#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 -0.09 -0.13 1.61 0.01 -1.26 -5.06 113.70 108.79 1x45 s SER 2 Ca 0.00 0.25 -0.27 0.00 1.31 0.00 0.00 55.95 57.24 1x45 s SER 2 Cb 0.00 0.16 -0.27 0.00 0.21 0.00 0.00 66.02 66.13 1x45 s SER 2 CO 0.00 -0.12 0.76 0.28 0.41 0.00 0.00 173.24 174.57 1x45 h SER 3 N 6.98 0.09 0.00 2.44 0.02 -1.98 -3.47 113.55 117.64 1x45 h SER 3 Ca -0.40 -0.96 0.00 0.00 -0.84 0.00 0.00 61.79 59.59 1x45 h SER 3 Cb 1.15 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1x45 h SER 3 CO 0.43 1.11 0.00 0.61 -1.14 0.00 0.00 176.83 177.84 1x45 n GLY 4 N 1.61 1.42 3.64 -3.77 0.00 -1.26 -4.55 105.19 102.28 1x45 n GLY 4 Ca -0.12 -1.00 -0.05 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.36 -0.57 1.61 1.04 -1.26 -5.09 113.70 109.07 1x45 s SER 5 Ca 0.00 0.65 -0.26 0.00 0.48 0.00 0.00 55.95 56.82 1x45 s SER 5 Cb 0.00 0.83 -0.09 0.00 0.10 0.00 0.00 66.02 66.86 1x45 s SER 5 CO 0.00 -0.11 2.42 -1.20 0.98 0.00 0.00 173.24 175.33 1x45 n SER 6 N 2.55 2.18 -0.69 7.02 7.64 -1.26 -4.75 113.62 126.31 1x45 n SER 6 Ca -0.14 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 59.00 1x45 n SER 6 Cb 0.57 -1.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 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 6.20 0.55 3.73 0.23 0.00 -0.04 -4.91 105.19 110.95 1x45 n GLY 7 Ca 0.40 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.08 6.46 0.06 1.61 -4.77 -1.26 -1.63 116.67 117.05 1x45 s ASP 8 Ca 0.00 2.80 0.08 0.00 -3.30 0.00 0.00 52.55 52.13 1x45 s ASP 8 Cb 0.00 -2.61 -0.03 0.00 -1.09 0.00 0.00 42.92 39.19 1x45 s ASP 8 CO 0.00 -0.90 -0.22 -0.69 0.70 0.00 0.00 175.17 174.06 1x45 s VAL 9 N 0.80 1.79 -0.22 2.11 1.01 0.22 -4.90 120.40 121.21 1x45 s VAL 9 Ca 0.70 -1.31 -0.00 0.00 0.00 0.00 0.00 61.98 61.36 1x45 s VAL 9 Cb -0.47 -1.56 0.06 0.00 0.00 0.00 0.00 36.38 34.41 1x45 s VAL 9 CO 0.36 0.19 -0.02 -0.36 0.00 0.00 0.00 175.10 175.27 1x45 s PHE 10 N -0.87 1.94 -0.35 5.22 0.40 -1.26 -0.30 117.98 122.76 1x45 s PHE 10 Ca 0.08 -1.47 -0.21 0.00 -0.60 0.00 0.00 56.93 54.74 1x45 s PHE 10 Cb -0.09 -1.41 0.00 0.00 0.51 0.00 0.00 43.02 42.03 1x45 s PHE 10 CO 0.02 -0.72 0.65 0.42 0.70 0.00 0.00 175.22 176.29 1x45 s ILE 11 N 1.55 4.88 -0.42 0.64 -1.09 -0.42 -4.94 121.20 121.39 1x45 s ILE 11 Ca -0.04 0.63 -0.16 0.00 -2.23 0.00 0.00 60.65 58.85 1x45 s ILE 11 Cb -0.18 -4.08 0.03 0.00 -1.58 0.00 0.00 42.46 36.64 1x45 s ILE 11 CO -0.07 -0.31 0.37 -1.61 -1.23 0.00 0.00 174.94 172.09 1x45 s GLU 12 N 2.74 3.02 0.19 2.79 2.02 -1.26 -2.16 118.70 126.04 1x45 s GLU 12 Ca 0.25 -0.95 0.03 0.00 0.02 0.00 0.00 54.97 54.32 1x45 s GLU 12 Cb -0.14 -3.99 -0.01 0.00 0.10 0.00 0.00 34.13 30.08 1x45 s GLU 12 CO 0.15 -0.83 0.11 0.36 0.02 0.00 0.00 175.26 175.07 1x45 n LYS 13 N 5.37 0.46 -4.01 1.61 2.85 0.80 -4.92 118.16 120.32 1x45 n LYS 13 Ca -0.10 -1.76 -0.32 0.00 -1.05 0.00 0.00 58.31 55.08 1x45 n LYS 13 Cb 0.47 1.21 -0.06 0.00 -0.65 0.00 0.00 35.03 36.00 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 3.16 0.49 -1.58 -0.21 -1.26 -4.35 119.66 113.15 1x45 s GLN 14 Ca 0.16 -0.51 -0.23 0.00 0.02 0.00 0.00 55.36 54.80 1x45 s GLN 14 Cb 0.01 -2.90 -0.07 0.00 1.00 0.00 0.00 33.01 31.05 1x45 s GLN 14 CO 0.11 0.62 1.26 0.15 -2.12 0.00 0.00 175.29 175.31 1x45 s LYS 15 N -2.16 3.54 0.00 2.91 1.02 -1.26 -2.92 119.74 120.87 1x45 s LYS 15 Ca 0.28 2.00 0.00 0.00 0.02 0.00 0.00 55.97 58.28 1x45 s LYS 15 Cb -0.12 -2.39 0.00 0.00 -0.52 0.00 0.00 37.83 34.79 1x45 s LYS 15 CO 0.21 -0.79 0.00 0.41 -0.92 0.00 0.00 175.35 174.25 1x45 n GLY 16 N 0.58 2.98 3.91 -3.33 0.00 0.13 -4.99 105.19 104.46 1x45 n GLY 16 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.17 3.60 0.62 1.61 0.41 -1.15 -4.96 118.70 118.67 1x45 s GLU 17 Ca 0.00 0.10 -0.05 0.00 -0.41 0.00 0.00 54.97 54.61 1x45 s GLU 17 Cb 0.00 -2.50 0.03 0.00 -1.78 0.00 0.00 34.13 29.88 1x45 s GLU 17 CO 0.00 0.00 0.92 0.96 -0.49 0.00 0.00 175.26 176.65 1x45 s ILE 18 N -2.42 3.06 -2.00 -1.63 -4.36 -1.26 -4.30 121.20 108.28 1x45 s ILE 18 Ca 0.46 -0.20 0.16 0.00 -0.26 0.00 0.00 60.65 60.81 1x45 s ILE 18 Cb -0.10 -3.24 0.44 0.00 1.25 0.00 0.00 42.46 40.81 1x45 s ILE 18 CO 0.37 -0.24 1.36 -0.11 0.24 0.00 0.00 174.94 176.56 1x45 n LEU 19 N -2.65 0.00 -3.88 0.37 7.94 -1.26 -4.53 117.00 112.98 1x45 n LEU 19 Ca 0.06 0.00 -0.27 0.00 -1.11 0.00 0.00 56.01 54.69 1x45 n LEU 19 Cb 0.59 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.50 1x45 n LEU 19 CO 0.51 0.00 -0.27 0.61 -1.11 0.00 0.00 177.39 177.14 1x45 n GLY 20 N 0.17 -0.27 3.39 -3.96 0.00 -1.26 -3.35 105.19 99.91 1x45 n GLY 20 Ca 0.12 0.17 -0.13 0.00 0.00 0.00 0.00 46.02 46.18 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 0.01 1.61 0.11 -1.26 -1.96 120.40 114.93 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 -0.07 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 34.05 1x45 s VAL 21 CO 0.72 0.00 0.09 -0.69 -3.33 0.00 0.00 175.10 171.89 1x45 s VAL 22 N 0.36 4.77 0.08 2.04 1.01 0.73 -4.99 120.40 124.41 1x45 s VAL 22 Ca -0.01 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.59 1x45 s VAL 22 Cb -0.04 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 1x45 s VAL 22 CO -0.01 0.31 -0.14 0.27 0.00 0.00 0.00 175.10 175.54 1x45 s ILE 23 N -1.24 1.17 0.28 2.22 -4.36 -1.26 -0.90 121.20 117.11 1x45 s ILE 23 Ca 0.24 -1.42 0.01 0.00 -0.26 0.00 0.00 60.65 59.22 1x45 s ILE 23 Cb -0.12 -1.20 -0.03 0.00 1.25 0.00 0.00 42.46 42.36 1x45 s ILE 23 CO 0.16 -0.28 0.28 0.68 0.24 0.00 0.00 174.94 176.02 1x45 s VAL 24 N -1.52 0.00 0.26 8.37 -7.23 0.36 -4.76 120.40 115.89 1x45 s VAL 24 Ca 0.01 -1.87 -0.31 0.00 -1.81 0.00 0.00 61.98 58.00 1x45 s VAL 24 Cb -0.09 -2.50 -0.12 0.00 0.56 0.00 0.00 36.38 34.23 1x45 s VAL 24 CO 0.02 0.00 1.55 -0.62 -0.31 0.00 0.00 175.10 175.74 1x45 n GLU 25 N -0.46 2.46 -0.78 4.82 1.02 -1.26 -1.66 120.64 124.77 1x45 n GLU 25 Ca 0.03 0.88 -0.08 0.00 -0.02 0.00 0.00 57.16 57.97 1x45 n GLU 25 Cb 0.63 -2.63 -0.12 0.00 -0.02 0.00 0.00 31.44 29.31 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 2.48 4.64 -2.98 1.62 7.64 -1.26 -4.65 113.62 121.10 1x45 n SER 26 Ca 0.11 -2.34 -0.18 0.00 1.01 0.00 0.00 58.87 57.48 1x45 n SER 26 Cb 0.34 -1.19 0.02 0.00 -1.01 0.00 0.00 64.21 62.37 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 2.33 0.09 2.50 0.23 0.00 -1.26 -4.20 105.19 104.88 1x45 n GLY 27 Ca 0.29 0.52 -0.20 0.00 0.00 0.00 0.00 46.02 46.63 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 0.48 0.13 0.00 1.61 7.02 -1.26 -3.27 117.44 122.15 1x45 n TRP 28 Ca -0.04 0.09 0.00 0.00 -1.02 0.00 0.00 57.50 56.53 1x45 n TRP 28 Cb 0.51 -0.80 0.00 0.00 -2.42 0.00 0.00 31.31 28.60 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 4.16 0.15 3.69 6.99 0.00 -1.26 -5.13 105.19 113.79 1x45 n GLY 29 Ca 0.48 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 3.14 0.12 1.61 1.04 -1.20 -4.90 113.70 113.50 1x45 s SER 30 Ca 0.00 2.14 -0.22 0.00 0.48 0.00 0.00 55.95 58.34 1x45 s SER 30 Cb 0.00 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.51 1x45 s SER 30 CO 0.00 -2.96 1.34 -0.38 0.98 0.00 0.00 173.24 172.22 1x45 n ILE 31 N -4.13 -0.49 -3.98 -1.02 -0.00 -1.26 -3.58 119.36 104.89 1x45 n ILE 31 Ca 0.11 2.09 -0.30 0.00 -0.00 0.00 0.00 62.75 64.65 1x45 n ILE 31 Cb 0.52 -2.61 -0.14 0.00 -0.00 0.00 0.00 39.64 37.41 1x45 n ILE 31 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 1x45 s LEU 32 N -9.32 4.51 -1.01 1.39 2.01 -1.26 -5.05 118.68 109.95 1x45 s LEU 32 Ca -0.09 -2.60 -0.24 0.00 0.01 0.00 0.00 54.13 51.21 1x45 s LEU 32 Cb 0.08 -1.63 -0.06 0.00 0.01 0.00 0.00 46.19 44.59 1x45 s LEU 32 CO 0.45 -0.30 1.94 -2.16 1.01 0.00 0.00 176.35 177.29 1x45 s PRO 33 N 0.28 2.54 0.00 1.29 0.04 -1.23 -4.71 135.00 133.20 1x45 s PRO 33 Ca 0.14 -0.64 0.00 0.00 0.04 0.00 0.00 61.00 60.54 1x45 s PRO 33 Cb -0.23 -5.14 0.00 0.00 0.04 0.00 0.00 34.50 29.18 1x45 s PRO 33 CO -0.04 -3.61 0.00 0.25 0.04 0.00 0.00 177.00 173.64 1x45 n THR 34 N 7.84 0.00 -3.64 1.26 -2.24 -1.26 -3.96 114.28 112.28 1x45 n THR 34 Ca 0.42 0.19 -0.04 0.00 -2.27 0.00 0.00 64.05 62.34 1x45 n THR 34 Cb 0.47 -1.17 -0.06 0.00 -2.10 0.00 0.00 70.33 67.47 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 -0.40 0.00 0.12 2.28 -7.23 -1.26 -4.37 120.40 109.55 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 -0.14 0.27 -0.31 0.00 0.00 175.10 174.92 1x45 s ILE 36 N -0.43 1.33 -0.06 -0.62 -4.36 -0.67 0.07 121.20 116.46 1x45 s ILE 36 Ca 0.06 -1.74 -0.30 0.00 -0.26 0.00 0.00 60.65 58.41 1x45 s ILE 36 Cb -0.03 -1.55 -0.05 0.00 1.25 0.00 0.00 42.46 42.08 1x45 s ILE 36 CO -0.10 -0.43 1.56 -0.63 0.24 0.00 0.00 174.94 175.58 1x45 s ILE 37 N -2.20 3.70 -0.15 8.37 1.09 -0.72 -0.48 121.20 130.80 1x45 s ILE 37 Ca 0.09 0.88 0.21 0.00 -1.10 0.00 0.00 60.65 60.73 1x45 s ILE 37 Cb -0.05 -3.57 -0.14 0.00 -1.06 0.00 0.00 42.46 37.64 1x45 s ILE 37 CO 0.03 -0.07 0.77 0.00 -0.10 0.00 0.00 174.94 175.57 1x45 n ALA 38 N 6.83 2.38 -3.58 9.38 0.00 -0.08 -2.56 120.51 132.88 1x45 n ALA 38 Ca 0.16 -0.46 -0.06 0.00 0.00 0.00 0.00 53.44 53.08 1x45 n ALA 38 Cb 0.43 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 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 -5.26 -0.20 0.06 0.00 3.84 -1.23 -5.00 114.94 107.16 1x45 s ASN 39 Ca -0.04 0.07 0.08 0.00 0.21 0.00 0.00 52.86 53.18 1x45 s ASN 39 Cb 0.10 0.19 -0.03 0.00 -0.55 0.00 0.00 41.25 40.97 1x45 s ASN 39 CO 0.83 -0.28 -0.23 -0.04 -2.79 0.00 0.00 177.10 174.59 1x45 s MET 40 N -2.14 1.45 0.54 0.43 -1.94 -1.26 -0.19 119.30 116.20 1x45 s MET 40 Ca 0.07 -1.04 -0.19 0.00 -1.71 0.00 0.00 55.69 52.82 1x45 s MET 40 Cb -0.01 -1.63 -0.06 0.00 2.01 0.00 0.00 34.83 35.15 1x45 s MET 40 CO -0.05 0.41 1.10 1.41 -0.01 0.00 0.00 175.02 177.88 1x45 s MET 41 N -1.35 3.41 -1.37 2.03 1.75 -0.83 -4.92 119.30 118.03 1x45 s MET 41 Ca 0.09 1.48 -0.15 0.00 -1.25 0.00 0.00 55.69 55.86 1x45 s MET 41 Cb -0.09 -2.03 0.07 0.00 2.84 0.00 0.00 34.83 35.62 1x45 s MET 41 CO 0.02 -0.78 1.96 0.72 -0.65 0.00 0.00 175.02 176.30 1x45 n HIS 42 N -1.40 4.05 0.00 4.11 8.25 -1.26 -3.27 115.22 125.71 1x45 n HIS 42 Ca 0.11 -2.93 0.00 0.00 -0.26 0.00 0.00 57.72 54.64 1x45 n HIS 42 Cb 0.52 -2.53 0.00 0.00 1.12 0.00 0.00 29.99 29.09 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 4.56 1.69 4.00 -1.41 0.00 -1.26 -5.15 105.19 107.62 1x45 n GLY 43 Ca 0.49 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.29 1x45 n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x45 s GLY 44 N -1.69 1.77 0.24 -0.02 0.00 -1.20 -4.95 107.32 101.47 1x45 s GLY 44 Ca 0.00 -1.73 0.02 0.00 0.00 0.00 0.00 44.72 43.00 1x45 s GLY 44 CO 0.00 -1.24 1.61 -0.56 0.00 0.00 0.00 173.10 172.92 1x45 h PRO 45 N -0.29 0.42 -0.26 2.90 0.13 -1.80 -1.83 132.00 131.27 1x45 h PRO 45 Ca -0.36 -0.22 -0.17 0.00 -0.87 0.00 0.00 66.00 64.37 1x45 h PRO 45 Cb 1.28 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1x45 h PRO 45 CO 0.42 0.79 -0.53 0.00 -0.23 0.00 0.00 178.00 178.45 1x45 h ALA 46 N 1.18 0.57 -0.06 -0.56 0.00 -1.76 0.39 119.26 119.02 1x45 h ALA 46 Ca 0.03 -0.51 -0.17 0.00 0.00 0.00 0.00 54.91 54.26 1x45 h ALA 46 Cb 0.92 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1x45 h ALA 46 CO 0.08 0.68 -0.69 1.49 0.00 0.00 0.00 179.25 180.81 1x45 h GLU 47 N 0.60 0.28 0.08 0.00 4.57 -1.77 -3.20 114.58 115.14 1x45 h GLU 47 Ca 0.02 -0.22 -0.28 0.00 -1.18 0.00 0.00 59.36 57.70 1x45 h GLU 47 Cb 1.11 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.73 1x45 h GLU 47 CO 0.11 0.86 -1.38 0.87 -1.18 0.00 0.00 179.01 178.29 1x45 h LYS 48 N 0.19 0.17 -0.66 1.92 1.57 -1.29 -3.30 116.57 115.17 1x45 h LYS 48 Ca -0.02 -0.29 0.11 0.00 -1.87 0.00 0.00 60.65 58.58 1x45 h LYS 48 Cb 1.24 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 33.61 1x45 h LYS 48 CO 0.11 1.03 0.44 0.66 -0.57 0.00 0.00 179.45 181.13 1x45 h SER 49 N 0.05 0.42 -0.43 0.86 4.64 -0.23 -3.45 113.55 115.41 1x45 h SER 49 Ca -0.18 0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 60.98 1x45 h SER 49 Cb 1.95 -0.07 -0.07 0.00 -0.31 0.00 0.00 62.40 63.90 1x45 h SER 49 CO 0.15 0.25 -0.16 0.61 -0.87 0.00 0.00 176.83 176.81 1x45 n GLY 50 N -1.51 0.82 0.11 -0.77 0.00 -1.21 -4.80 105.19 97.82 1x45 n GLY 50 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 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 0.25 -6.08 1.61 1.79 -1.80 -3.40 116.57 108.94 1x45 h LYS 51 Ca -0.18 -0.42 -0.56 0.00 -2.18 0.00 0.00 60.65 57.31 1x45 h LYS 51 Cb 1.12 0.16 -0.04 0.00 -1.58 0.00 0.00 32.23 31.89 1x45 h LYS 51 CO 0.26 1.14 -0.28 -0.48 -1.08 0.00 0.00 179.45 179.01 1x45 s LEU 52 N -7.02 2.86 -0.12 2.94 -0.00 -1.26 -4.46 118.68 111.62 1x45 s LEU 52 Ca -0.07 -1.12 -0.22 0.00 -0.00 0.00 0.00 54.13 52.73 1x45 s LEU 52 Cb 0.07 -1.37 0.05 0.00 -0.00 0.00 0.00 46.19 44.94 1x45 s LEU 52 CO 0.86 -1.08 0.53 0.20 -0.00 0.00 0.00 176.35 176.87 1x45 s ASN 53 N -4.32 -0.51 -0.56 1.48 0.01 -1.26 -4.96 114.94 104.83 1x45 s ASN 53 Ca 0.40 0.76 -0.35 0.00 -0.71 0.00 0.00 52.86 52.96 1x45 s ASN 53 Cb -0.03 0.77 -0.15 0.00 0.41 0.00 0.00 41.25 42.25 1x45 s ASN 53 CO 0.25 -0.37 2.33 -0.38 -1.51 0.00 0.00 177.10 177.41 1x45 n ILE 54 N 1.88 0.06 0.00 0.60 2.08 -1.26 -0.17 119.36 122.55 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 -1.22 0.00 0.00 -0.75 0.00 0.00 39.64 38.23 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 6.71 0.86 3.74 7.39 0.00 -1.06 -5.01 105.19 117.82 1x45 n GLY 55 Ca 0.50 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.85 4.81 0.20 1.61 1.11 0.76 -4.18 116.67 120.13 1x45 s ASP 56 Ca 0.00 2.51 0.08 0.00 0.18 0.00 0.00 52.55 55.32 1x45 s ASP 56 Cb 0.00 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.34 1x45 s ASP 56 CO 0.00 -1.86 -0.03 0.00 1.18 0.00 0.00 175.17 174.46 1x45 s GLN 57 N -3.40 2.27 -0.33 8.23 -2.07 -1.03 -1.76 119.66 121.58 1x45 s GLN 57 Ca 0.80 -1.23 -0.08 0.00 -1.82 0.00 0.00 55.36 53.03 1x45 s GLN 57 Cb -0.34 -2.25 0.02 0.00 -1.09 0.00 0.00 33.01 29.35 1x45 s GLN 57 CO 0.37 0.43 0.13 0.42 -1.32 0.00 0.00 175.29 175.32 1x45 s ILE 58 N -1.86 4.12 0.10 3.63 1.01 0.11 0.33 121.20 128.64 1x45 s ILE 58 Ca 0.28 -0.84 -0.17 0.00 0.00 0.00 0.00 60.65 59.92 1x45 s ILE 58 Cb -0.08 -3.23 -0.06 0.00 0.01 0.00 0.00 42.46 39.10 1x45 s ILE 58 CO 0.18 -0.07 1.53 0.24 0.00 0.00 0.00 174.94 176.82 1x45 h MET 59 N 8.29 0.57 -3.39 2.79 2.86 -0.24 -3.38 114.93 122.44 1x45 h MET 59 Ca -0.28 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.15 1x45 h MET 59 Cb 1.11 -0.05 -0.09 0.00 0.06 0.00 0.00 31.60 32.63 1x45 h MET 59 CO 0.62 0.72 -0.01 -1.54 1.06 0.00 0.00 176.91 177.76 1x45 s SER 60 N -6.09 -0.20 -0.29 1.22 1.04 -1.23 -3.00 113.70 105.14 1x45 s SER 60 Ca -0.13 -0.62 0.01 0.00 0.48 0.00 0.00 55.95 55.69 1x45 s SER 60 Cb 0.09 0.59 0.08 0.00 0.10 0.00 0.00 66.02 66.88 1x45 s SER 60 CO 0.77 -1.09 0.02 -0.63 0.98 0.00 0.00 173.24 173.29 1x45 s ILE 61 N -3.92 1.55 -1.51 -1.02 1.01 0.32 -1.66 121.20 115.97 1x45 s ILE 61 Ca 0.13 -1.61 -0.01 0.00 0.00 0.00 0.00 60.65 59.16 1x45 s ILE 61 Cb -0.01 -2.02 0.00 0.00 0.01 0.00 0.00 42.46 40.44 1x45 s ILE 61 CO 0.01 -0.42 0.11 0.59 0.00 0.00 0.00 174.94 175.22 1x45 n ASN 62 N 4.60 -5.33 0.00 3.58 3.02 0.25 -1.85 115.26 119.53 1x45 n ASN 62 Ca -0.04 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 1x45 n ASN 62 Cb 0.43 -4.36 0.00 0.00 -0.61 0.00 0.00 39.78 35.24 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 -1.10 0.83 3.29 7.41 0.00 -1.26 -5.03 105.19 109.33 1x45 n GLY 63 Ca -0.19 -0.04 -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 3.96 0.17 2.61 2.01 -0.77 -5.07 115.64 116.55 1x45 s THR 64 Ca 0.00 -1.09 -0.31 0.00 0.31 0.00 0.00 61.69 60.60 1x45 s THR 64 Cb 0.00 -3.25 -0.09 0.00 0.01 0.00 0.00 72.50 69.17 1x45 s THR 64 CO 0.00 -0.21 1.47 -0.94 -0.69 0.00 0.00 174.62 174.25 1x45 s SER 65 N 1.46 6.69 -0.16 3.53 1.04 -1.26 -0.52 113.70 124.48 1x45 s SER 65 Ca -0.01 2.53 0.19 0.00 0.48 0.00 0.00 55.95 59.14 1x45 s SER 65 Cb -0.20 -2.60 -0.26 0.00 0.10 0.00 0.00 66.02 63.06 1x45 s SER 65 CO 0.04 -0.72 0.16 0.18 0.98 0.00 0.00 173.24 173.88 1x45 n LEU 66 N 3.46 0.03 -3.68 2.42 4.77 -1.16 -4.91 117.00 117.92 1x45 n LEU 66 Ca 0.11 0.01 -0.51 0.00 -0.03 0.00 0.00 56.01 55.59 1x45 n LEU 66 Cb 0.40 0.40 -0.07 0.00 -2.33 0.00 0.00 43.42 41.82 1x45 n LEU 66 CO 0.60 0.41 0.73 0.55 -1.33 0.00 0.00 177.39 178.35 1x45 n VAL 67 N -2.67 0.00 0.00 4.08 3.14 -1.26 0.49 118.33 122.11 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 1.05 -0.24 0.00 0.00 -1.06 0.00 0.00 33.84 33.59 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 2.39 2.92 3.76 7.55 0.00 -1.25 -5.03 105.19 115.52 1x45 n GLY 68 Ca 0.21 -0.79 -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 4.02 0.62 0.99 1.43 0.18 -4.97 118.68 120.96 1x45 s LEU 69 Ca 0.00 2.88 -0.16 0.00 -1.03 0.00 0.00 54.13 55.81 1x45 s LEU 69 Cb 0.00 -4.05 -0.02 0.00 0.03 0.00 0.00 46.19 42.16 1x45 s LEU 69 CO 0.00 -1.32 1.12 -2.16 0.23 0.00 0.00 176.35 174.22 1x45 s PRO 70 N -2.61 2.96 0.42 1.29 0.04 -1.26 -4.78 135.00 131.07 1x45 s PRO 70 Ca 0.65 1.46 0.16 0.00 0.04 0.00 0.00 61.00 63.30 1x45 s PRO 70 Cb -0.43 -1.97 1.04 0.00 0.04 0.00 0.00 34.50 33.19 1x45 s PRO 70 CO 0.54 -1.13 1.90 1.25 0.04 0.00 0.00 177.00 179.60 1x45 h LEU 71 N 0.38 0.41 -0.12 -3.56 5.85 -1.93 -0.33 115.31 116.00 1x45 h LEU 71 Ca -0.48 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 1x45 h LEU 71 Cb 1.25 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 1x45 h LEU 71 CO 0.55 0.20 -0.02 0.28 -0.34 0.00 0.00 178.44 179.11 1x45 h SER 72 N 0.43 0.24 0.55 1.25 0.02 -1.98 -2.78 113.55 111.27 1x45 h SER 72 Ca 0.40 -0.35 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1x45 h SER 72 Cb 0.91 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 63.39 1x45 h SER 72 CO -0.14 0.53 -0.26 0.74 -1.14 0.00 0.00 176.83 176.57 1x45 h THR 73 N -0.07 0.42 -0.93 -2.27 2.02 -1.62 -2.97 112.91 107.48 1x45 h THR 73 Ca 0.03 -0.22 0.27 0.00 0.77 0.00 0.00 66.41 67.26 1x45 h THR 73 Cb 0.43 0.50 -0.15 0.00 -1.74 0.00 0.00 68.15 67.19 1x45 h THR 73 CO 0.01 0.03 0.36 0.00 0.37 0.00 0.00 175.52 176.29 1x45 h GLN 75 N 0.24 0.66 -0.42 0.00 4.20 -1.33 -2.10 115.11 116.35 1x45 h GLN 75 Ca 0.63 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 59.33 1x45 h GLN 75 Cb 1.36 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.96 1x45 h GLN 75 CO -0.66 0.43 0.22 1.03 -0.67 0.00 0.00 178.83 179.19 1x45 h SER 76 N 0.68 0.33 -0.05 1.46 0.87 -0.08 -0.51 113.55 116.23 1x45 h SER 76 Ca 0.33 0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.92 1x45 h SER 76 Cb 0.26 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1x45 h SER 76 CO -0.22 0.23 0.13 0.40 -0.53 0.00 0.00 176.83 176.85 1x45 h ILE 77 N 0.44 0.21 0.00 2.23 2.04 -1.07 0.19 117.51 121.55 1x45 h ILE 77 Ca 0.18 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.04 1x45 h ILE 77 Cb 0.07 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1x45 h ILE 77 CO -0.12 0.00 -0.93 0.40 0.00 0.00 0.00 178.15 177.50 1x45 h ILE 78 N 0.00 0.00 0.00 -0.67 2.04 -0.85 -3.33 117.51 114.70 1x45 h ILE 78 Ca 0.03 -0.98 -0.08 0.00 1.00 0.00 0.00 64.86 64.82 1x45 h ILE 78 Cb 0.28 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1x45 h ILE 78 CO -0.00 0.00 -0.39 0.11 0.00 0.00 0.00 178.15 177.87 1x45 h LYS 79 N 0.00 0.00 -0.99 2.37 1.57 0.12 -3.05 116.57 116.59 1x45 h LYS 79 Ca 0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1x45 h LYS 79 Cb 0.99 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.22 1x45 h LYS 79 CO 0.00 0.39 0.17 0.41 -0.57 0.00 0.00 179.45 179.85 1x45 n GLY 80 N 0.23 2.62 0.16 3.86 0.00 -1.15 -3.45 105.19 107.47 1x45 n GLY 80 Ca -0.00 -0.29 0.02 0.00 0.00 0.00 0.00 46.02 45.74 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 0.06 1.25 0.19 0.99 4.77 -1.15 -4.59 117.00 118.52 1x45 n LEU 81 Ca 0.16 -0.95 0.04 0.00 -0.03 0.00 0.00 56.01 55.23 1x45 n LEU 81 Cb 0.80 0.00 0.38 0.00 -2.33 0.00 0.00 43.42 42.27 1x45 n LEU 81 CO 0.16 0.27 0.74 0.50 -1.33 0.00 0.00 177.39 177.73 1x45 h LYS 82 N 0.80 0.00 -0.71 3.23 3.64 -1.74 -2.40 116.57 119.39 1x45 h LYS 82 Ca 0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1x45 h LYS 82 Cb 0.18 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.93 1x45 h LYS 82 CO 0.00 0.35 0.14 0.09 -2.27 0.00 0.00 179.45 177.77 1x45 n ASN 83 N -4.00 4.99 -3.65 4.20 3.02 -1.26 0.17 115.26 118.72 1x45 n ASN 83 Ca -0.02 -3.01 -0.28 0.00 -0.03 0.00 0.00 54.58 51.24 1x45 n ASN 83 Cb 0.40 -0.71 -0.12 0.00 -0.61 0.00 0.00 39.78 38.75 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 -2.72 1.38 0.17 3.52 -0.21 -0.90 -4.92 119.66 115.97 1x45 s GLN 84 Ca 0.51 -2.26 -0.16 0.00 0.02 0.00 0.00 55.36 53.46 1x45 s GLN 84 Cb 0.40 -2.24 0.14 0.00 1.00 0.00 0.00 33.01 32.31 1x45 s GLN 84 CO 0.14 -1.25 1.24 -1.13 -2.12 0.00 0.00 175.29 172.16 1x45 n SER 85 N 3.07 -0.59 -4.50 5.90 3.41 -1.26 -3.97 113.62 115.68 1x45 n SER 85 Ca 0.17 1.40 -0.35 0.00 -0.26 0.00 0.00 58.87 59.83 1x45 n SER 85 Cb 0.38 -0.29 -0.12 0.00 -0.26 0.00 0.00 64.21 63.92 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 -5.68 3.71 -0.03 4.33 3.52 -1.26 -0.14 118.95 123.40 1x45 s ARG 86 Ca -0.11 -0.47 0.03 0.00 -0.13 0.00 0.00 55.73 55.05 1x45 s ARG 86 Cb 0.15 -3.12 0.00 0.00 -1.56 0.00 0.00 34.95 30.42 1x45 s ARG 86 CO 0.56 0.08 -0.10 0.08 -0.81 0.00 0.00 175.30 175.10 1x45 s VAL 87 N 0.85 0.88 -0.17 7.11 1.01 -0.92 -5.01 120.40 124.16 1x45 s VAL 87 Ca 0.02 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 61.47 1x45 s VAL 87 Cb -0.14 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 1x45 s VAL 87 CO 0.02 0.27 0.20 -0.75 0.00 0.00 0.00 175.10 174.84 1x45 s LYS 88 N 0.19 4.13 -0.03 2.72 2.20 -1.26 -1.30 119.74 126.39 1x45 s LYS 88 Ca -0.04 -0.07 -0.05 0.00 -0.36 0.00 0.00 55.97 55.46 1x45 s LYS 88 Cb -0.09 -3.39 0.01 0.00 -1.51 0.00 0.00 37.83 32.84 1x45 s LYS 88 CO 0.01 0.34 0.12 -0.51 -0.36 0.00 0.00 175.35 174.94 1x45 s LEU 89 N 0.22 1.58 -0.27 5.43 1.43 0.59 0.88 118.68 128.54 1x45 s LEU 89 Ca 0.12 0.12 -0.15 0.00 -1.03 0.00 0.00 54.13 53.20 1x45 s LEU 89 Cb -0.12 0.45 -0.04 0.00 0.03 0.00 0.00 46.19 46.51 1x45 s LEU 89 CO 0.01 -0.12 0.37 0.21 0.23 0.00 0.00 176.35 177.05 1x45 s ASN 90 N -0.29 6.24 0.10 2.29 3.04 -0.66 0.72 114.94 126.38 1x45 s ASN 90 Ca -0.04 0.25 0.04 0.00 0.04 0.00 0.00 52.86 53.15 1x45 s ASN 90 Cb -0.03 -2.21 -0.04 0.00 -1.54 0.00 0.00 41.25 37.44 1x45 s ASN 90 CO 0.00 -0.19 0.05 -0.63 -3.04 0.00 0.00 177.10 173.29 1x45 s ILE 91 N 2.06 4.26 -0.25 -5.21 -1.09 -0.65 0.53 121.20 120.86 1x45 s ILE 91 Ca 0.14 -0.94 -0.03 0.00 -2.23 0.00 0.00 60.65 57.60 1x45 s ILE 91 Cb -0.16 -3.07 0.11 0.00 -1.58 0.00 0.00 42.46 37.77 1x45 s ILE 91 CO 0.10 0.08 0.25 -0.69 -1.23 0.00 0.00 174.94 173.44 1x45 s VAL 92 N -1.43 -0.34 -0.28 2.92 1.01 0.15 -0.87 120.40 121.57 1x45 s VAL 92 Ca 0.28 -0.33 -0.39 0.00 0.00 0.00 0.00 61.98 61.54 1x45 s VAL 92 Cb -0.12 -0.84 -0.15 0.00 0.00 0.00 0.00 36.38 35.28 1x45 s VAL 92 CO 0.20 -0.36 1.82 -1.20 0.00 0.00 0.00 175.10 175.56 1x45 n SER 93 N 5.31 2.42 -2.96 3.32 7.64 -1.26 -2.45 113.62 125.64 1x45 n SER 93 Ca -0.04 0.99 -0.29 0.00 1.01 0.00 0.00 58.87 60.54 1x45 n SER 93 Cb 0.47 -1.17 -0.00 0.00 -1.01 0.00 0.00 64.21 62.51 1x45 n SER 93 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x45 n GLY 94 N 4.55 -1.95 0.00 0.23 0.00 -1.26 -4.76 105.19 102.00 1x45 n GLY 94 Ca 0.28 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.34 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 0.94 0.05 -4.14 1.61 -0.04 -1.26 -4.64 135.00 127.52 1x45 n PRO 95 Ca 0.07 0.23 -0.34 0.00 -0.04 0.00 0.00 63.50 63.42 1x45 n PRO 95 Cb 0.28 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.14 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 -2.90 5.36 0.38 3.54 1.04 -1.26 -5.07 113.70 114.79 1x45 s SER 96 Ca 0.08 0.02 -0.24 0.00 0.48 0.00 0.00 55.95 56.29 1x45 s SER 96 Cb 0.09 -1.90 -0.12 0.00 0.10 0.00 0.00 66.02 64.19 1x45 s SER 96 CO 0.25 0.18 0.76 -1.54 0.98 0.00 0.00 173.24 173.87 1x45 n SER 97 N 3.48 0.08 0.00 7.02 3.41 -1.26 -5.16 113.62 121.19 1x45 n SER 97 Ca -0.17 1.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.45 1x45 n SER 97 Cb 0.52 -1.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 1x45 n SER 97 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49