37 N -2.48 3.87 -0.12 8.37 1.09 -0.64 -0.45 121.20 130.85 1x45 s ILE 37 Ca 0.11 1.15 0.16 0.00 -1.10 0.00 0.00 60.65 60.97 1x45 s ILE 37 Cb -0.03 -3.74 -0.23 0.00 -1.06 0.00 0.00 42.46 37.40 1x45 s ILE 37 CO 0.03 -0.06 0.45 0.00 -0.10 0.00 0.00 174.94 175.26 1x45 n ALA 38 N 6.21 1.64 -3.52 9.38 0.00 0.46 -2.44 120.51 132.24 1x45 n ALA 38 Ca 0.14 -0.94 -0.10 0.00 0.00 0.00 0.00 53.44 52.54 1x45 n ALA 38 Cb 0.44 -0.60 -0.03 0.00 0.00 0.00 0.00 19.45 19.25 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 -5.72 -0.41 -0.09 0.00 3.84 -1.23 -4.97 114.94 106.35 1x45 s ASN 39 Ca -0.07 0.20 0.04 0.00 0.21 0.00 0.00 52.86 53.25 1x45 s ASN 39 Cb 0.08 0.39 0.00 0.00 -0.55 0.00 0.00 41.25 41.17 1x45 s ASN 39 CO 0.83 -0.55 -0.22 -0.04 -2.79 0.00 0.00 177.10 174.32 1x45 s MET 40 N -2.32 2.86 0.28 0.43 -1.94 -1.26 -0.79 119.30 116.55 1x45 s MET 40 Ca 0.01 -0.82 -0.30 0.00 -1.71 0.00 0.00 55.69 52.87 1x45 s MET 40 Cb -0.01 -2.18 -0.13 0.00 2.01 0.00 0.00 34.83 34.53 1x45 s MET 40 CO -0.04 0.16 1.45 -0.12 -0.01 0.00 0.00 175.02 176.46 1x45 n MET 41 N 3.55 2.28 -1.79 2.03 1.56 -0.74 -4.83 117.12 119.18 1x45 n MET 41 Ca -0.19 0.81 -0.38 0.00 -0.27 0.00 0.00 57.70 57.66 1x45 n MET 41 Cb 0.53 -2.49 -0.04 0.00 2.15 0.00 0.00 33.22 33.36 1x45 n MET 41 CO 0.00 0.00 0.00 0.72 -0.73 0.00 0.00 175.97 175.96 1x45 n HIS 42 N 1.66 2.87 0.00 1.12 8.25 -1.26 -2.50 115.22 125.36 1x45 n HIS 42 Ca 0.09 -2.03 0.00 0.00 -0.26 0.00 0.00 57.72 55.53 1x45 n HIS 42 Cb 0.34 -2.30 0.00 0.00 1.12 0.00 0.00 29.99 29.15 1x45 n HIS 42 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x45 n GLY 43 N 5.05 1.59 2.38 -1.41 0.00 -1.26 -5.15 105.19 106.39 1x45 n GLY 43 Ca 0.48 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.38 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 0.00 1.59 0.25 -0.02 0.00 -1.04 -4.96 105.19 101.02 1x45 n GLY 44 Ca 0.00 -2.14 -0.11 0.00 0.00 0.00 0.00 46.02 43.77 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 0.82 -0.07 1.61 0.13 -1.82 -2.28 132.00 130.39 1x45 h PRO 45 Ca -0.18 -0.43 -0.21 0.00 -0.87 0.00 0.00 66.00 64.31 1x45 h PRO 45 Cb 0.76 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1x45 h PRO 45 CO 0.23 1.07 -0.81 0.00 -0.23 0.00 0.00 178.00 178.26 1x45 h ALA 46 N 0.87 0.45 -0.10 -0.56 0.00 -1.75 0.20 119.26 118.37 1x45 h ALA 46 Ca 0.05 -0.63 -0.10 0.00 0.00 0.00 0.00 54.91 54.23 1x45 h ALA 46 Cb 0.96 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1x45 h ALA 46 CO 0.09 0.75 -0.38 1.49 0.00 0.00 0.00 179.25 181.21 1x45 h GLU 47 N 0.34 0.22 0.10 0.00 4.57 -1.75 -3.09 114.58 114.96 1x45 h GLU 47 Ca -0.05 -0.10 -0.33 0.00 -1.18 0.00 0.00 59.36 57.70 1x45 h GLU 47 Cb 1.42 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.98 1x45 h GLU 47 CO 0.15 0.57 -1.77 0.87 -1.18 0.00 0.00 179.01 177.65 1x45 h LYS 48 N 0.19 0.20 -0.79 1.92 1.57 -1.38 -3.36 116.57 114.92 1x45 h LYS 48 Ca 0.02 -0.35 0.16 0.00 -1.87 0.00 0.00 60.65 58.61 1x45 h LYS 48 Cb 0.75 0.13 -0.10 0.00 0.08 0.00 0.00 32.23 33.09 1x45 h LYS 48 CO 0.06 1.01 0.30 0.66 -0.57 0.00 0.00 179.45 180.91 1x45 h SER 49 N 0.06 0.24 -0.84 0.86 4.64 -0.55 -3.45 113.55 114.50 1x45 h SER 49 Ca -0.33 0.13 -0.33 0.00 -0.47 0.00 0.00 61.79 60.78 1x45 h SER 49 Cb 2.03 0.12 -0.13 0.00 -0.31 0.00 0.00 62.40 64.11 1x45 h SER 49 CO 0.11 0.06 -0.31 0.61 -0.87 0.00 0.00 176.83 176.43 1x45 n GLY 50 N -1.33 1.55 0.11 -0.77 0.00 -1.17 -4.87 105.19 98.70 1x45 n GLY 50 Ca 0.16 -0.25 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 0.18 0.00 1.61 1.79 -1.88 -3.48 116.57 114.80 1x45 h LYS 51 Ca -0.34 -0.32 -0.42 0.00 -2.18 0.00 0.00 60.65 57.40 1x45 h LYS 51 Cb 1.07 0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 31.81 1x45 h LYS 51 CO 0.49 1.00 -0.18 1.47 -1.08 0.00 0.00 179.45 181.14 1x45 n LEU 52 N -3.37 0.00 -3.59 2.94 -0.00 -1.26 -4.88 117.00 106.83 1x45 n LEU 52 Ca -0.17 -2.11 -0.16 0.00 -0.00 0.00 0.00 56.01 53.56 1x45 n LEU 52 Cb 1.04 -0.08 -0.07 0.00 -0.00 0.00 0.00 43.42 44.31 1x45 n LEU 52 CO 0.48 -0.53 0.33 0.20 -0.00 0.00 0.00 177.39 177.87 1x45 s ASN 53 N -3.48 -0.56 -0.53 1.45 0.01 -1.26 -5.06 114.94 105.51 1x45 s ASN 53 Ca 0.27 0.67 -0.33 0.00 -0.71 0.00 0.00 52.86 52.76 1x45 s ASN 53 Cb -0.02 0.61 -0.14 0.00 0.41 0.00 0.00 41.25 42.11 1x45 s ASN 53 CO 0.17 -0.51 2.34 -0.38 -1.51 0.00 0.00 177.10 177.21 1x45 n ILE 54 N 1.29 0.08 0.00 0.60 2.08 -1.26 -0.25 119.36 121.89 1x45 n ILE 54 Ca -0.19 -0.28 0.00 0.00 0.56 0.00 0.00 62.75 62.85 1x45 n ILE 54 Cb 0.57 -1.49 0.00 0.00 -0.75 0.00 0.00 39.64 37.96 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 6.54 1.39 3.77 7.39 0.00 -1.02 -5.01 105.19 118.23 1x45 n GLY 55 Ca 0.47 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.19 6.11 0.17 1.61 1.11 0.65 -3.35 116.67 121.77 1x45 s ASP 56 Ca 0.00 2.49 0.07 0.00 0.18 0.00 0.00 52.55 55.29 1x45 s ASP 56 Cb 0.00 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.33 1x45 s ASP 56 CO 0.00 -0.97 0.01 0.00 1.18 0.00 0.00 175.17 175.38 1x45 s GLN 57 N -2.54 2.44 -0.27 8.23 -2.07 -1.04 -1.62 119.66 122.80 1x45 s GLN 57 Ca 0.62 -1.07 -0.10 0.00 -1.82 0.00 0.00 55.36 52.98 1x45 s GLN 57 Cb -0.34 -2.39 -0.05 0.00 -1.09 0.00 0.00 33.01 29.15 1x45 s GLN 57 CO 0.42 0.46 0.17 0.42 -1.32 0.00 0.00 175.29 175.44 1x45 s ILE 58 N -1.70 5.13 0.15 3.63 1.01 0.37 0.10 121.20 129.89 1x45 s ILE 58 Ca 0.27 0.11 -0.06 0.00 0.00 0.00 0.00 60.65 60.97 1x45 s ILE 58 Cb -0.09 -3.43 -0.11 0.00 0.01 0.00 0.00 42.46 38.83 1x45 s ILE 58 CO 0.19 0.27 1.40 0.24 0.00 0.00 0.00 174.94 177.04 1x45 h MET 59 N 8.30 0.61 -2.64 2.79 2.86 -0.25 -3.39 114.93 123.20 1x45 h MET 59 Ca -0.36 -0.47 0.12 0.00 -2.06 0.00 0.00 59.70 56.94 1x45 h MET 59 Cb 1.19 0.09 -0.07 0.00 0.06 0.00 0.00 31.60 32.86 1x45 h MET 59 CO 0.56 1.09 0.37 -1.54 1.06 0.00 0.00 176.91 178.45 1x45 s SER 60 N -7.01 -0.23 -0.24 1.22 1.04 -1.24 -3.15 113.70 104.08 1x45 s SER 60 Ca -0.08 -0.46 0.01 0.00 0.48 0.00 0.00 55.95 55.89 1x45 s SER 60 Cb 0.10 0.59 0.07 0.00 0.10 0.00 0.00 66.02 66.88 1x45 s SER 60 CO 0.87 -1.09 -0.03 -0.63 0.98 0.00 0.00 173.24 173.34 1x45 s ILE 61 N -3.57 1.47 -1.35 -1.02 1.01 -0.47 -1.86 121.20 115.40 1x45 s ILE 61 Ca 0.11 -1.27 0.00 0.00 0.00 0.00 0.00 60.65 59.49 1x45 s ILE 61 Cb -0.03 -1.80 0.00 0.00 0.01 0.00 0.00 42.46 40.64 1x45 s ILE 61 CO 0.03 -0.18 0.00 0.59 0.00 0.00 0.00 174.94 175.38 1x45 n ASN 62 N 4.68 -4.72 0.00 3.58 3.02 0.21 -0.90 115.26 121.13 1x45 n ASN 62 Ca -0.10 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1x45 n ASN 62 Cb 0.44 -3.97 0.00 0.00 -0.61 0.00 0.00 39.78 35.64 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 -0.89 0.83 2.99 7.41 0.00 -1.26 -5.04 105.19 109.22 1x45 n GLY 63 Ca -0.19 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 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 2.52 0.38 2.61 2.01 -0.07 -5.09 115.64 115.99 1x45 s THR 64 Ca 0.00 -2.90 -0.25 0.00 0.31 0.00 0.00 61.69 58.85 1x45 s THR 64 Cb 0.00 -2.79 -0.12 0.00 0.01 0.00 0.00 72.50 69.60 1x45 s THR 64 CO 0.00 -0.72 0.94 -0.24 -0.69 0.00 0.00 174.62 173.91 1x45 n SER 65 N 3.61 0.97 -0.04 3.53 2.88 -1.26 -1.37 113.62 121.93 1x45 n SER 65 Ca 0.05 1.06 0.05 0.00 -1.33 0.00 0.00 58.87 58.70 1x45 n SER 65 Cb 0.36 -1.30 -0.04 0.00 -0.75 0.00 0.00 64.21 62.48 1x45 n SER 65 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1x45 n LEU 66 N 0.84 0.60 -4.60 2.46 4.77 -1.19 -4.87 117.00 115.02 1x45 n LEU 66 Ca 0.10 -0.55 -0.51 0.00 -0.03 0.00 0.00 56.01 55.01 1x45 n LEU 66 Cb 0.37 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.40 1x45 n LEU 66 CO 0.58 0.14 1.59 0.52 -1.33 0.00 0.00 177.39 178.88 1x45 n VAL 67 N -1.04 0.36 0.00 4.08 0.31 -1.26 -0.52 118.33 120.26 1x45 n VAL 67 Ca 0.02 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1x45 n VAL 67 Cb 0.16 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 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 5.22 2.81 3.77 2.92 0.00 -1.25 -5.05 105.19 113.61 1x45 n GLY 68 Ca 0.31 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 1x45 n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x45 s LEU 69 N 0.00 4.19 0.81 0.99 1.43 0.32 -5.00 118.68 121.42 1x45 s LEU 69 Ca 0.00 2.69 -0.11 0.00 -1.03 0.00 0.00 54.13 55.68 1x45 s LEU 69 Cb 0.00 -3.92 0.08 0.00 0.03 0.00 0.00 46.19 42.38 1x45 s LEU 69 CO 0.00 -0.91 1.09 -2.16 0.23 0.00 0.00 176.35 174.60 1x45 s PRO 70 N -2.29 1.98 0.25 1.29 0.04 -1.26 -4.77 135.00 130.23 1x45 s PRO 70 Ca 0.58 1.07 -0.06 0.00 0.04 0.00 0.00 61.00 62.63 1x45 s PRO 70 Cb -0.39 -1.87 0.26 0.00 0.04 0.00 0.00 34.50 32.54 1x45 s PRO 70 CO 0.50 -1.81 1.92 1.25 0.04 0.00 0.00 177.00 178.89 1x45 h LEU 71 N -1.25 1.10 -0.71 -3.56 5.85 -1.94 -0.57 115.31 114.23 1x45 h LEU 71 Ca -0.45 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 1x45 h LEU 71 Cb 1.25 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 1x45 h LEU 71 CO 0.52 0.79 0.36 0.77 -0.34 0.00 0.00 178.44 180.54 1x45 h SER 72 N 1.29 0.91 0.57 1.25 4.64 -1.99 -2.07 113.55 118.15 1x45 h SER 72 Ca 0.36 -0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.54 1x45 h SER 72 Cb -0.11 -0.23 0.01 0.00 -0.31 0.00 0.00 62.40 61.75 1x45 h SER 72 CO -0.09 0.77 -0.27 0.74 -0.87 0.00 0.00 176.83 177.11 1x45 h THR 73 N 0.99 0.00 -1.01 2.95 2.02 -1.79 -2.95 112.91 113.12 1x45 h THR 73 Ca 0.25 -0.40 0.32 0.00 0.77 0.00 0.00 66.41 67.35 1x45 h THR 73 Cb 0.08 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.34 1x45 h THR 73 CO -0.04 0.00 0.58 0.00 0.37 0.00 0.00 175.52 176.43 1x45 h GLN 75 N 0.32 -0.50 -0.84 0.00 4.20 -1.36 -2.59 115.11 114.35 1x45 h GLN 75 Ca 0.73 0.03 0.20 0.00 0.06 0.00 0.00 58.65 59.68 1x45 h GLN 75 Cb 1.69 0.11 -0.12 0.00 0.30 0.00 0.00 27.48 29.46 1x45 h GLN 75 CO -0.59 -0.33 0.28 1.03 -0.67 0.00 0.00 178.83 178.54 1x45 h SER 76 N -0.52 0.13 0.01 1.46 0.87 -0.66 0.71 113.55 115.56 1x45 h SER 76 Ca -0.04 0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 1x45 h SER 76 Cb 0.42 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 1x45 h SER 76 CO 0.05 -0.05 -0.04 0.40 -0.53 0.00 0.00 176.83 176.66 1x45 h ILE 77 N 0.31 1.07 0.00 2.23 2.04 -1.16 -1.34 117.51 120.67 1x45 h ILE 77 Ca 0.51 -0.30 -0.07 0.00 1.00 0.00 0.00 64.86 65.99 1x45 h ILE 77 Cb 0.94 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 1x45 h ILE 77 CO -0.56 0.09 -0.76 0.40 0.00 0.00 0.00 178.15 177.33 1x45 h ILE 78 N 0.09 0.34 0.00 -0.67 2.04 0.62 -3.29 117.51 116.63 1x45 h ILE 78 Ca 0.02 -1.56 -0.10 0.00 1.00 0.00 0.00 64.86 64.23 1x45 h ILE 78 Cb 0.14 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1x45 h ILE 78 CO 0.01 0.20 -0.46 0.11 0.00 0.00 0.00 178.15 178.00 1x45 h LYS 79 N 0.00 0.00 -0.94 2.37 1.57 0.43 -3.21 116.57 116.79 1x45 h LYS 79 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1x45 h LYS 79 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1x45 h LYS 79 CO 0.03 0.46 0.00 0.41 -0.57 0.00 0.00 179.45 179.78 1x45 n GLY 80 N 1.15 1.57 0.11 3.86 0.00 -0.60 -3.24 105.19 108.04 1x45 n GLY 80 Ca 0.02 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 0.04 1.19 -0.09 0.99 4.77 -1.21 -4.42 117.00 118.28 1x45 n LEU 81 Ca 0.02 -0.56 -0.09 0.00 -0.03 0.00 0.00 56.01 55.35 1x45 n LEU 81 Cb 0.32 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 1x45 n LEU 81 CO 0.03 0.27 0.99 0.50 -1.33 0.00 0.00 177.39 177.84 1x45 h LYS 82 N 0.56 0.37 0.00 3.23 3.64 -1.70 -0.80 116.57 121.88 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 0.53 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1x45 h LYS 82 CO 0.00 0.24 0.00 -0.91 -2.27 0.00 0.00 179.45 176.51 1x45 h ASN 83 N 0.38 0.00 -3.21 4.20 4.21 -1.82 0.40 115.58 119.74 1x45 h ASN 83 Ca 0.12 0.00 -0.64 0.00 1.21 0.00 0.00 56.30 56.99 1x45 h ASN 83 Cb -0.01 0.00 -0.15 0.00 -1.12 0.00 0.00 38.32 37.03 1x45 h ASN 83 CO -0.05 0.00 -0.74 0.00 -1.29 0.00 0.00 177.43 175.35 1x45 s GLN 84 N -3.59 2.00 -0.14 0.81 -2.07 -0.30 -4.61 119.66 111.76 1x45 s GLN 84 Ca -0.02 -1.23 -0.12 0.00 -1.82 0.00 0.00 55.36 52.17 1x45 s GLN 84 Cb 0.07 -2.16 -0.04 0.00 -1.09 0.00 0.00 33.01 29.79 1x45 s GLN 84 CO 0.24 0.45 -0.23 -1.13 -1.32 0.00 0.00 175.29 173.30 1x45 n SER 85 N 0.26 1.71 -4.73 12.60 3.41 -1.26 -4.25 113.62 121.37 1x45 n SER 85 Ca -0.12 0.48 -0.39 0.00 -0.26 0.00 0.00 58.87 58.57 1x45 n SER 85 Cb 0.55 -0.79 -0.05 0.00 -0.26 0.00 0.00 64.21 63.65 1x45 n SER 85 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1x45 s ARG 86 N -2.40 4.39 -0.02 4.33 3.52 -1.26 -1.56 118.95 125.95 1x45 s ARG 86 Ca -0.19 0.75 -0.01 0.00 -0.13 0.00 0.00 55.73 56.15 1x45 s ARG 86 Cb 0.03 -3.42 0.02 0.00 -1.56 0.00 0.00 34.95 30.01 1x45 s ARG 86 CO 0.28 0.16 0.04 0.08 -0.81 0.00 0.00 175.30 175.05 1x45 s VAL 87 N 0.51 -0.03 -0.20 7.11 1.01 -1.09 -5.01 120.40 122.71 1x45 s VAL 87 Ca 0.33 0.11 -0.09 0.00 0.00 0.00 0.00 61.98 62.33 1x45 s VAL 87 Cb -0.17 -0.07 -0.05 0.00 0.00 0.00 0.00 36.38 36.09 1x45 s VAL 87 CO 0.16 0.04 0.11 -0.75 0.00 0.00 0.00 175.10 174.66 1x45 s LYS 88 N 0.55 4.12 -0.04 2.72 2.20 -1.26 -1.47 119.74 126.56 1x45 s LYS 88 Ca -0.05 -0.26 -0.04 0.00 -0.36 0.00 0.00 55.97 55.26 1x45 s LYS 88 Cb -0.06 -3.36 0.01 0.00 -1.51 0.00 0.00 37.83 32.91 1x45 s LYS 88 CO -0.02 0.29 0.11 -0.51 -0.36 0.00 0.00 175.35 174.86 1x45 s LEU 89 N 0.38 1.58 -0.26 5.43 1.43 0.45 0.65 118.68 128.34 1x45 s LEU 89 Ca 0.06 0.16 -0.18 0.00 -1.03 0.00 0.00 54.13 53.15 1x45 s LEU 89 Cb -0.11 0.42 -0.03 0.00 0.03 0.00 0.00 46.19 46.49 1x45 s LEU 89 CO -0.01 -0.08 0.52 0.21 0.23 0.00 0.00 176.35 177.21 1x45 s ASN 90 N -0.14 6.44 0.03 2.29 3.04 -0.78 0.43 114.94 126.26 1x45 s ASN 90 Ca -0.02 0.53 0.04 0.00 0.04 0.00 0.00 52.86 53.45 1x45 s ASN 90 Cb -0.02 -2.28 -0.04 0.00 -1.54 0.00 0.00 41.25 37.37 1x45 s ASN 90 CO 0.00 -0.28 -0.04 -0.63 -3.04 0.00 0.00 177.10 173.11 1x45 s ILE 91 N 2.28 3.82 -0.22 -5.21 -1.09 -0.75 0.53 121.20 120.56 1x45 s ILE 91 Ca 0.21 -0.84 -0.03 0.00 -2.23 0.00 0.00 60.65 57.76 1x45 s ILE 91 Cb -0.16 -2.72 0.10 0.00 -1.58 0.00 0.00 42.46 38.10 1x45 s ILE 91 CO 0.09 0.29 0.24 -0.69 -1.23 0.00 0.00 174.94 173.64 1x45 s VAL 92 N -1.11 -0.34 -0.37 2.92 1.01 0.12 -1.48 120.40 121.14 1x45 s VAL 92 Ca 0.20 -0.20 -0.34 0.00 0.00 0.00 0.00 61.98 61.64 1x45 s VAL 92 Cb -0.11 -0.75 -0.15 0.00 0.00 0.00 0.00 36.38 35.37 1x45 s VAL 92 CO 0.11 -0.26 1.33 -0.24 0.00 0.00 0.00 175.10 176.04 1x45 n SER 93 N 5.32 0.78 -3.42 3.32 2.88 -1.26 -2.48 113.62 118.75 1x45 n SER 93 Ca -0.05 0.75 0.00 0.00 -1.33 0.00 0.00 58.87 58.24 1x45 n SER 93 Cb 0.49 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 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 3.89 -2.82 0.06 0.46 0.00 -1.21 -4.81 105.19 100.76 1x45 n GLY 94 Ca 0.29 -0.95 -0.01 0.00 0.00 0.00 0.00 46.02 45.36 1x45 n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x45 n PRO 95 N -0.46 -1.06 -3.53 1.61 -0.04 -1.26 -5.00 135.00 125.25 1x45 n PRO 95 Ca 0.00 -0.03 -0.17 0.00 -0.04 0.00 0.00 63.50 63.27 1x45 n PRO 95 Cb 0.00 -0.03 -0.13 0.00 -0.04 0.00 0.00 33.50 33.30 1x45 n PRO 95 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x45 s SER 96 N -1.56 1.04 -1.64 3.54 1.04 -1.26 -4.89 113.70 109.97 1x45 s SER 96 Ca 0.01 0.01 -0.14 0.00 0.48 0.00 0.00 55.95 56.31 1x45 s SER 96 Cb -0.00 0.49 0.12 0.00 0.10 0.00 0.00 66.02 66.73 1x45 s SER 96 CO 0.01 -0.30 0.71 -0.24 0.98 0.00 0.00 173.24 174.40 1x45 n SER 97 N 5.33 -2.70 0.00 7.02 2.88 -1.26 -5.20 113.62 119.69 1x45 n SER 97 Ca -0.05 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.48 1x45 n SER 97 Cb 0.50 -2.85 0.00 0.00 -0.75 0.00 0.00 64.21 61.11 1x45 n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42