#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 6.76 -0.18 1.61 0.01 -1.26 -4.95 113.70 115.69 1x45 s SER 2 Ca 0.00 -2.43 -0.07 0.00 1.31 0.00 0.00 55.95 54.76 1x45 s SER 2 Cb 0.00 -2.34 0.08 0.00 0.21 0.00 0.00 66.02 63.97 1x45 s SER 2 CO 0.00 -0.84 0.39 -0.55 0.41 0.00 0.00 173.24 172.65 1x45 s SER 3 N 2.99 -0.25 0.00 2.44 0.15 -1.26 -5.12 113.70 112.65 1x45 s SER 3 Ca 0.30 0.90 0.00 0.00 0.70 0.00 0.00 55.95 57.84 1x45 s SER 3 Cb -0.06 1.07 0.00 0.00 -1.71 0.00 0.00 66.02 65.32 1x45 s SER 3 CO -0.08 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.75 1x45 n GLY 4 N 5.03 3.60 3.53 9.45 0.00 -1.26 -5.14 105.19 120.39 1x45 n GLY 4 Ca -0.13 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 1x45 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x45 s SER 5 N 0.00 -0.06 -1.50 1.61 1.04 -1.26 -4.85 113.70 108.68 1x45 s SER 5 Ca 0.00 -0.97 -0.07 0.00 0.48 0.00 0.00 55.95 55.40 1x45 s SER 5 Cb 0.00 0.56 0.05 0.00 0.10 0.00 0.00 66.02 66.73 1x45 s SER 5 CO 0.00 -1.09 0.59 -1.20 0.98 0.00 0.00 173.24 172.52 1x45 n SER 6 N -0.36 -1.64 -0.64 7.02 7.64 -1.25 -4.88 113.62 119.51 1x45 n SER 6 Ca -0.02 -0.97 0.00 0.00 1.01 0.00 0.00 58.87 58.89 1x45 n SER 6 Cb 0.62 -3.12 0.00 0.00 -1.01 0.00 0.00 64.21 60.71 1x45 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x45 n GLY 7 N -1.78 1.56 3.68 0.23 0.00 -0.30 -4.85 105.19 103.74 1x45 n GLY 7 Ca -0.17 -0.84 -0.45 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.36 3.62 -4.39 1.61 5.68 -1.26 -2.17 116.55 119.27 1x45 n ASP 8 Ca 0.00 1.03 -0.30 0.00 -0.50 0.00 0.00 54.79 55.02 1x45 n ASP 8 Cb 0.00 -1.48 -0.14 0.00 -1.14 0.00 0.00 41.12 38.37 1x45 n ASP 8 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1x45 s VAL 9 N 2.17 2.33 -0.22 2.12 1.01 0.17 -4.93 120.40 123.05 1x45 s VAL 9 Ca 0.82 -1.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 1x45 s VAL 9 Cb -0.59 -1.98 0.06 0.00 0.00 0.00 0.00 36.38 33.88 1x45 s VAL 9 CO 0.39 0.24 -0.01 -0.36 0.00 0.00 0.00 175.10 175.37 1x45 s PHE 10 N -0.94 1.80 -0.45 5.22 0.08 -1.26 -0.80 117.98 121.63 1x45 s PHE 10 Ca 0.13 -1.38 -0.20 0.00 0.12 0.00 0.00 56.93 55.61 1x45 s PHE 10 Cb -0.10 -1.35 0.03 0.00 -0.57 0.00 0.00 43.02 41.03 1x45 s PHE 10 CO 0.05 -0.71 0.61 0.42 -0.10 0.00 0.00 175.22 175.49 1x45 s ILE 11 N 1.60 4.87 -0.45 0.64 -1.09 -0.22 -4.93 121.20 121.61 1x45 s ILE 11 Ca -0.03 -0.06 -0.21 0.00 -2.23 0.00 0.00 60.65 58.12 1x45 s ILE 11 Cb -0.18 -4.20 0.03 0.00 -1.58 0.00 0.00 42.46 36.53 1x45 s ILE 11 CO -0.07 -0.61 0.68 -1.61 -1.23 0.00 0.00 174.94 172.09 1x45 s GLU 12 N 2.70 3.29 0.19 2.79 2.02 -1.26 -1.95 118.70 126.47 1x45 s GLU 12 Ca 0.20 -0.37 0.03 0.00 0.02 0.00 0.00 54.97 54.84 1x45 s GLU 12 Cb -0.15 -3.97 -0.01 0.00 0.10 0.00 0.00 34.13 30.10 1x45 s GLU 12 CO 0.17 -1.07 0.09 0.36 0.02 0.00 0.00 175.26 174.83 1x45 n LYS 13 N 6.39 0.59 -4.24 1.61 2.85 0.54 -4.93 118.16 120.97 1x45 n LYS 13 Ca -0.01 -1.70 -0.31 0.00 -1.05 0.00 0.00 58.31 55.23 1x45 n LYS 13 Cb 0.48 1.06 -0.09 0.00 -0.65 0.00 0.00 35.03 35.83 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 -2.74 2.63 0.76 -1.58 1.11 -1.26 -4.15 119.66 114.42 1x45 s GLN 14 Ca 0.13 -0.74 -0.15 0.00 0.01 0.00 0.00 55.36 54.61 1x45 s GLN 14 Cb 0.01 -2.58 0.04 0.00 -1.01 0.00 0.00 33.01 29.47 1x45 s GLN 14 CO 0.09 0.58 1.08 1.63 0.01 0.00 0.00 175.29 178.69 1x45 n LYS 15 N 1.02 0.41 0.00 2.91 5.02 -1.26 -2.47 118.16 123.79 1x45 n LYS 15 Ca -0.13 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1x45 n LYS 15 Cb 0.52 -2.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.20 1x45 n LYS 15 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x45 n GLY 16 N 0.86 2.44 3.87 0.72 0.00 0.36 -4.97 105.19 108.47 1x45 n GLY 16 Ca 0.13 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 3.76 0.62 1.61 0.41 -1.03 -4.90 118.70 119.17 1x45 s GLU 17 Ca 0.00 0.56 -0.02 0.00 -0.41 0.00 0.00 54.97 55.10 1x45 s GLU 17 Cb 0.00 -2.30 0.06 0.00 -1.78 0.00 0.00 34.13 30.10 1x45 s GLU 17 CO 0.00 -0.17 0.88 0.96 -0.49 0.00 0.00 175.26 176.44 1x45 s ILE 18 N -2.57 2.47 -2.00 -1.63 -4.36 -1.26 -4.15 121.20 107.70 1x45 s ILE 18 Ca 0.53 -0.53 0.14 0.00 -0.26 0.00 0.00 60.65 60.53 1x45 s ILE 18 Cb -0.10 -2.94 0.41 0.00 1.25 0.00 0.00 42.46 41.07 1x45 s ILE 18 CO 0.36 0.00 1.35 -0.11 0.24 0.00 0.00 174.94 176.78 1x45 n LEU 19 N -2.60 0.00 -3.88 0.37 7.94 -1.26 -4.47 117.00 113.11 1x45 n LEU 19 Ca 0.09 0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 54.75 1x45 n LEU 19 Cb 0.60 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.48 1x45 n LEU 19 CO 0.47 0.00 -0.35 0.61 -1.11 0.00 0.00 177.39 177.00 1x45 n GLY 20 N 0.34 -0.11 3.29 -3.96 0.00 -1.26 -3.32 105.19 100.17 1x45 n GLY 20 Ca 0.11 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 -4.04 0.01 -0.05 1.61 0.11 -1.26 -2.08 120.40 114.70 1x45 s VAL 21 Ca 0.01 -0.07 -0.01 0.00 -2.93 0.00 0.00 61.98 58.99 1x45 s VAL 21 Cb -0.01 -0.58 -0.03 0.00 -1.53 0.00 0.00 36.38 34.22 1x45 s VAL 21 CO 0.75 -0.04 0.02 -0.69 -3.33 0.00 0.00 175.10 171.82 1x45 s VAL 22 N -0.05 4.38 0.27 2.04 1.01 0.33 -5.00 120.40 123.38 1x45 s VAL 22 Ca -0.02 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 61.66 1x45 s VAL 22 Cb -0.03 -2.90 -0.06 0.00 0.00 0.00 0.00 36.38 33.39 1x45 s VAL 22 CO 0.01 0.49 -0.06 0.27 0.00 0.00 0.00 175.10 175.82 1x45 s ILE 23 N -1.00 1.64 0.33 2.22 -4.36 -1.26 -0.15 121.20 118.63 1x45 s ILE 23 Ca 0.17 -2.13 -0.11 0.00 -0.26 0.00 0.00 60.65 58.32 1x45 s ILE 23 Cb -0.12 -2.43 0.02 0.00 1.25 0.00 0.00 42.46 41.19 1x45 s ILE 23 CO 0.07 -0.31 0.61 0.68 0.24 0.00 0.00 174.94 176.22 1x45 s VAL 24 N -3.01 0.00 0.19 8.37 -7.23 -0.05 -4.71 120.40 113.95 1x45 s VAL 24 Ca 0.29 -1.30 -0.32 0.00 -1.81 0.00 0.00 61.98 58.84 1x45 s VAL 24 Cb 0.03 -2.57 -0.11 0.00 0.56 0.00 0.00 36.38 34.29 1x45 s VAL 24 CO 0.12 0.00 1.66 -1.61 -0.31 0.00 0.00 175.10 174.96 1x45 s GLU 25 N -3.08 4.16 -0.15 4.82 2.02 -1.26 -1.84 118.70 123.36 1x45 s GLU 25 Ca 0.22 2.52 0.03 0.00 0.02 0.00 0.00 54.97 57.75 1x45 s GLU 25 Cb -0.03 -3.10 0.28 0.00 0.10 0.00 0.00 34.13 31.39 1x45 s GLU 25 CO 0.14 -0.70 1.26 0.45 0.02 0.00 0.00 175.26 176.43 1x45 n SER 26 N 3.98 3.18 -2.40 -0.19 2.88 -1.26 -4.53 113.62 115.28 1x45 n SER 26 Ca 0.15 -2.56 -0.24 0.00 -1.33 0.00 0.00 58.87 54.88 1x45 n SER 26 Cb 0.36 -0.62 -0.07 0.00 -0.75 0.00 0.00 64.21 63.14 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 -0.04 4.15 1.89 0.46 0.00 -1.26 -4.20 105.19 106.19 1x45 n GLY 27 Ca 0.20 -1.76 -0.21 0.00 0.00 0.00 0.00 46.02 44.25 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 1.08 2.44 -1.14 1.61 7.02 -1.26 -4.84 117.44 122.35 1x45 n TRP 28 Ca 0.47 -2.23 0.00 0.00 -1.02 0.00 0.00 57.50 54.73 1x45 n TRP 28 Cb 0.60 -0.83 0.00 0.00 -2.42 0.00 0.00 31.31 28.66 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 -0.98 1.05 3.87 6.99 0.00 -1.26 -4.92 105.19 109.95 1x45 n GLY 29 Ca 0.49 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.49 4.91 -0.06 1.61 0.15 -1.26 -4.79 113.70 111.77 1x45 s SER 30 Ca 0.00 -0.86 -0.04 0.00 0.70 0.00 0.00 55.95 55.75 1x45 s SER 30 Cb 0.00 -0.40 -0.02 0.00 -1.71 0.00 0.00 66.02 63.88 1x45 s SER 30 CO 0.00 -0.72 0.21 0.40 1.20 0.00 0.00 173.24 174.33 1x45 h ILE 31 N 1.02 0.00 -3.31 6.45 5.03 -1.99 -3.42 117.51 121.29 1x45 h ILE 31 Ca -0.41 -0.68 -0.76 0.00 -0.12 0.00 0.00 64.86 62.89 1x45 h ILE 31 Cb 1.27 0.00 -0.26 0.00 -3.03 0.00 0.00 36.82 34.80 1x45 h ILE 31 CO 0.58 0.00 -0.19 -0.76 -0.68 0.00 0.00 178.15 177.10 1x45 s LEU 32 N -7.81 6.17 -0.99 1.44 2.01 -1.26 -5.01 118.68 113.23 1x45 s LEU 32 Ca -0.02 -2.05 -0.24 0.00 0.01 0.00 0.00 54.13 51.82 1x45 s LEU 32 Cb 0.00 -2.15 -0.06 0.00 0.01 0.00 0.00 46.19 43.99 1x45 s LEU 32 CO 0.07 -0.74 1.94 -2.16 1.01 0.00 0.00 176.35 176.47 1x45 s PRO 33 N 1.17 2.53 0.00 1.29 0.04 -1.26 -4.68 135.00 134.10 1x45 s PRO 33 Ca 0.07 -0.56 0.00 0.00 0.04 0.00 0.00 61.00 60.55 1x45 s PRO 33 Cb -0.25 -5.12 0.00 0.00 0.04 0.00 0.00 34.50 29.18 1x45 s PRO 33 CO -0.01 -3.57 0.00 0.25 0.04 0.00 0.00 177.00 173.72 1x45 n THR 34 N 7.86 0.00 -3.64 1.26 -2.24 -1.26 -3.70 114.28 112.55 1x45 n THR 34 Ca 0.42 0.11 -0.04 0.00 -2.27 0.00 0.00 64.05 62.27 1x45 n THR 34 Cb 0.47 -0.98 -0.06 0.00 -2.10 0.00 0.00 70.33 67.65 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 -0.41 0.00 0.15 2.28 -7.23 -1.26 -4.25 120.40 109.68 1x45 s VAL 35 Ca 0.00 0.00 0.05 0.00 -1.81 0.00 0.00 61.98 60.22 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 -0.11 0.27 -0.31 0.00 0.00 175.10 174.95 1x45 s ILE 36 N -0.29 1.24 -0.12 -0.62 -4.36 -0.77 0.02 121.20 116.31 1x45 s ILE 36 Ca 0.06 -2.04 -0.29 0.00 -0.26 0.00 0.00 60.65 58.12 1x45 s ILE 36 Cb -0.04 -1.83 -0.03 0.00 1.25 0.00 0.00 42.46 41.82 1x45 s ILE 36 CO -0.11 -0.70 1.32 -0.63 0.24 0.00 0.00 174.94 175.06 1x45 s ILE 37 N -3.16 4.14 -0.09 8.37 1.09 -0.69 -0.88 121.20 129.97 1x45 s ILE 37 Ca 0.16 1.40 0.15 0.00 -1.10 0.00 0.00 60.65 61.26 1x45 s ILE 37 Cb 0.01 -3.90 -0.22 0.00 -1.06 0.00 0.00 42.46 37.30 1x45 s ILE 37 CO 0.01 -0.10 0.58 0.00 -0.10 0.00 0.00 174.94 175.34 1x45 n ALA 38 N 6.39 1.63 -3.58 9.38 0.00 0.79 -2.44 120.51 132.69 1x45 n ALA 38 Ca 0.14 -0.82 -0.11 0.00 0.00 0.00 0.00 53.44 52.65 1x45 n ALA 38 Cb 0.45 -0.74 -0.05 0.00 0.00 0.00 0.00 19.45 19.10 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 -5.86 -0.42 -0.13 0.00 2.47 -1.22 -4.97 114.94 104.82 1x45 s ASN 39 Ca -0.05 0.50 0.01 0.00 0.42 0.00 0.00 52.86 53.74 1x45 s ASN 39 Cb 0.08 0.41 -0.01 0.00 -1.45 0.00 0.00 41.25 40.28 1x45 s ASN 39 CO 0.83 -0.35 -0.17 -0.04 -3.72 0.00 0.00 177.10 173.64 1x45 s MET 40 N -0.94 3.23 0.71 0.43 -1.94 -1.26 -0.51 119.30 119.01 1x45 s MET 40 Ca -0.02 -0.77 -0.16 0.00 -1.71 0.00 0.00 55.69 53.03 1x45 s MET 40 Cb -0.01 -2.52 -0.03 0.00 2.01 0.00 0.00 34.83 34.28 1x45 s MET 40 CO 0.02 0.15 0.69 -0.12 -0.01 0.00 0.00 175.02 175.75 1x45 n MET 41 N 3.66 0.40 -0.65 2.03 1.56 -0.88 -4.84 117.12 118.40 1x45 n MET 41 Ca -0.19 0.18 -0.10 0.00 -0.27 0.00 0.00 57.70 57.33 1x45 n MET 41 Cb 0.53 -1.96 0.03 0.00 2.15 0.00 0.00 33.22 33.97 1x45 n MET 41 CO 0.00 0.00 0.00 -2.39 -0.73 0.00 0.00 175.97 172.85 1x45 n HIS 42 N -2.36 0.99 0.00 1.12 1.44 -1.26 -3.88 115.22 111.27 1x45 n HIS 42 Ca 0.11 -1.43 0.00 0.00 -2.01 0.00 0.00 57.72 54.39 1x45 n HIS 42 Cb 0.49 -0.70 0.00 0.00 0.12 0.00 0.00 29.99 29.90 1x45 n HIS 42 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1x45 n GLY 43 N 0.54 0.00 3.88 -1.39 0.00 -1.26 -5.13 105.19 101.83 1x45 n GLY 43 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 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 2.32 0.21 -0.02 0.00 -1.25 -5.00 105.19 101.45 1x45 n GLY 44 Ca 0.00 -2.26 -0.05 0.00 0.00 0.00 0.00 46.02 43.71 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 0.41 -0.04 1.61 0.13 -1.78 -2.41 132.00 129.92 1x45 h PRO 45 Ca -0.31 -0.21 -0.15 0.00 -0.87 0.00 0.00 66.00 64.46 1x45 h PRO 45 Cb 1.27 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.41 1x45 h PRO 45 CO 0.46 0.78 -0.56 0.00 -0.23 0.00 0.00 178.00 178.45 1x45 h ALA 46 N 1.20 0.13 -0.17 -0.56 0.00 -1.77 0.11 119.26 118.20 1x45 h ALA 46 Ca 0.03 -0.54 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 1x45 h ALA 46 Cb 0.91 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1x45 h ALA 46 CO 0.08 0.36 -0.07 1.49 0.00 0.00 0.00 179.25 181.10 1x45 h GLU 47 N -0.01 0.26 0.07 0.00 4.57 -1.76 -2.71 114.58 115.00 1x45 h GLU 47 Ca -0.06 -0.05 -0.30 0.00 -1.18 0.00 0.00 59.36 57.78 1x45 h GLU 47 Cb 1.24 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.76 1x45 h GLU 47 CO 0.11 0.35 -1.57 0.87 -1.18 0.00 0.00 179.01 177.59 1x45 h LYS 48 N 0.25 0.14 -0.97 1.92 1.57 -1.45 -3.34 116.57 114.69 1x45 h LYS 48 Ca 0.05 -0.24 0.10 0.00 -1.87 0.00 0.00 60.65 58.69 1x45 h LYS 48 Cb 0.30 0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.62 1x45 h LYS 48 CO 0.01 0.92 0.62 0.66 -0.57 0.00 0.00 179.45 181.10 1x45 h SER 49 N 0.04 0.92 -0.44 0.86 4.64 -0.46 -3.45 113.55 115.66 1x45 h SER 49 Ca -0.25 0.03 -0.19 0.00 -0.47 0.00 0.00 61.79 60.92 1x45 h SER 49 Cb 1.99 -0.16 -0.07 0.00 -0.31 0.00 0.00 62.40 63.84 1x45 h SER 49 CO 0.12 0.53 -0.17 0.61 -0.87 0.00 0.00 176.83 177.05 1x45 n GLY 50 N -1.37 0.92 0.07 -0.77 0.00 -1.08 -4.82 105.19 98.14 1x45 n GLY 50 Ca 0.17 -0.06 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 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 0.05 0.00 0.00 1.61 1.79 -1.88 -3.47 116.57 114.67 1x45 h LYS 51 Ca -0.19 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.68 1x45 h LYS 51 Cb 1.06 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.64 1x45 h LYS 51 CO 0.27 0.91 -0.34 1.47 -1.08 0.00 0.00 179.45 180.69 1x45 n LEU 52 N -3.31 0.00 -3.65 2.94 -0.00 -1.26 -4.74 117.00 106.98 1x45 n LEU 52 Ca -0.02 -2.95 -0.15 0.00 -0.00 0.00 0.00 56.01 52.89 1x45 n LEU 52 Cb 0.94 0.08 -0.07 0.00 -0.00 0.00 0.00 43.42 44.37 1x45 n LEU 52 CO 0.46 -0.54 0.22 0.20 -0.00 0.00 0.00 177.39 177.73 1x45 s ASN 53 N -4.07 -0.42 -0.49 1.45 0.01 -1.26 -5.07 114.94 105.09 1x45 s ASN 53 Ca 0.21 0.43 -0.34 0.00 -0.71 0.00 0.00 52.86 52.45 1x45 s ASN 53 Cb -0.02 0.46 -0.13 0.00 0.41 0.00 0.00 41.25 41.97 1x45 s ASN 53 CO 0.14 -0.50 2.30 -0.38 -1.51 0.00 0.00 177.10 177.15 1x45 n ILE 54 N 1.21 0.10 0.00 0.60 2.08 -1.26 -0.49 119.36 121.59 1x45 n ILE 54 Ca -0.20 -0.27 0.00 0.00 0.56 0.00 0.00 62.75 62.84 1x45 n ILE 54 Cb 0.56 -1.52 0.00 0.00 -0.75 0.00 0.00 39.64 37.93 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 6.55 0.89 3.68 7.39 0.00 -1.02 -4.51 105.19 118.17 1x45 n GLY 55 Ca 0.46 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 46.03 1x45 n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x45 n ASP 56 N 0.00 1.42 -4.48 1.61 9.92 0.35 -3.78 116.55 121.59 1x45 n ASP 56 Ca 0.00 0.80 -0.30 0.00 -0.53 0.00 0.00 54.79 54.76 1x45 n ASP 56 Cb 0.00 -1.48 -0.12 0.00 -0.64 0.00 0.00 41.12 38.88 1x45 n ASP 56 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x45 s GLN 57 N -3.17 1.83 -0.26 -1.24 -2.07 -1.03 -1.71 119.66 112.02 1x45 s GLN 57 Ca 0.80 -1.15 -0.12 0.00 -1.82 0.00 0.00 55.36 53.07 1x45 s GLN 57 Cb -0.39 -2.13 -0.05 0.00 -1.09 0.00 0.00 33.01 29.36 1x45 s GLN 57 CO 0.43 0.49 0.25 0.42 -1.32 0.00 0.00 175.29 175.57 1x45 s ILE 58 N -1.11 5.28 0.02 3.63 1.01 0.10 0.19 121.20 130.32 1x45 s ILE 58 Ca 0.17 0.34 -0.19 0.00 0.00 0.00 0.00 60.65 60.97 1x45 s ILE 58 Cb -0.11 -3.59 -0.23 0.00 0.01 0.00 0.00 42.46 38.55 1x45 s ILE 58 CO 0.09 0.25 1.13 0.24 0.00 0.00 0.00 174.94 176.66 1x45 h MET 59 N 7.96 0.46 -3.64 2.79 2.86 -0.47 -3.38 114.93 121.52 1x45 h MET 59 Ca -0.35 -0.48 -0.12 0.00 -2.06 0.00 0.00 59.70 56.69 1x45 h MET 59 Cb 1.17 0.13 -0.06 0.00 0.06 0.00 0.00 31.60 32.90 1x45 h MET 59 CO 0.62 1.12 -0.03 -1.54 1.06 0.00 0.00 176.91 178.14 1x45 s SER 60 N -6.80 0.31 -0.27 1.22 1.04 -1.24 -2.86 113.70 105.09 1x45 s SER 60 Ca -0.13 -1.18 -0.02 0.00 0.48 0.00 0.00 55.95 55.10 1x45 s SER 60 Cb 0.04 0.69 0.09 0.00 0.10 0.00 0.00 66.02 66.94 1x45 s SER 60 CO 0.83 -1.35 0.09 -0.63 0.98 0.00 0.00 173.24 173.17 1x45 s ILE 61 N -3.23 0.51 -1.74 -1.02 1.01 -0.61 -2.52 121.20 113.59 1x45 s ILE 61 Ca 0.23 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.90 1x45 s ILE 61 Cb -0.02 -1.29 0.00 0.00 0.01 0.00 0.00 42.46 41.16 1x45 s ILE 61 CO 0.14 -0.56 0.00 0.59 0.00 0.00 0.00 174.94 175.11 1x45 n ASN 62 N 5.02 -5.02 0.00 3.58 3.02 0.15 -1.06 115.26 120.94 1x45 n ASN 62 Ca -0.05 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 1x45 n ASN 62 Cb 0.44 -4.35 0.00 0.00 -0.61 0.00 0.00 39.78 35.26 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 -0.64 1.06 3.11 7.41 0.00 -1.26 -5.05 105.19 109.82 1x45 n GLY 63 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 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 3.42 0.26 2.61 2.01 -0.22 -5.08 115.64 116.63 1x45 s THR 64 Ca 0.00 -2.38 -0.30 0.00 0.31 0.00 0.00 61.69 59.32 1x45 s THR 64 Cb 0.00 -3.30 -0.14 0.00 0.01 0.00 0.00 72.50 69.07 1x45 s THR 64 CO 0.00 -0.76 1.26 -1.20 -0.69 0.00 0.00 174.62 173.24 1x45 n SER 65 N 4.20 2.22 -0.08 3.53 7.64 -1.26 -1.57 113.62 128.30 1x45 n SER 65 Ca 0.01 1.16 -0.08 0.00 1.01 0.00 0.00 58.87 60.97 1x45 n SER 65 Cb 0.40 -1.37 -0.12 0.00 -1.01 0.00 0.00 64.21 62.10 1x45 n SER 65 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1x45 n LEU 66 N 1.68 0.29 -4.26 -3.43 4.77 -1.14 -4.89 117.00 110.03 1x45 n LEU 66 Ca 0.10 -0.01 -0.61 0.00 -0.03 0.00 0.00 56.01 55.47 1x45 n LEU 66 Cb 0.31 0.28 -0.09 0.00 -2.33 0.00 0.00 43.42 41.59 1x45 n LEU 66 CO 0.62 0.43 1.11 0.55 -1.33 0.00 0.00 177.39 178.76 1x45 n VAL 67 N -2.63 0.00 0.00 4.08 3.14 -1.26 0.76 118.33 122.42 1x45 n VAL 67 Ca -0.27 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.11 1x45 n VAL 67 Cb 1.00 -0.45 0.00 0.00 -1.06 0.00 0.00 33.84 33.33 1x45 n VAL 67 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1x45 n GLY 68 N 4.00 3.11 3.76 7.55 0.00 -1.24 -5.04 105.19 117.33 1x45 n GLY 68 Ca 0.31 -0.89 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 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 4.03 0.75 0.99 1.43 0.23 -4.98 118.68 121.12 1x45 s LEU 69 Ca 0.00 2.82 -0.11 0.00 -1.03 0.00 0.00 54.13 55.81 1x45 s LEU 69 Cb 0.00 -4.06 0.04 0.00 0.03 0.00 0.00 46.19 42.21 1x45 s LEU 69 CO 0.00 -1.27 1.10 -2.16 0.23 0.00 0.00 176.35 174.24 1x45 s PRO 70 N -2.60 2.37 0.30 1.29 0.04 -1.26 -4.77 135.00 130.36 1x45 s PRO 70 Ca 0.64 1.22 -0.01 0.00 0.04 0.00 0.00 61.00 62.89 1x45 s PRO 70 Cb -0.41 -1.91 0.48 0.00 0.04 0.00 0.00 34.50 32.70 1x45 s PRO 70 CO 0.52 -1.56 1.93 1.25 0.04 0.00 0.00 177.00 179.18 1x45 h LEU 71 N -0.88 0.94 -0.44 -3.56 5.85 -1.94 -0.19 115.31 115.09 1x45 h LEU 71 Ca -0.44 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 1x45 h LEU 71 Cb 1.23 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1x45 h LEU 71 CO 0.52 0.64 0.19 0.28 -0.34 0.00 0.00 178.44 179.72 1x45 h SER 72 N 1.09 0.60 0.49 1.25 0.02 -1.99 -2.26 113.55 112.74 1x45 h SER 72 Ca 0.36 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 1x45 h SER 72 Cb 0.07 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1x45 h SER 72 CO -0.12 0.59 -0.23 0.74 -1.14 0.00 0.00 176.83 176.67 1x45 h THR 73 N 0.57 0.34 -0.96 -2.27 2.02 -1.78 -3.04 112.91 107.79 1x45 h THR 73 Ca 0.15 -0.48 0.28 0.00 0.77 0.00 0.00 66.41 67.13 1x45 h THR 73 Cb 0.17 0.49 -0.14 0.00 -1.74 0.00 0.00 68.15 66.92 1x45 h THR 73 CO -0.01 0.06 0.45 0.00 0.37 0.00 0.00 175.52 176.39 1x45 h GLN 75 N 0.31 0.09 -0.76 0.00 4.20 -1.36 -2.30 115.11 115.30 1x45 h GLN 75 Ca 0.66 -0.01 0.13 0.00 0.06 0.00 0.00 58.65 59.49 1x45 h GLN 75 Cb 1.42 -0.02 -0.09 0.00 0.30 0.00 0.00 27.48 29.09 1x45 h GLN 75 CO -0.61 0.06 0.34 1.03 -0.67 0.00 0.00 178.83 178.99 1x45 h SER 76 N 0.10 0.38 0.46 1.46 0.87 -0.54 0.60 113.55 116.88 1x45 h SER 76 Ca 0.09 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1x45 h SER 76 Cb 0.10 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1x45 h SER 76 CO -0.14 0.18 0.00 0.40 -0.53 0.00 0.00 176.83 176.74 1x45 h ILE 77 N 0.53 0.00 0.00 2.23 2.04 -1.09 -1.46 117.51 119.76 1x45 h ILE 77 Ca 0.40 -0.22 -0.22 0.00 1.00 0.00 0.00 64.86 65.82 1x45 h ILE 77 Cb 0.55 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 1x45 h ILE 77 CO -0.35 0.00 -2.05 -0.38 0.00 0.00 0.00 178.15 175.36 1x45 n ILE 78 N -2.99 0.94 0.19 -0.67 5.41 0.14 -4.21 119.36 118.16 1x45 n ILE 78 Ca -0.01 -0.72 0.08 0.00 1.00 0.00 0.00 62.75 63.10 1x45 n ILE 78 Cb 0.17 -0.39 0.16 0.00 -0.71 0.00 0.00 39.64 38.87 1x45 n ILE 78 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1x45 h LYS 79 N 0.00 0.00 -0.02 0.38 2.10 0.55 -3.13 116.57 116.45 1x45 h LYS 79 Ca -0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 1x45 h LYS 79 Cb 1.73 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.06 1x45 h LYS 79 CO 0.03 0.23 0.00 0.41 -2.00 0.00 0.00 179.45 178.12 1x45 n GLY 80 N 1.02 -0.89 0.65 0.07 0.00 -0.61 -3.13 105.19 102.30 1x45 n GLY 80 Ca 0.03 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.48 2.08 0.03 0.99 4.77 -1.18 -4.14 117.00 119.08 1x45 n LEU 81 Ca 0.03 -0.69 -0.02 0.00 -0.03 0.00 0.00 56.01 55.30 1x45 n LEU 81 Cb 0.03 -0.01 0.24 0.00 -2.33 0.00 0.00 43.42 41.35 1x45 n LEU 81 CO 0.02 0.35 0.78 0.50 -1.33 0.00 0.00 177.39 177.71 1x45 h LYS 82 N 3.19 0.45 0.00 3.23 3.64 -1.70 -1.92 116.57 123.46 1x45 h LYS 82 Ca 0.00 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1x45 h LYS 82 Cb 0.71 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1x45 h LYS 82 CO 0.00 0.64 0.00 0.09 -2.27 0.00 0.00 179.45 177.91 1x45 n ASN 83 N -4.15 0.00 -4.39 4.20 4.13 -1.26 0.13 115.26 113.93 1x45 n ASN 83 Ca -0.00 0.15 -0.30 0.00 1.68 0.00 0.00 54.58 56.11 1x45 n ASN 83 Cb 0.37 -0.35 -0.14 0.00 -1.54 0.00 0.00 39.78 38.12 1x45 n ASN 83 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1x45 s GLN 84 N -2.71 1.73 -0.10 3.52 -2.07 -0.72 -4.68 119.66 114.63 1x45 s GLN 84 Ca 0.17 -1.17 -0.02 0.00 -1.82 0.00 0.00 55.36 52.52 1x45 s GLN 84 Cb 0.14 -2.00 -0.01 0.00 -1.09 0.00 0.00 33.01 30.06 1x45 s GLN 84 CO 0.35 0.50 -0.05 0.66 -1.32 0.00 0.00 175.29 175.43 1x45 h SER 85 N 4.41 0.00 -3.10 12.60 4.64 -1.79 -3.39 113.55 126.93 1x45 h SER 85 Ca -0.48 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.24 1x45 h SER 85 Cb 1.15 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.18 1x45 h SER 85 CO 0.43 0.51 -0.21 -0.60 -0.87 0.00 0.00 176.83 176.10 1x45 s ARG 86 N -1.67 4.03 -0.00 4.77 3.00 -1.26 -0.34 118.95 127.47 1x45 s ARG 86 Ca -0.04 0.38 0.00 0.00 -1.00 0.00 0.00 55.73 55.08 1x45 s ARG 86 Cb 0.01 -3.28 0.00 0.00 0.00 0.00 0.00 34.95 31.68 1x45 s ARG 86 CO 0.06 0.55 -0.00 0.08 0.00 0.00 0.00 175.30 175.98 1x45 s VAL 87 N -0.61 0.07 -0.18 7.11 1.01 -0.82 -5.00 120.40 121.99 1x45 s VAL 87 Ca 0.23 -0.01 -0.07 0.00 0.00 0.00 0.00 61.98 62.14 1x45 s VAL 87 Cb -0.16 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 1x45 s VAL 87 CO 0.12 0.04 0.05 -0.75 0.00 0.00 0.00 175.10 174.55 1x45 s LYS 88 N 0.16 3.93 -0.03 2.72 2.20 -1.26 -1.06 119.74 126.41 1x45 s LYS 88 Ca -0.01 -0.37 -0.07 0.00 -0.36 0.00 0.00 55.97 55.16 1x45 s LYS 88 Cb -0.03 -3.17 0.01 0.00 -1.51 0.00 0.00 37.83 33.13 1x45 s LYS 88 CO -0.00 0.27 0.16 -0.51 -0.36 0.00 0.00 175.35 174.91 1x45 s LEU 89 N 0.37 1.42 -0.26 5.43 1.43 0.02 0.29 118.68 127.38 1x45 s LEU 89 Ca 0.02 0.04 -0.13 0.00 -1.03 0.00 0.00 54.13 53.03 1x45 s LEU 89 Cb -0.13 0.68 -0.04 0.00 0.03 0.00 0.00 46.19 46.74 1x45 s LEU 89 CO 0.01 -0.25 0.30 0.21 0.23 0.00 0.00 176.35 176.84 1x45 s ASN 90 N -0.77 6.20 0.06 2.29 3.04 -1.05 0.44 114.94 125.15 1x45 s ASN 90 Ca -0.09 0.22 0.04 0.00 0.04 0.00 0.00 52.86 53.08 1x45 s ASN 90 Cb -0.05 -2.17 -0.04 0.00 -1.54 0.00 0.00 41.25 37.45 1x45 s ASN 90 CO 0.01 -0.09 -0.04 -0.63 -3.04 0.00 0.00 177.10 173.31 1x45 s ILE 91 N 1.72 3.79 -0.21 -5.21 -1.09 -0.92 0.31 121.20 119.59 1x45 s ILE 91 Ca 0.12 -0.94 -0.04 0.00 -2.23 0.00 0.00 60.65 57.56 1x45 s ILE 91 Cb -0.15 -2.74 0.10 0.00 -1.58 0.00 0.00 42.46 38.08 1x45 s ILE 91 CO 0.09 0.23 0.23 -0.69 -1.23 0.00 0.00 174.94 173.57 1x45 s VAL 92 N -1.18 -0.35 -0.39 2.92 1.01 0.13 -1.15 120.40 121.40 1x45 s VAL 92 Ca 0.22 -0.12 -0.35 0.00 0.00 0.00 0.00 61.98 61.72 1x45 s VAL 92 Cb -0.11 -0.69 -0.15 0.00 0.00 0.00 0.00 36.38 35.42 1x45 s VAL 92 CO 0.13 -0.20 1.46 -0.24 0.00 0.00 0.00 175.10 176.25 1x45 n SER 93 N 5.32 0.76 -3.51 3.32 2.88 -1.26 -2.45 113.62 118.68 1x45 n SER 93 Ca -0.05 0.72 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 1x45 n SER 93 Cb 0.50 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 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 4.52 -2.96 0.19 0.46 0.00 -1.25 -4.82 105.19 101.34 1x45 n GLY 94 Ca 0.34 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 1x45 n GLY 94 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x45 h PRO 95 N 0.00 0.62 -1.94 1.61 0.13 -1.86 -3.48 132.00 127.08 1x45 h PRO 95 Ca 0.00 -0.33 0.07 0.00 -0.87 0.00 0.00 66.00 64.87 1x45 h PRO 95 Cb 0.00 0.01 -0.19 0.00 0.13 0.00 0.00 31.00 30.95 1x45 h PRO 95 CO 0.00 0.92 0.46 0.45 -0.23 0.00 0.00 178.00 179.61 1x45 s SER 96 N -6.44 -0.42 0.02 1.44 0.15 -1.26 -5.11 113.70 102.07 1x45 s SER 96 Ca -0.13 0.29 -0.30 0.00 0.70 0.00 0.00 55.95 56.51 1x45 s SER 96 Cb 0.08 0.38 -0.05 0.00 -1.71 0.00 0.00 66.02 64.72 1x45 s SER 96 CO 0.81 -0.50 1.19 -0.44 1.20 0.00 0.00 173.24 175.50 1x45 s SER 97 N -1.67 7.08 0.00 5.45 0.01 -1.26 -4.92 113.70 118.39 1x45 s SER 97 Ca -0.01 1.93 0.00 0.00 1.31 0.00 0.00 55.95 59.19 1x45 s SER 97 Cb -0.01 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1x45 s SER 97 CO -0.01 -0.50 0.43 0.61 0.41 0.00 0.00 173.24 174.17