#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 -4.96 0.01 1.61 7.64 -1.26 -4.93 113.62 111.74 1x45 n SER 2 Ca 0.00 -0.58 -0.21 0.00 1.01 0.00 0.00 58.87 59.09 1x45 n SER 2 Cb 0.00 -5.00 -0.14 0.00 -1.01 0.00 0.00 64.21 58.06 1x45 n SER 2 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1x45 h SER 3 N -2.44 0.38 -4.27 6.43 0.87 -1.99 -3.47 113.55 109.06 1x45 h SER 3 Ca -0.58 -0.85 -0.52 0.00 -1.23 0.00 0.00 61.79 58.61 1x45 h SER 3 Cb 1.36 -0.12 0.18 0.00 -0.44 0.00 0.00 62.40 63.38 1x45 h SER 3 CO 0.55 1.60 0.25 -0.83 -0.53 0.00 0.00 176.83 177.87 1x45 s GLY 4 N -4.92 1.76 -0.02 5.77 0.00 -1.26 -4.98 107.32 103.67 1x45 s GLY 4 Ca -0.20 0.59 -0.19 0.00 0.00 0.00 0.00 44.72 44.92 1x45 s GLY 4 CO 0.77 0.99 0.80 0.23 0.00 0.00 0.00 173.10 175.89 1x45 h SER 5 N -1.62 -0.57 -0.26 1.64 0.87 -1.92 -3.40 113.55 108.30 1x45 h SER 5 Ca -0.44 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.10 1x45 h SER 5 Cb 1.27 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.36 1x45 h SER 5 CO 0.44 -0.15 0.17 -1.20 -0.53 0.00 0.00 176.83 175.56 1x45 n SER 6 N -5.22 1.41 0.00 6.23 7.64 -1.26 -4.66 113.62 117.76 1x45 n SER 6 Ca -0.09 -1.61 0.00 0.00 1.01 0.00 0.00 58.87 58.19 1x45 n SER 6 Cb 0.27 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 61.89 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 6.55 -0.73 3.72 0.23 0.00 0.25 -4.89 105.19 110.32 1x45 n GLY 7 Ca 0.47 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1x45 n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1x45 s ASP 8 N -4.00 6.50 0.10 1.61 -4.77 -1.26 -1.42 116.67 113.43 1x45 s ASP 8 Ca 0.00 2.73 0.09 0.00 -3.30 0.00 0.00 52.55 52.07 1x45 s ASP 8 Cb 0.00 -2.60 -0.04 0.00 -1.09 0.00 0.00 42.92 39.20 1x45 s ASP 8 CO 0.00 -0.88 -0.23 -0.69 0.70 0.00 0.00 175.17 174.07 1x45 s VAL 9 N 1.09 1.90 -0.22 2.11 1.01 0.15 -4.92 120.40 121.53 1x45 s VAL 9 Ca 0.71 -1.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 1x45 s VAL 9 Cb -0.46 -1.70 0.06 0.00 0.00 0.00 0.00 36.38 34.28 1x45 s VAL 9 CO 0.32 0.03 -0.00 -0.36 0.00 0.00 0.00 175.10 175.09 1x45 s PHE 10 N -1.08 1.66 -0.35 5.22 0.40 -1.26 -0.69 117.98 121.87 1x45 s PHE 10 Ca 0.09 -1.29 -0.19 0.00 -0.60 0.00 0.00 56.93 54.94 1x45 s PHE 10 Cb -0.10 -1.30 -0.00 0.00 0.51 0.00 0.00 43.02 42.13 1x45 s PHE 10 CO 0.04 -0.69 0.56 0.42 0.70 0.00 0.00 175.22 176.25 1x45 s ILE 11 N 1.64 4.97 -0.39 0.64 -1.09 -0.39 -4.92 121.20 121.65 1x45 s ILE 11 Ca -0.03 0.42 -0.14 0.00 -2.23 0.00 0.00 60.65 58.67 1x45 s ILE 11 Cb -0.18 -4.01 0.02 0.00 -1.58 0.00 0.00 42.46 36.71 1x45 s ILE 11 CO -0.08 -0.26 0.27 -1.61 -1.23 0.00 0.00 174.94 172.03 1x45 s GLU 12 N 2.51 2.98 0.15 2.79 2.02 -1.26 -2.16 118.70 125.73 1x45 s GLU 12 Ca 0.21 -1.00 0.01 0.00 0.02 0.00 0.00 54.97 54.21 1x45 s GLU 12 Cb -0.15 -3.90 -0.00 0.00 0.10 0.00 0.00 34.13 30.18 1x45 s GLU 12 CO 0.14 -0.71 0.05 0.36 0.02 0.00 0.00 175.26 175.12 1x45 n LYS 13 N 5.11 0.92 -3.83 1.61 2.85 -0.41 -4.96 118.16 119.45 1x45 n LYS 13 Ca -0.11 -1.25 -0.36 0.00 -1.05 0.00 0.00 58.31 55.53 1x45 n LYS 13 Cb 0.47 0.63 -0.13 0.00 -0.65 0.00 0.00 35.03 35.35 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 -2.57 3.07 0.41 -1.58 -0.21 -1.26 -4.41 119.66 113.11 1x45 s GLN 14 Ca 0.06 -0.85 -0.13 0.00 0.02 0.00 0.00 55.36 54.46 1x45 s GLN 14 Cb 0.00 -3.23 -0.11 0.00 1.00 0.00 0.00 33.01 30.67 1x45 s GLN 14 CO 0.05 -0.40 -0.15 1.63 -2.12 0.00 0.00 175.29 174.30 1x45 n LYS 15 N 4.81 0.00 0.00 2.91 5.02 -1.26 -2.39 118.16 127.25 1x45 n LYS 15 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 1x45 n LYS 15 Cb 0.48 -0.72 0.00 0.00 -0.02 0.00 0.00 35.03 34.77 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 1.90 2.86 3.94 0.72 0.00 0.14 -5.01 105.19 109.74 1x45 n GLY 16 Ca 0.05 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 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 3.02 0.77 1.61 -1.05 -1.00 -4.92 118.70 117.12 1x45 s GLU 17 Ca 0.00 -0.35 -0.03 0.00 -0.15 0.00 0.00 54.97 54.43 1x45 s GLU 17 Cb 0.00 -2.47 0.14 0.00 -0.44 0.00 0.00 34.13 31.36 1x45 s GLU 17 CO 0.00 -0.40 1.06 0.96 0.95 0.00 0.00 175.26 177.83 1x45 s ILE 18 N -2.68 2.10 -2.00 1.83 -4.36 -1.26 -4.18 121.20 110.64 1x45 s ILE 18 Ca 0.50 -0.49 0.05 0.00 -0.26 0.00 0.00 60.65 60.45 1x45 s ILE 18 Cb -0.10 -2.60 0.14 0.00 1.25 0.00 0.00 42.46 41.14 1x45 s ILE 18 CO 0.40 0.00 1.03 -0.11 0.24 0.00 0.00 174.94 176.50 1x45 n LEU 19 N -3.01 0.00 -3.78 0.37 7.94 -1.26 -4.56 117.00 112.69 1x45 n LEU 19 Ca 0.15 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.83 1x45 n LEU 19 Cb 0.60 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.49 1x45 n LEU 19 CO 0.43 0.00 -0.32 0.61 -1.11 0.00 0.00 177.39 176.99 1x45 n GLY 20 N 0.38 -0.11 3.25 -3.96 0.00 -1.26 -3.24 105.19 100.26 1x45 n GLY 20 Ca 0.04 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 0.10 -0.02 1.61 0.11 -1.26 -1.59 120.40 115.38 1x45 s VAL 21 Ca 0.02 -0.80 0.07 0.00 -2.93 0.00 0.00 61.98 58.34 1x45 s VAL 21 Cb -0.01 -1.11 -0.02 0.00 -1.53 0.00 0.00 36.38 33.71 1x45 s VAL 21 CO 0.70 -0.44 -0.24 -0.69 -3.33 0.00 0.00 175.10 171.10 1x45 s VAL 22 N -3.25 1.86 0.24 2.04 1.01 0.23 -4.95 120.40 117.58 1x45 s VAL 22 Ca -0.00 -1.01 0.09 0.00 0.00 0.00 0.00 61.98 61.06 1x45 s VAL 22 Cb 0.02 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 1x45 s VAL 22 CO -0.08 0.52 -0.16 0.27 0.00 0.00 0.00 175.10 175.66 1x45 s ILE 23 N -0.56 2.03 0.32 2.22 -4.36 -1.26 0.03 121.20 119.62 1x45 s ILE 23 Ca 0.09 -2.28 -0.07 0.00 -0.26 0.00 0.00 60.65 58.13 1x45 s ILE 23 Cb -0.09 -2.19 0.01 0.00 1.25 0.00 0.00 42.46 41.44 1x45 s ILE 23 CO -0.01 -0.49 0.52 0.68 0.24 0.00 0.00 174.94 175.88 1x45 s VAL 24 N -2.79 0.00 0.12 8.37 -7.23 -0.28 -4.74 120.40 113.85 1x45 s VAL 24 Ca 0.26 -1.47 -0.31 0.00 -1.81 0.00 0.00 61.98 58.65 1x45 s VAL 24 Cb -0.02 -2.57 -0.09 0.00 0.56 0.00 0.00 36.38 34.26 1x45 s VAL 24 CO 0.11 0.00 1.54 -1.61 -0.31 0.00 0.00 175.10 174.83 1x45 s GLU 25 N -3.19 4.24 -0.24 4.82 2.02 -1.26 -2.00 118.70 123.09 1x45 s GLU 25 Ca 0.26 2.27 0.01 0.00 0.02 0.00 0.00 54.97 57.53 1x45 s GLU 25 Cb -0.01 -3.33 0.28 0.00 0.10 0.00 0.00 34.13 31.17 1x45 s GLU 25 CO 0.16 -0.61 1.61 0.43 0.02 0.00 0.00 175.26 176.87 1x45 n SER 26 N 4.52 4.30 -2.34 -0.19 7.64 -1.26 -4.64 113.62 121.64 1x45 n SER 26 Ca 0.14 -2.84 -0.21 0.00 1.01 0.00 0.00 58.87 56.97 1x45 n SER 26 Cb 0.40 -0.78 -0.11 0.00 -1.01 0.00 0.00 64.21 62.71 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 -0.07 3.66 1.73 0.23 0.00 -1.26 -4.09 105.19 105.38 1x45 n GLY 27 Ca 0.28 -1.50 -0.18 0.00 0.00 0.00 0.00 46.02 44.63 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 2.01 2.19 0.00 1.61 7.02 -1.26 -4.92 117.44 124.10 1x45 n TRP 28 Ca 0.49 -2.08 0.00 0.00 -1.02 0.00 0.00 57.50 54.89 1x45 n TRP 28 Cb 0.71 -0.32 0.00 0.00 -2.42 0.00 0.00 31.31 29.27 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 -0.79 2.73 3.33 6.99 0.00 -1.26 -4.90 105.19 111.28 1x45 n GLY 29 Ca 0.39 -0.55 -0.58 0.00 0.00 0.00 0.00 46.02 45.29 1x45 n GLY 29 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x45 n SER 30 N 0.40 0.41 -0.13 1.61 7.64 -1.26 -4.81 113.62 117.49 1x45 n SER 30 Ca 0.00 1.08 -0.07 0.00 1.01 0.00 0.00 58.87 60.90 1x45 n SER 30 Cb 0.00 -0.84 -0.01 0.00 -1.01 0.00 0.00 64.21 62.35 1x45 n SER 30 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1x45 h ILE 31 N 3.47 0.25 -3.35 0.44 5.03 -1.96 -3.30 117.51 118.09 1x45 h ILE 31 Ca -0.45 0.00 -0.76 0.00 -0.12 0.00 0.00 64.86 63.54 1x45 h ILE 31 Cb 1.30 0.25 -0.26 0.00 -3.03 0.00 0.00 36.82 35.08 1x45 h ILE 31 CO 0.72 0.00 -0.19 -0.76 -0.68 0.00 0.00 178.15 177.24 1x45 s LEU 32 N -10.61 6.17 -0.83 1.44 2.01 -1.26 -5.02 118.68 110.58 1x45 s LEU 32 Ca -0.15 -2.11 -0.25 0.00 0.01 0.00 0.00 54.13 51.64 1x45 s LEU 32 Cb 0.14 -2.15 -0.04 0.00 0.01 0.00 0.00 46.19 44.15 1x45 s LEU 32 CO 0.68 -0.72 1.93 -2.16 1.01 0.00 0.00 176.35 177.09 1x45 s PRO 33 N 1.09 2.57 0.00 1.29 0.04 -1.24 -4.70 135.00 134.04 1x45 s PRO 33 Ca 0.08 -0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.04 1x45 s PRO 33 Cb -0.24 -4.91 0.00 0.00 0.04 0.00 0.00 34.50 29.40 1x45 s PRO 33 CO -0.01 -3.23 0.00 0.25 0.04 0.00 0.00 177.00 174.05 1x45 n THR 34 N 7.72 0.00 -3.64 1.26 -2.24 -1.26 -3.50 114.28 112.61 1x45 n THR 34 Ca 0.36 0.07 -0.04 0.00 -2.27 0.00 0.00 64.05 62.16 1x45 n THR 34 Cb 0.48 -0.87 -0.06 0.00 -2.10 0.00 0.00 70.33 67.77 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 -0.43 0.00 0.14 2.28 -7.23 -1.26 -4.34 120.40 109.57 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 -0.14 1.33 -0.10 -0.62 -4.36 -0.85 -0.29 121.20 116.18 1x45 s ILE 36 Ca 0.07 -1.89 -0.29 0.00 -0.26 0.00 0.00 60.65 58.27 1x45 s ILE 36 Cb -0.04 -1.69 -0.04 0.00 1.25 0.00 0.00 42.46 41.93 1x45 s ILE 36 CO -0.12 -0.55 1.51 -0.63 0.24 0.00 0.00 174.94 175.39 1x45 s ILE 37 N -2.63 3.84 -0.13 8.37 1.09 -0.65 -1.13 121.20 129.96 1x45 s ILE 37 Ca 0.13 1.02 0.18 0.00 -1.10 0.00 0.00 60.65 60.87 1x45 s ILE 37 Cb -0.02 -3.66 -0.14 0.00 -1.06 0.00 0.00 42.46 37.58 1x45 s ILE 37 CO 0.03 -0.09 0.77 0.00 -0.10 0.00 0.00 174.94 175.55 1x45 n ALA 38 N 6.94 2.01 -3.62 9.38 0.00 0.10 -2.55 120.51 132.78 1x45 n ALA 38 Ca 0.16 -0.56 -0.05 0.00 0.00 0.00 0.00 53.44 52.98 1x45 n ALA 38 Cb 0.44 -0.91 -0.04 0.00 0.00 0.00 0.00 19.45 18.93 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 -5.65 -0.16 -0.10 0.00 2.47 -1.22 -4.99 114.94 105.30 1x45 s ASN 39 Ca -0.03 0.17 0.02 0.00 0.42 0.00 0.00 52.86 53.43 1x45 s ASN 39 Cb 0.09 0.14 -0.02 0.00 -1.45 0.00 0.00 41.25 40.01 1x45 s ASN 39 CO 0.82 -0.16 -0.15 -0.04 -3.72 0.00 0.00 177.10 173.85 1x45 s MET 40 N -1.14 3.08 0.61 0.43 -1.94 -1.26 -0.60 119.30 118.49 1x45 s MET 40 Ca 0.05 -0.72 -0.18 0.00 -1.71 0.00 0.00 55.69 53.13 1x45 s MET 40 Cb -0.01 -2.51 -0.06 0.00 2.01 0.00 0.00 34.83 34.27 1x45 s MET 40 CO -0.04 0.32 0.73 -0.12 -0.01 0.00 0.00 175.02 175.90 1x45 n MET 41 N 3.18 0.63 -0.76 2.03 1.56 -0.62 -4.82 117.12 118.33 1x45 n MET 41 Ca -0.18 0.25 -0.08 0.00 -0.27 0.00 0.00 57.70 57.42 1x45 n MET 41 Cb 0.53 -1.93 -0.03 0.00 2.15 0.00 0.00 33.22 33.93 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 -1.86 0.42 0.00 1.12 8.25 -1.26 -3.73 115.22 118.16 1x45 n HIS 42 Ca 0.13 -1.37 0.00 0.00 -0.26 0.00 0.00 57.72 56.22 1x45 n HIS 42 Cb 0.48 -0.89 0.00 0.00 1.12 0.00 0.00 29.99 30.70 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 1.45 0.00 3.04 -1.41 0.00 -1.26 -5.15 105.19 101.85 1x45 n GLY 43 Ca 0.19 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.03 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 2.35 0.24 -0.02 0.00 -1.24 -4.99 105.19 101.52 1x45 n GLY 44 Ca 0.00 -2.24 -0.10 0.00 0.00 0.00 0.00 46.02 43.69 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 0.70 -0.15 1.61 0.13 -1.80 -2.24 132.00 130.25 1x45 h PRO 45 Ca -0.24 -0.37 -0.19 0.00 -0.87 0.00 0.00 66.00 64.33 1x45 h PRO 45 Cb 0.99 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 1x45 h PRO 45 CO 0.36 0.98 -0.68 0.00 -0.23 0.00 0.00 178.00 178.44 1x45 h ALA 46 N 0.97 0.54 -0.16 -0.56 0.00 -1.75 0.32 119.26 118.61 1x45 h ALA 46 Ca 0.04 -0.57 -0.12 0.00 0.00 0.00 0.00 54.91 54.26 1x45 h ALA 46 Cb 0.95 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1x45 h ALA 46 CO 0.09 0.71 -0.43 1.49 0.00 0.00 0.00 179.25 181.12 1x45 h GLU 47 N 0.42 0.36 0.09 0.00 4.57 -1.74 -3.13 114.58 115.15 1x45 h GLU 47 Ca -0.02 -0.18 -0.31 0.00 -1.18 0.00 0.00 59.36 57.67 1x45 h GLU 47 Cb 1.26 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.84 1x45 h GLU 47 CO 0.13 0.73 -1.61 0.87 -1.18 0.00 0.00 179.01 177.94 1x45 h LYS 48 N 0.30 0.18 -0.91 1.92 1.57 -1.36 -3.34 116.57 114.93 1x45 h LYS 48 Ca 0.02 -0.32 0.17 0.00 -1.87 0.00 0.00 60.65 58.66 1x45 h LYS 48 Cb 0.88 0.12 -0.10 0.00 0.08 0.00 0.00 32.23 33.20 1x45 h LYS 48 CO 0.07 0.99 0.49 0.66 -0.57 0.00 0.00 179.45 181.09 1x45 h SER 49 N 0.05 0.60 -0.59 0.86 4.64 -0.33 -3.45 113.55 115.33 1x45 h SER 49 Ca -0.27 0.10 -0.25 0.00 -0.47 0.00 0.00 61.79 60.90 1x45 h SER 49 Cb 2.00 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 64.00 1x45 h SER 49 CO 0.13 0.22 -0.23 0.61 -0.87 0.00 0.00 176.83 176.69 1x45 n GLY 50 N -1.33 1.24 0.10 -0.77 0.00 -1.19 -4.83 105.19 98.41 1x45 n GLY 50 Ca 0.20 -0.11 -0.02 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.87 -3.47 116.57 114.67 1x45 h LYS 51 Ca -0.25 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.68 1x45 h LYS 51 Cb 1.07 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.63 1x45 h LYS 51 CO 0.37 0.58 -0.35 1.47 -1.08 0.00 0.00 179.45 180.44 1x45 n LEU 52 N -3.16 0.00 -3.62 2.94 -0.00 -1.26 -4.94 117.00 106.95 1x45 n LEU 52 Ca -0.03 -2.63 -0.16 0.00 -0.00 0.00 0.00 56.01 53.19 1x45 n LEU 52 Cb 0.84 0.19 -0.07 0.00 -0.00 0.00 0.00 43.42 44.38 1x45 n LEU 52 CO 0.43 -0.44 0.25 0.20 -0.00 0.00 0.00 177.39 177.83 1x45 s ASN 53 N -3.51 -0.44 -0.45 1.45 0.01 -1.26 -5.07 114.94 105.67 1x45 s ASN 53 Ca 0.09 0.39 -0.33 0.00 -0.71 0.00 0.00 52.86 52.30 1x45 s ASN 53 Cb -0.01 0.44 -0.12 0.00 0.41 0.00 0.00 41.25 41.98 1x45 s ASN 53 CO 0.06 -0.56 2.30 -0.38 -1.51 0.00 0.00 177.10 177.01 1x45 n ILE 54 N 0.98 0.12 0.00 0.60 2.08 -1.26 -0.65 119.36 121.22 1x45 n ILE 54 Ca -0.20 -0.34 0.00 0.00 0.56 0.00 0.00 62.75 62.78 1x45 n ILE 54 Cb 0.57 -1.75 0.00 0.00 -0.75 0.00 0.00 39.64 37.71 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 6.41 0.73 3.74 7.39 0.00 -1.06 -5.01 105.19 117.40 1x45 n GLY 55 Ca 0.43 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.78 4.90 0.13 1.61 1.11 0.17 -3.89 116.67 119.93 1x45 s ASP 56 Ca 0.00 2.70 0.08 0.00 0.18 0.00 0.00 52.55 55.51 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 -1.81 -0.12 0.00 1.18 0.00 0.00 175.17 174.42 1x45 s GLN 57 N -3.16 2.01 -0.28 8.23 -2.07 -1.05 -1.64 119.66 121.71 1x45 s GLN 57 Ca 0.78 -1.14 -0.11 0.00 -1.82 0.00 0.00 55.36 53.06 1x45 s GLN 57 Cb -0.39 -2.21 -0.05 0.00 -1.09 0.00 0.00 33.01 29.27 1x45 s GLN 57 CO 0.44 0.48 0.20 0.42 -1.32 0.00 0.00 175.29 175.50 1x45 s ILE 58 N -1.34 5.31 0.05 3.63 1.01 0.61 0.15 121.20 130.62 1x45 s ILE 58 Ca 0.21 0.19 -0.17 0.00 0.00 0.00 0.00 60.65 60.88 1x45 s ILE 58 Cb -0.10 -3.54 -0.21 0.00 0.01 0.00 0.00 42.46 38.62 1x45 s ILE 58 CO 0.13 0.25 1.19 0.24 0.00 0.00 0.00 174.94 176.75 1x45 h MET 59 N 8.33 0.57 -3.31 2.79 2.86 -0.38 -3.38 114.93 122.40 1x45 h MET 59 Ca -0.35 -0.54 -0.01 0.00 -2.06 0.00 0.00 59.70 56.74 1x45 h MET 59 Cb 1.19 0.14 -0.08 0.00 0.06 0.00 0.00 31.60 32.90 1x45 h MET 59 CO 0.56 1.17 0.04 -1.54 1.06 0.00 0.00 176.91 178.20 1x45 s SER 60 N -6.91 -0.22 -0.30 1.22 1.04 -1.24 -2.64 113.70 104.65 1x45 s SER 60 Ca -0.12 -0.63 0.01 0.00 0.48 0.00 0.00 55.95 55.70 1x45 s SER 60 Cb 0.06 0.62 0.09 0.00 0.10 0.00 0.00 66.02 66.88 1x45 s SER 60 CO 0.86 -1.15 0.03 -0.63 0.98 0.00 0.00 173.24 173.33 1x45 s ILE 61 N -3.92 1.60 -1.77 -1.02 1.01 0.11 -1.78 121.20 115.43 1x45 s ILE 61 Ca 0.13 -1.69 0.00 0.00 0.00 0.00 0.00 60.65 59.09 1x45 s ILE 61 Cb -0.02 -2.08 0.00 0.00 0.01 0.00 0.00 42.46 40.36 1x45 s ILE 61 CO 0.03 -0.46 0.00 0.59 0.00 0.00 0.00 174.94 175.09 1x45 n ASN 62 N 4.57 -5.57 0.00 3.58 3.02 0.29 -1.64 115.26 119.52 1x45 n ASN 62 Ca -0.03 0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1x45 n ASN 62 Cb 0.43 -4.64 0.00 0.00 -0.61 0.00 0.00 39.78 34.95 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 -0.92 0.92 3.30 7.41 0.00 -1.26 -5.03 105.19 109.61 1x45 n GLY 63 Ca -0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 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 4.00 0.30 2.61 2.01 -0.65 -5.08 115.64 116.83 1x45 s THR 64 Ca 0.00 -1.04 -0.29 0.00 0.31 0.00 0.00 61.69 60.66 1x45 s THR 64 Cb 0.00 -3.25 -0.10 0.00 0.01 0.00 0.00 72.50 69.15 1x45 s THR 64 CO 0.00 -0.18 1.45 -0.94 -0.69 0.00 0.00 174.62 174.25 1x45 s SER 65 N 1.45 6.58 -0.15 3.53 1.04 -1.26 0.10 113.70 124.98 1x45 s SER 65 Ca -0.01 2.79 0.16 0.00 0.48 0.00 0.00 55.95 59.37 1x45 s SER 65 Cb -0.19 -2.64 -0.22 0.00 0.10 0.00 0.00 66.02 63.07 1x45 s SER 65 CO 0.04 -0.73 0.11 0.18 0.98 0.00 0.00 173.24 173.81 1x45 n LEU 66 N 1.64 0.00 -4.08 2.42 4.77 -1.08 -4.90 117.00 115.77 1x45 n LEU 66 Ca 0.04 0.00 -0.58 0.00 -0.03 0.00 0.00 56.01 55.45 1x45 n LEU 66 Cb 0.40 0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 41.77 1x45 n LEU 66 CO 0.61 0.36 0.95 0.55 -1.33 0.00 0.00 177.39 178.54 1x45 n VAL 67 N -2.56 0.00 0.00 4.08 3.14 -1.26 0.69 118.33 122.42 1x45 n VAL 67 Ca -0.24 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.14 1x45 n VAL 67 Cb 0.98 -0.40 0.00 0.00 -1.06 0.00 0.00 33.84 33.36 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 3.28 3.01 3.74 7.55 0.00 -1.23 -5.04 105.19 116.50 1x45 n GLY 68 Ca 0.26 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 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 4.48 -4.77 0.99 4.77 0.22 -4.97 117.00 117.72 1x45 n LEU 69 Ca 0.00 1.15 -0.31 0.00 -0.03 0.00 0.00 56.01 56.82 1x45 n LEU 69 Cb 0.00 -1.56 0.08 0.00 -2.33 0.00 0.00 43.42 39.61 1x45 n LEU 69 CO 0.00 -0.29 0.71 -2.16 -1.33 0.00 0.00 177.39 174.31 1x45 s PRO 70 N -2.22 2.38 0.26 3.23 0.04 -1.26 -4.77 135.00 132.66 1x45 s PRO 70 Ca 0.59 1.22 -0.03 0.00 0.04 0.00 0.00 61.00 62.82 1x45 s PRO 70 Cb -0.49 -1.91 0.37 0.00 0.04 0.00 0.00 34.50 32.51 1x45 s PRO 70 CO 0.60 -1.55 1.89 1.25 0.04 0.00 0.00 177.00 179.22 1x45 h LEU 71 N -0.86 1.05 -0.49 -3.56 5.85 -1.93 -0.42 115.31 114.95 1x45 h LEU 71 Ca -0.44 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 1x45 h LEU 71 Cb 1.23 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 1x45 h LEU 71 CO 0.52 0.69 0.27 0.28 -0.34 0.00 0.00 178.44 179.85 1x45 h SER 72 N 1.20 0.61 0.69 1.25 0.02 -2.00 -1.92 113.55 113.41 1x45 h SER 72 Ca 0.42 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.24 1x45 h SER 72 Cb 0.11 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 62.50 1x45 h SER 72 CO -0.16 0.53 -0.33 0.74 -1.14 0.00 0.00 176.83 176.47 1x45 h THR 73 N 0.65 0.01 -0.96 -2.27 2.02 -1.76 -2.97 112.91 107.62 1x45 h THR 73 Ca 0.17 -0.32 0.29 0.00 0.77 0.00 0.00 66.41 67.32 1x45 h THR 73 Cb 0.05 0.01 -0.15 0.00 -1.74 0.00 0.00 68.15 66.32 1x45 h THR 73 CO -0.03 0.00 0.43 0.00 0.37 0.00 0.00 175.52 176.30 1x45 h GLN 75 N 0.28 0.20 -0.61 0.00 4.20 -1.31 -2.03 115.11 115.85 1x45 h GLN 75 Ca 0.66 -0.01 0.08 0.00 0.06 0.00 0.00 58.65 59.44 1x45 h GLN 75 Cb 1.45 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 29.11 1x45 h GLN 75 CO -0.63 0.14 0.27 1.03 -0.67 0.00 0.00 178.83 178.96 1x45 h SER 76 N 0.21 0.32 0.49 1.46 0.87 -0.37 0.56 113.55 117.10 1x45 h SER 76 Ca 0.14 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1x45 h SER 76 Cb 0.13 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1x45 h SER 76 CO -0.17 0.20 0.00 0.40 -0.53 0.00 0.00 176.83 176.73 1x45 h ILE 77 N 0.48 0.00 0.00 2.23 2.04 -1.04 -1.04 117.51 120.18 1x45 h ILE 77 Ca 0.30 -0.24 -0.21 0.00 1.00 0.00 0.00 64.86 65.70 1x45 h ILE 77 Cb 0.31 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 1x45 h ILE 77 CO -0.26 0.00 -1.90 -0.38 0.00 0.00 0.00 178.15 175.61 1x45 n ILE 78 N -3.05 1.03 0.15 -0.67 5.41 0.46 -4.18 119.36 118.50 1x45 n ILE 78 Ca -0.01 -0.72 0.04 0.00 1.00 0.00 0.00 62.75 63.06 1x45 n ILE 78 Cb 0.18 -0.50 0.04 0.00 -0.71 0.00 0.00 39.64 38.65 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 -0.08 0.38 2.10 0.60 -3.20 116.57 116.37 1x45 h LYS 79 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 1x45 h LYS 79 Cb 1.72 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.05 1x45 h LYS 79 CO 0.03 0.42 0.00 0.41 -2.00 0.00 0.00 179.45 178.31 1x45 n GLY 80 N 1.21 -0.74 0.21 0.07 0.00 -0.45 -3.04 105.19 102.45 1x45 n GLY 80 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.46 1.04 0.04 0.99 4.77 -1.21 -4.07 117.00 118.11 1x45 n LEU 81 Ca 0.00 -0.28 0.04 0.00 -0.03 0.00 0.00 56.01 55.74 1x45 n LEU 81 Cb 0.02 -0.13 0.44 0.00 -2.33 0.00 0.00 43.42 41.42 1x45 n LEU 81 CO 0.00 0.20 1.11 0.50 -1.33 0.00 0.00 177.39 177.87 1x45 h LYS 82 N 1.04 0.45 0.00 3.23 3.64 -1.70 0.34 116.57 123.57 1x45 h LYS 82 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1x45 h LYS 82 Cb 0.54 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1x45 h LYS 82 CO 0.00 0.33 0.00 0.27 -2.27 0.00 0.00 179.45 177.78 1x45 n ASN 83 N -4.45 0.00 -3.97 4.20 0.23 -1.26 0.25 115.26 110.26 1x45 n ASN 83 Ca 0.02 -1.49 -0.16 0.00 -0.53 0.00 0.00 54.58 52.41 1x45 n ASN 83 Cb 0.10 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 37.65 1x45 n ASN 83 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1x45 s GLN 84 N -2.00 0.48 -0.11 -3.83 -2.07 0.11 -4.85 119.66 107.38 1x45 s GLN 84 Ca 0.20 -0.20 -0.03 0.00 -1.82 0.00 0.00 55.36 53.50 1x45 s GLN 84 Cb 0.09 -0.46 -0.01 0.00 -1.09 0.00 0.00 33.01 31.54 1x45 s GLN 84 CO 0.15 0.12 -0.06 0.66 -1.32 0.00 0.00 175.29 174.84 1x45 h SER 85 N 6.04 0.00 -3.33 12.60 4.64 -1.78 -3.41 113.55 128.32 1x45 h SER 85 Ca -0.29 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.47 1x45 h SER 85 Cb 1.19 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.23 1x45 h SER 85 CO 0.50 0.59 0.02 -0.60 -0.87 0.00 0.00 176.83 176.47 1x45 s ARG 86 N -1.80 4.36 -0.07 4.77 3.52 -1.26 -1.29 118.95 127.19 1x45 s ARG 86 Ca -0.05 0.78 -0.05 0.00 -0.13 0.00 0.00 55.73 56.28 1x45 s ARG 86 Cb 0.01 -3.37 0.03 0.00 -1.56 0.00 0.00 34.95 30.06 1x45 s ARG 86 CO 0.08 0.30 0.18 0.08 -0.81 0.00 0.00 175.30 175.13 1x45 s VAL 87 N 0.03 -0.02 -0.19 7.11 1.01 -0.92 -5.01 120.40 122.43 1x45 s VAL 87 Ca 0.33 0.06 -0.08 0.00 0.00 0.00 0.00 61.98 62.29 1x45 s VAL 87 Cb -0.18 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 1x45 s VAL 87 CO 0.18 0.02 0.07 -0.75 0.00 0.00 0.00 175.10 174.62 1x45 s LYS 88 N 0.48 3.96 -0.02 2.72 2.20 -1.26 -1.26 119.74 126.56 1x45 s LYS 88 Ca -0.03 -0.35 -0.03 0.00 -0.36 0.00 0.00 55.97 55.20 1x45 s LYS 88 Cb -0.05 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 33.04 1x45 s LYS 88 CO -0.02 0.24 0.07 -0.51 -0.36 0.00 0.00 175.35 174.77 1x45 s LEU 89 N 0.47 1.75 -0.24 5.43 1.43 0.14 0.11 118.68 127.77 1x45 s LEU 89 Ca 0.03 0.04 -0.17 0.00 -1.03 0.00 0.00 54.13 53.00 1x45 s LEU 89 Cb -0.13 0.29 -0.03 0.00 0.03 0.00 0.00 46.19 46.35 1x45 s LEU 89 CO 0.01 -0.10 0.46 0.21 0.23 0.00 0.00 176.35 177.16 1x45 s ASN 90 N -0.29 6.41 0.04 2.29 3.04 -0.73 0.33 114.94 126.03 1x45 s ASN 90 Ca -0.03 0.49 0.05 0.00 0.04 0.00 0.00 52.86 53.41 1x45 s ASN 90 Cb -0.02 -2.26 -0.04 0.00 -1.54 0.00 0.00 41.25 37.39 1x45 s ASN 90 CO 0.00 -0.20 -0.08 -0.63 -3.04 0.00 0.00 177.10 173.15 1x45 s ILE 91 N 1.94 3.53 -0.21 -5.21 -1.09 -0.51 0.41 121.20 120.05 1x45 s ILE 91 Ca 0.20 -0.97 -0.04 0.00 -2.23 0.00 0.00 60.65 57.61 1x45 s ILE 91 Cb -0.15 -2.58 0.10 0.00 -1.58 0.00 0.00 42.46 38.25 1x45 s ILE 91 CO 0.09 0.28 0.23 -0.69 -1.23 0.00 0.00 174.94 173.63 1x45 s VAL 92 N -1.08 -0.34 -0.12 2.92 1.01 0.12 -0.59 120.40 122.32 1x45 s VAL 92 Ca 0.19 -0.15 -0.42 0.00 0.00 0.00 0.00 61.98 61.60 1x45 s VAL 92 Cb -0.11 -0.71 -0.20 0.00 0.00 0.00 0.00 36.38 35.36 1x45 s VAL 92 CO 0.10 -0.23 1.21 -1.54 0.00 0.00 0.00 175.10 174.64 1x45 n SER 93 N 5.32 0.35 -3.00 3.32 3.41 -1.26 -2.52 113.62 119.23 1x45 n SER 93 Ca -0.05 1.17 -0.00 0.00 -0.26 0.00 0.00 58.87 59.72 1x45 n SER 93 Cb 0.49 -0.92 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 1x45 n SER 93 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x45 n GLY 94 N 2.15 -2.45 3.59 5.00 0.00 -1.25 -4.78 105.19 107.45 1x45 n GLY 94 Ca 0.23 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.99 3.25 0.04 1.61 0.04 -1.26 -4.97 135.00 131.72 1x45 s PRO 95 Ca 0.00 1.16 -0.07 0.00 0.04 0.00 0.00 61.00 62.14 1x45 s PRO 95 Cb -0.00 -4.20 -0.01 0.00 0.04 0.00 0.00 34.50 30.33 1x45 s PRO 95 CO 0.00 -1.97 0.12 0.45 0.04 0.00 0.00 177.00 175.65 1x45 s SER 96 N 6.02 0.14 0.33 6.66 0.15 -1.26 -5.00 113.70 120.74 1x45 s SER 96 Ca 0.73 -0.50 0.09 0.00 0.70 0.00 0.00 55.95 56.97 1x45 s SER 96 Cb -0.19 0.25 -0.05 0.00 -1.71 0.00 0.00 66.02 64.32 1x45 s SER 96 CO 0.31 -0.53 0.05 -0.94 1.20 0.00 0.00 173.24 173.33 1x45 s SER 97 N -2.16 4.40 0.00 5.45 1.04 -1.26 -5.22 113.70 115.95 1x45 s SER 97 Ca -0.04 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.53 1x45 s SER 97 Cb -0.01 -0.65 0.00 0.00 0.10 0.00 0.00 66.02 65.47 1x45 s SER 97 CO -0.05 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.57