#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x45 s SER 2 N 0.00 5.09 0.31 1.61 0.01 -1.26 -5.10 113.70 114.35 1x45 s SER 2 Ca 0.00 -0.13 0.02 0.00 1.31 0.00 0.00 55.95 57.15 1x45 s SER 2 Cb 0.00 -1.88 -0.03 0.00 0.21 0.00 0.00 66.02 64.32 1x45 s SER 2 CO 0.00 0.08 0.48 -0.44 0.41 0.00 0.00 173.24 173.77 1x45 s SER 3 N 0.92 6.31 0.00 2.44 0.01 -1.26 -5.11 113.70 117.01 1x45 s SER 3 Ca 0.02 0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.62 1x45 s SER 3 Cb -0.14 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 64.11 1x45 s SER 3 CO 0.02 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1x45 n GLY 4 N -1.60 2.26 2.80 3.44 0.00 -1.26 -5.04 105.19 105.79 1x45 n GLY 4 Ca -0.06 -1.06 -0.15 0.00 0.00 0.00 0.00 46.02 44.74 1x45 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x45 s SER 5 N -0.84 1.01 -0.15 1.61 0.01 -1.26 -5.12 113.70 108.96 1x45 s SER 5 Ca 0.00 -0.08 -0.04 0.00 1.31 0.00 0.00 55.95 57.14 1x45 s SER 5 Cb 0.00 0.62 0.07 0.00 0.21 0.00 0.00 66.02 66.92 1x45 s SER 5 CO 0.00 -0.32 0.22 -0.94 0.41 0.00 0.00 173.24 172.62 1x45 s SER 6 N 2.40 0.88 0.00 2.44 1.04 -1.26 -4.64 113.70 114.55 1x45 s SER 6 Ca 0.09 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.70 1x45 s SER 6 Cb -0.16 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1x45 s SER 6 CO -0.13 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.42 1x45 n GLY 7 N 5.33 -0.86 3.66 7.32 0.00 -0.86 -4.98 105.19 114.82 1x45 n GLY 7 Ca -0.05 -0.92 -0.48 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 0.63 2.98 -4.31 1.61 5.68 -1.26 -2.59 116.55 119.29 1x45 n ASP 8 Ca 0.00 1.06 -0.28 0.00 -0.50 0.00 0.00 54.79 55.06 1x45 n ASP 8 Cb 0.00 -1.37 -0.14 0.00 -1.14 0.00 0.00 41.12 38.46 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 1.76 1.97 -0.23 2.12 1.01 0.20 -4.94 120.40 122.29 1x45 s VAL 9 Ca 0.84 -1.32 -0.00 0.00 0.00 0.00 0.00 61.98 61.50 1x45 s VAL 9 Cb -0.73 -1.69 0.06 0.00 0.00 0.00 0.00 36.38 34.02 1x45 s VAL 9 CO 0.43 0.31 -0.02 -0.36 0.00 0.00 0.00 175.10 175.46 1x45 s PHE 10 N -0.80 1.99 -0.41 5.22 0.40 -1.26 -0.21 117.98 122.91 1x45 s PHE 10 Ca 0.10 -1.51 -0.21 0.00 -0.60 0.00 0.00 56.93 54.71 1x45 s PHE 10 Cb -0.10 -1.44 0.02 0.00 0.51 0.00 0.00 43.02 42.02 1x45 s PHE 10 CO 0.02 -0.73 0.69 0.42 0.70 0.00 0.00 175.22 176.32 1x45 s ILE 11 N 1.53 4.79 -0.46 0.64 -1.09 -0.25 -4.93 121.20 121.43 1x45 s ILE 11 Ca -0.04 0.37 -0.22 0.00 -2.23 0.00 0.00 60.65 58.54 1x45 s ILE 11 Cb -0.18 -4.20 0.03 0.00 -1.58 0.00 0.00 42.46 36.52 1x45 s ILE 11 CO -0.07 -0.54 0.72 -1.61 -1.23 0.00 0.00 174.94 172.20 1x45 s GLU 12 N 2.93 3.31 0.18 2.79 2.02 -1.26 -2.57 118.70 126.11 1x45 s GLU 12 Ca 0.26 -0.32 0.03 0.00 0.02 0.00 0.00 54.97 54.96 1x45 s GLU 12 Cb -0.14 -3.97 -0.01 0.00 0.10 0.00 0.00 34.13 30.11 1x45 s GLU 12 CO 0.19 -1.11 0.10 0.36 0.02 0.00 0.00 175.26 174.82 1x45 n LYS 13 N 6.52 0.50 -4.38 1.61 2.85 -0.55 -4.88 118.16 119.82 1x45 n LYS 13 Ca -0.00 -1.67 -0.32 0.00 -1.05 0.00 0.00 58.31 55.27 1x45 n LYS 13 Cb 0.48 1.12 -0.10 0.00 -0.65 0.00 0.00 35.03 35.88 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 -2.72 2.53 0.82 -1.58 -1.52 -1.26 -4.40 119.66 111.53 1x45 s GLN 14 Ca 0.15 -0.75 -0.13 0.00 -1.95 0.00 0.00 55.36 52.67 1x45 s GLN 14 Cb 0.01 -2.50 0.07 0.00 -0.22 0.00 0.00 33.01 30.37 1x45 s GLN 14 CO 0.10 0.59 1.06 1.63 -0.25 0.00 0.00 175.29 178.42 1x45 n LYS 15 N 1.35 0.10 0.00 2.91 5.02 -1.26 -2.36 118.16 123.93 1x45 n LYS 15 Ca -0.15 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1x45 n LYS 15 Cb 0.52 -2.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 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 0.72 2.54 3.84 0.72 0.00 0.76 -4.97 105.19 108.81 1x45 n GLY 16 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1x45 n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x45 s GLU 17 N 0.00 3.07 0.66 1.61 0.41 -0.99 -4.98 118.70 118.47 1x45 s GLU 17 Ca 0.00 -0.80 -0.07 0.00 -0.41 0.00 0.00 54.97 53.69 1x45 s GLU 17 Cb 0.00 -2.74 0.03 0.00 -1.78 0.00 0.00 34.13 29.65 1x45 s GLU 17 CO 0.00 0.49 0.98 0.96 -0.49 0.00 0.00 175.26 177.19 1x45 s ILE 18 N -1.77 3.02 -2.00 -1.63 -4.36 -1.26 -4.18 121.20 109.02 1x45 s ILE 18 Ca 0.32 -0.06 0.15 0.00 -0.26 0.00 0.00 60.65 60.80 1x45 s ILE 18 Cb -0.10 -3.25 0.42 0.00 1.25 0.00 0.00 42.46 40.78 1x45 s ILE 18 CO 0.25 -0.27 1.35 -0.11 0.24 0.00 0.00 174.94 176.40 1x45 n LEU 19 N -2.79 0.00 -4.40 0.37 7.94 -1.26 -4.57 117.00 112.29 1x45 n LEU 19 Ca 0.06 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 54.59 1x45 n LEU 19 Cb 0.59 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.47 1x45 n LEU 19 CO 0.53 0.00 -0.22 0.61 -1.11 0.00 0.00 177.39 177.20 1x45 n GLY 20 N 0.27 -0.32 3.28 -3.96 0.00 -1.26 -3.05 105.19 100.15 1x45 n GLY 20 Ca 0.11 0.11 -0.13 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 -3.59 0.00 -0.07 1.61 0.11 -1.26 -1.19 120.40 116.00 1x45 s VAL 21 Ca 0.56 -0.03 0.01 0.00 -2.93 0.00 0.00 61.98 59.58 1x45 s VAL 21 Cb -0.32 -0.55 -0.03 0.00 -1.53 0.00 0.00 36.38 33.95 1x45 s VAL 21 CO 1.00 -0.02 -0.07 -0.69 -3.33 0.00 0.00 175.10 171.98 1x45 s VAL 22 N 0.09 3.65 0.21 2.04 1.01 -0.08 -4.98 120.40 122.34 1x45 s VAL 22 Ca -0.01 -0.50 0.12 0.00 0.00 0.00 0.00 61.98 61.59 1x45 s VAL 22 Cb -0.03 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 1x45 s VAL 22 CO 0.01 0.59 -0.23 0.27 0.00 0.00 0.00 175.10 175.74 1x45 s ILE 23 N -0.75 2.39 0.26 2.22 -4.36 -1.26 0.02 121.20 119.71 1x45 s ILE 23 Ca 0.11 -2.12 -0.02 0.00 -0.26 0.00 0.00 60.65 58.36 1x45 s ILE 23 Cb -0.11 -2.17 -0.03 0.00 1.25 0.00 0.00 42.46 41.40 1x45 s ILE 23 CO 0.01 -0.19 0.27 0.68 0.24 0.00 0.00 174.94 175.96 1x45 s VAL 24 N -1.87 0.00 0.41 8.37 -7.23 0.14 -4.72 120.40 115.49 1x45 s VAL 24 Ca 0.23 -1.83 -0.27 0.00 -1.81 0.00 0.00 61.98 58.30 1x45 s VAL 24 Cb -0.07 -2.47 -0.10 0.00 0.56 0.00 0.00 36.38 34.30 1x45 s VAL 24 CO 0.11 0.00 1.44 -0.62 -0.31 0.00 0.00 175.10 175.72 1x45 n GLU 25 N -0.40 2.42 0.00 4.82 4.71 -1.26 -0.64 120.64 130.28 1x45 n GLU 25 Ca 0.02 0.85 0.05 0.00 -0.01 0.00 0.00 57.16 58.08 1x45 n GLU 25 Cb 0.64 -2.61 0.31 0.00 -1.01 0.00 0.00 31.44 28.77 1x45 n GLU 25 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1x45 n SER 26 N 0.21 0.00 -0.54 1.62 2.88 -1.26 -4.55 113.62 111.97 1x45 n SER 26 Ca 0.03 -1.14 -0.05 0.00 -1.33 0.00 0.00 58.87 56.38 1x45 n SER 26 Cb 0.40 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.85 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 0.34 0.34 3.52 0.46 0.00 -1.26 -3.71 105.19 104.88 1x45 n GLY 27 Ca 0.08 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.66 -0.76 0.01 1.61 7.02 -1.26 -4.71 117.44 115.69 1x45 n TRP 28 Ca -0.06 0.44 -0.01 0.00 -1.02 0.00 0.00 57.50 56.84 1x45 n TRP 28 Cb 0.44 -1.34 -0.00 0.00 -2.42 0.00 0.00 31.31 27.99 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 -1.11 -0.09 3.32 6.99 0.00 -1.24 -5.02 105.19 108.03 1x45 n GLY 29 Ca 0.01 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1x45 n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x45 n SER 30 N -3.15 -2.89 -0.28 1.61 3.41 -1.26 -4.84 113.62 106.22 1x45 n SER 30 Ca -0.02 0.41 -0.12 0.00 -0.26 0.00 0.00 58.87 58.89 1x45 n SER 30 Cb 0.06 -1.07 -0.09 0.00 -0.26 0.00 0.00 64.21 62.85 1x45 n SER 30 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1x45 h ILE 31 N -0.88 0.01 -3.65 -1.33 5.03 -1.99 -3.21 117.51 111.49 1x45 h ILE 31 Ca -0.44 0.00 -0.75 0.00 -0.12 0.00 0.00 64.86 63.55 1x45 h ILE 31 Cb 1.32 0.01 -0.30 0.00 -3.03 0.00 0.00 36.82 34.82 1x45 h ILE 31 CO 0.35 0.00 -0.13 -0.76 -0.68 0.00 0.00 178.15 176.93 1x45 s LEU 32 N -10.45 6.08 -0.94 1.44 2.01 -1.26 -5.01 118.68 110.54 1x45 s LEU 32 Ca -0.13 -2.67 -0.24 0.00 0.01 0.00 0.00 54.13 51.09 1x45 s LEU 32 Cb 0.10 -2.06 -0.05 0.00 0.01 0.00 0.00 46.19 44.19 1x45 s LEU 32 CO 0.62 -0.51 1.94 -2.16 1.01 0.00 0.00 176.35 177.25 1x45 s PRO 33 N 0.21 2.55 0.00 1.29 0.04 -1.21 -4.71 135.00 133.16 1x45 s PRO 33 Ca 0.16 -0.40 0.00 0.00 0.04 0.00 0.00 61.00 60.80 1x45 s PRO 33 Cb -0.16 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 29.29 1x45 s PRO 33 CO -0.06 -3.45 0.00 0.25 0.04 0.00 0.00 177.00 173.79 1x45 n THR 34 N 7.86 0.00 -3.62 1.26 -2.24 -1.26 -4.01 114.28 112.28 1x45 n THR 34 Ca 0.41 0.14 -0.05 0.00 -2.27 0.00 0.00 64.05 62.28 1x45 n THR 34 Cb 0.47 -1.06 -0.04 0.00 -2.10 0.00 0.00 70.33 67.59 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 -0.39 0.00 0.04 2.28 -7.23 -1.26 -4.37 120.40 109.46 1x45 s VAL 35 Ca 0.00 0.00 0.03 0.00 -1.81 0.00 0.00 61.98 60.20 1x45 s VAL 35 Cb 0.00 -1.00 -0.02 0.00 0.56 0.00 0.00 36.38 35.92 1x45 s VAL 35 CO 0.00 0.00 -0.09 0.27 -0.31 0.00 0.00 175.10 174.97 1x45 s ILE 36 N -1.17 0.70 0.12 -0.62 -4.36 0.19 -1.65 121.20 114.41 1x45 s ILE 36 Ca 0.05 -0.99 -0.31 0.00 -0.26 0.00 0.00 60.65 59.14 1x45 s ILE 36 Cb -0.01 -0.71 -0.10 0.00 1.25 0.00 0.00 42.46 42.89 1x45 s ILE 36 CO -0.04 -0.23 1.76 -0.63 0.24 0.00 0.00 174.94 176.04 1x45 s ILE 37 N -1.11 2.58 -0.13 8.37 1.09 -0.66 0.25 121.20 131.59 1x45 s ILE 37 Ca -0.05 0.16 0.19 0.00 -1.10 0.00 0.00 60.65 59.85 1x45 s ILE 37 Cb -0.09 -3.11 -0.27 0.00 -1.06 0.00 0.00 42.46 37.94 1x45 s ILE 37 CO 0.01 0.00 0.31 0.00 -0.10 0.00 0.00 174.94 175.16 1x45 n ALA 38 N 5.35 2.02 -3.51 9.38 0.00 0.10 -2.79 120.51 131.05 1x45 n ALA 38 Ca 0.17 -0.95 -0.10 0.00 0.00 0.00 0.00 53.44 52.55 1x45 n ALA 38 Cb 0.38 -0.48 -0.03 0.00 0.00 0.00 0.00 19.45 19.32 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 -5.18 -0.43 -0.09 0.00 3.84 -1.18 -5.00 114.94 106.90 1x45 s ASN 39 Ca -0.08 0.18 0.03 0.00 0.21 0.00 0.00 52.86 53.20 1x45 s ASN 39 Cb 0.09 0.41 0.01 0.00 -0.55 0.00 0.00 41.25 41.21 1x45 s ASN 39 CO 0.86 -0.59 -0.18 -0.04 -2.79 0.00 0.00 177.10 174.35 1x45 s MET 40 N -2.48 2.42 0.51 0.43 -1.94 -1.26 -0.90 119.30 116.08 1x45 s MET 40 Ca 0.01 -0.65 -0.21 0.00 -1.71 0.00 0.00 55.69 53.13 1x45 s MET 40 Cb -0.01 -1.92 -0.09 0.00 2.01 0.00 0.00 34.83 34.82 1x45 s MET 40 CO -0.05 0.06 0.80 -0.12 -0.01 0.00 0.00 175.02 175.70 1x45 n MET 41 N 3.81 0.89 -1.54 2.03 1.56 -0.34 -4.83 117.12 118.70 1x45 n MET 41 Ca -0.20 0.33 -0.34 0.00 -0.27 0.00 0.00 57.70 57.22 1x45 n MET 41 Cb 0.52 -1.90 -0.04 0.00 2.15 0.00 0.00 33.22 33.94 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 -1.19 2.03 0.00 1.12 8.25 -1.26 -3.73 115.22 120.44 1x45 n HIS 42 Ca 0.11 -2.61 0.00 0.00 -0.26 0.00 0.00 57.72 54.96 1x45 n HIS 42 Cb 0.44 -1.97 0.00 0.00 1.12 0.00 0.00 29.99 29.57 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 2.37 0.14 1.83 -1.41 0.00 -1.26 -5.16 105.19 101.70 1x45 n GLY 43 Ca 0.64 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.55 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 2.36 0.24 -0.02 0.00 -1.24 -4.98 105.19 101.54 1x45 n GLY 44 Ca 0.00 -2.20 -0.10 0.00 0.00 0.00 0.00 46.02 43.72 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 0.06 1.61 0.13 -1.81 -2.47 132.00 130.22 1x45 h PRO 45 Ca -0.14 -0.37 -0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1x45 h PRO 45 Cb 0.60 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.74 1x45 h PRO 45 CO 0.22 0.98 -0.03 0.00 -0.23 0.00 0.00 178.00 178.94 1x45 h ALA 46 N 0.97 -0.08 -0.37 -0.56 0.00 -1.74 0.40 119.26 117.88 1x45 h ALA 46 Ca 0.05 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.76 1x45 h ALA 46 Cb 0.95 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1x45 h ALA 46 CO 0.09 -0.26 0.25 1.49 0.00 0.00 0.00 179.25 180.82 1x45 h GLU 47 N -0.64 0.22 0.16 0.00 4.57 -1.74 -2.09 114.58 115.05 1x45 h GLU 47 Ca -0.01 -0.01 -0.34 0.00 -1.18 0.00 0.00 59.36 57.82 1x45 h GLU 47 Cb 0.55 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1x45 h GLU 47 CO 0.01 0.14 -1.71 0.87 -1.18 0.00 0.00 179.01 177.15 1x45 h LYS 48 N 0.22 0.33 -0.76 1.92 1.57 -1.42 -3.33 116.57 115.11 1x45 h LYS 48 Ca 0.16 -0.57 0.16 0.00 -1.87 0.00 0.00 60.65 58.53 1x45 h LYS 48 Cb 0.37 0.21 -0.05 0.00 0.08 0.00 0.00 32.23 32.84 1x45 h LYS 48 CO -0.03 1.23 0.51 0.66 -0.57 0.00 0.00 179.45 181.25 1x45 h SER 49 N 0.09 0.37 -0.62 0.86 4.64 0.46 -3.45 113.55 115.91 1x45 h SER 49 Ca -0.32 0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 60.84 1x45 h SER 49 Cb 2.07 -0.05 -0.07 0.00 -0.31 0.00 0.00 62.40 64.03 1x45 h SER 49 CO 0.16 0.19 -0.17 0.61 -0.87 0.00 0.00 176.83 176.75 1x45 n GLY 50 N -1.53 0.87 0.08 -0.77 0.00 -0.93 -4.79 105.19 98.12 1x45 n GLY 50 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 0.00 1.61 1.79 -1.87 -3.46 116.57 114.64 1x45 h LYS 51 Ca -0.19 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.68 1x45 h LYS 51 Cb 0.99 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.55 1x45 h LYS 51 CO 0.28 0.92 -0.37 1.47 -1.08 0.00 0.00 179.45 180.66 1x45 n LEU 52 N -3.42 0.00 -3.57 2.94 -0.00 -1.26 -5.01 117.00 106.68 1x45 n LEU 52 Ca -0.00 -2.95 -0.14 0.00 -0.00 0.00 0.00 56.01 52.92 1x45 n LEU 52 Cb 0.88 0.17 -0.05 0.00 -0.00 0.00 0.00 43.42 44.42 1x45 n LEU 52 CO 0.46 -0.50 0.28 0.20 -0.00 0.00 0.00 177.39 177.83 1x45 s ASN 53 N -3.91 -0.44 -0.41 1.45 0.01 -1.26 -5.05 114.94 105.33 1x45 s ASN 53 Ca 0.14 0.16 -0.30 0.00 -0.71 0.00 0.00 52.86 52.15 1x45 s ASN 53 Cb -0.01 0.50 -0.09 0.00 0.41 0.00 0.00 41.25 42.05 1x45 s ASN 53 CO 0.09 -0.73 2.31 -0.38 -1.51 0.00 0.00 177.10 176.88 1x45 n ILE 54 N 0.36 0.13 0.00 0.60 2.08 -1.26 -0.86 119.36 120.41 1x45 n ILE 54 Ca -0.18 -0.45 0.00 0.00 0.56 0.00 0.00 62.75 62.67 1x45 n ILE 54 Cb 0.60 -2.15 0.00 0.00 -0.75 0.00 0.00 39.64 37.35 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 6.17 1.42 3.77 7.39 0.00 -1.12 -5.02 105.19 117.80 1x45 n GLY 55 Ca 0.39 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.05 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 5.90 0.15 1.61 1.11 -0.04 -3.39 116.67 120.82 1x45 s ASP 56 Ca 0.00 2.30 0.08 0.00 0.18 0.00 0.00 52.55 55.11 1x45 s ASP 56 Cb 0.00 -2.60 -0.04 0.00 1.07 0.00 0.00 42.92 41.35 1x45 s ASP 56 CO 0.00 -1.10 -0.09 0.00 1.18 0.00 0.00 175.17 175.16 1x45 s GLN 57 N -2.94 2.10 -0.34 8.23 -2.07 -1.01 -1.65 119.66 121.98 1x45 s GLN 57 Ca 0.68 -1.18 -0.13 0.00 -1.82 0.00 0.00 55.36 52.91 1x45 s GLN 57 Cb -0.28 -2.22 -0.02 0.00 -1.09 0.00 0.00 33.01 29.40 1x45 s GLN 57 CO 0.33 0.46 0.24 0.42 -1.32 0.00 0.00 175.29 175.42 1x45 s ILE 58 N -1.54 5.28 0.17 3.63 1.01 -0.66 0.24 121.20 129.33 1x45 s ILE 58 Ca 0.24 -0.17 -0.10 0.00 0.00 0.00 0.00 60.65 60.62 1x45 s ILE 58 Cb -0.10 -3.71 0.04 0.00 0.01 0.00 0.00 42.46 38.70 1x45 s ILE 58 CO 0.15 0.00 1.60 0.24 0.00 0.00 0.00 174.94 176.93 1x45 h MET 59 N 8.48 1.03 -3.18 2.79 2.86 -0.01 -3.41 114.93 123.49 1x45 h MET 59 Ca -0.31 -0.37 -0.01 0.00 -2.06 0.00 0.00 59.70 56.94 1x45 h MET 59 Cb 1.16 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.71 1x45 h MET 59 CO 0.63 1.06 0.17 -1.54 1.06 0.00 0.00 176.91 178.29 1x45 s SER 60 N -6.61 -0.04 -0.21 1.22 1.04 -1.24 -3.47 113.70 104.40 1x45 s SER 60 Ca -0.12 -0.93 -0.03 0.00 0.48 0.00 0.00 55.95 55.35 1x45 s SER 60 Cb 0.13 0.75 0.07 0.00 0.10 0.00 0.00 66.02 67.07 1x45 s SER 60 CO 0.86 -1.45 0.06 -0.63 0.98 0.00 0.00 173.24 173.06 1x45 s ILE 61 N -3.24 0.38 -1.28 -1.02 1.01 -0.61 -2.36 121.20 114.07 1x45 s ILE 61 Ca 0.16 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.23 1x45 s ILE 61 Cb -0.04 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.43 1x45 s ILE 61 CO 0.10 -0.32 0.00 0.59 0.00 0.00 0.00 174.94 175.31 1x45 n ASN 62 N 5.10 -3.99 0.00 3.58 3.02 0.10 -0.26 115.26 122.81 1x45 n ASN 62 Ca -0.08 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1x45 n ASN 62 Cb 0.46 -3.49 0.00 0.00 -0.61 0.00 0.00 39.78 36.14 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 -0.61 0.95 3.19 7.41 0.00 -1.26 -5.06 105.19 109.80 1x45 n GLY 63 Ca -0.15 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 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 3.57 0.21 2.61 2.01 0.64 -5.07 115.64 117.61 1x45 s THR 64 Ca 0.00 -1.66 -0.32 0.00 0.31 0.00 0.00 61.69 60.02 1x45 s THR 64 Cb 0.00 -3.26 -0.12 0.00 0.01 0.00 0.00 72.50 69.13 1x45 s THR 64 CO 0.00 -0.49 1.68 -1.54 -0.69 0.00 0.00 174.62 173.57 1x45 n SER 65 N 4.72 3.81 -0.32 3.53 3.41 -1.26 -1.58 113.62 125.94 1x45 n SER 65 Ca -0.07 1.08 0.09 0.00 -0.26 0.00 0.00 58.87 59.71 1x45 n SER 65 Cb 0.42 -1.55 -0.03 0.00 -0.26 0.00 0.00 64.21 62.79 1x45 n SER 65 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1x45 n LEU 66 N 3.59 1.57 -4.60 1.04 4.77 -1.23 -4.83 117.00 117.31 1x45 n LEU 66 Ca 0.15 -0.69 -0.45 0.00 -0.03 0.00 0.00 56.01 54.99 1x45 n LEU 66 Cb 0.34 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.39 1x45 n LEU 66 CO 0.64 0.31 1.76 0.52 -1.33 0.00 0.00 177.39 179.29 1x45 n VAL 67 N -0.44 0.43 0.00 4.08 0.31 -1.26 -1.52 118.33 119.92 1x45 n VAL 67 Ca 0.07 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 1x45 n VAL 67 Cb 0.37 -2.30 0.00 0.00 -0.91 0.00 0.00 33.84 31.00 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 5.51 3.09 3.64 2.92 0.00 -1.26 -5.04 105.19 114.05 1x45 n GLY 68 Ca 0.29 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 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 2.70 -4.75 0.99 4.77 -0.58 -4.95 117.00 115.18 1x45 n LEU 69 Ca 0.00 1.14 -0.31 0.00 -0.03 0.00 0.00 56.01 56.82 1x45 n LEU 69 Cb 0.00 -1.38 0.10 0.00 -2.33 0.00 0.00 43.42 39.81 1x45 n LEU 69 CO 0.00 -1.09 0.69 -2.16 -1.33 0.00 0.00 177.39 173.50 1x45 s PRO 70 N -1.82 1.98 0.41 3.23 0.04 -1.26 -4.77 135.00 132.81 1x45 s PRO 70 Ca 0.59 1.08 0.08 0.00 0.04 0.00 0.00 61.00 62.79 1x45 s PRO 70 Cb -0.61 -1.87 0.87 0.00 0.04 0.00 0.00 34.50 32.93 1x45 s PRO 70 CO 0.60 -1.81 2.03 1.25 0.04 0.00 0.00 177.00 179.11 1x45 h LEU 71 N -1.25 0.38 -0.26 -3.56 5.85 -1.92 -0.43 115.31 114.13 1x45 h LEU 71 Ca -0.45 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.16 1x45 h LEU 71 Cb 1.25 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 1x45 h LEU 71 CO 0.52 0.33 -0.18 0.28 -0.34 0.00 0.00 178.44 179.05 1x45 h SER 72 N 0.44 0.60 0.44 1.25 0.02 -1.99 -2.80 113.55 111.51 1x45 h SER 72 Ca 0.11 -0.44 -0.02 0.00 -0.84 0.00 0.00 61.79 60.60 1x45 h SER 72 Cb 0.04 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1x45 h SER 72 CO -0.02 0.91 -0.21 0.74 -1.14 0.00 0.00 176.83 177.11 1x45 h THR 73 N 0.29 0.40 -0.95 -2.27 2.02 -1.82 -2.85 112.91 107.74 1x45 h THR 73 Ca 0.05 -0.53 0.28 0.00 0.77 0.00 0.00 66.41 66.98 1x45 h THR 73 Cb 0.71 0.58 -0.15 0.00 -1.74 0.00 0.00 68.15 67.56 1x45 h THR 73 CO 0.05 0.07 0.43 0.00 0.37 0.00 0.00 175.52 176.43 1x45 h GLN 75 N 0.28 0.43 -0.75 0.00 4.20 -1.46 -2.76 115.11 115.05 1x45 h GLN 75 Ca 0.66 -0.05 0.11 0.00 0.06 0.00 0.00 58.65 59.42 1x45 h GLN 75 Cb 1.42 -0.08 -0.08 0.00 0.30 0.00 0.00 27.48 29.04 1x45 h GLN 75 CO -0.63 0.37 0.37 1.03 -0.67 0.00 0.00 178.83 179.30 1x45 h SER 76 N 0.38 0.46 0.34 1.46 0.87 -0.23 0.37 113.55 117.20 1x45 h SER 76 Ca 0.11 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1x45 h SER 76 Cb 0.07 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1x45 h SER 76 CO -0.02 0.24 0.00 0.40 -0.53 0.00 0.00 176.83 176.93 1x45 h ILE 77 N 0.60 0.00 0.00 2.23 2.04 -1.14 -1.44 117.51 119.80 1x45 h ILE 77 Ca 0.38 -0.16 -0.28 0.00 1.00 0.00 0.00 64.86 65.80 1x45 h ILE 77 Cb 0.45 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.54 1x45 h ILE 77 CO -0.30 0.00 -2.03 -0.38 0.00 0.00 0.00 178.15 175.43 1x45 n ILE 78 N -2.90 1.24 0.19 -0.67 5.41 0.98 -4.18 119.36 119.43 1x45 n ILE 78 Ca -0.01 -0.78 0.08 0.00 1.00 0.00 0.00 62.75 63.04 1x45 n ILE 78 Cb 0.14 -0.58 0.21 0.00 -0.71 0.00 0.00 39.64 38.71 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 -0.90 0.38 2.10 0.10 -3.14 116.57 115.11 1x45 h LYS 79 Ca -0.36 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.28 1x45 h LYS 79 Cb 1.94 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.27 1x45 h LYS 79 CO 0.04 0.26 0.01 0.41 -2.00 0.00 0.00 179.45 178.17 1x45 n GLY 80 N 0.86 1.95 0.75 0.07 0.00 -0.61 -3.46 105.19 104.73 1x45 n GLY 80 Ca 0.02 -0.25 0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 0.16 2.68 -0.13 0.99 4.77 -1.19 -4.47 117.00 119.82 1x45 n LEU 81 Ca 0.08 -1.30 -0.09 0.00 -0.03 0.00 0.00 56.01 54.66 1x45 n LEU 81 Cb 0.52 -0.10 0.05 0.00 -2.33 0.00 0.00 43.42 41.56 1x45 n LEU 81 CO 0.09 0.55 0.70 0.50 -1.33 0.00 0.00 177.39 177.90 1x45 h LYS 82 N 3.16 0.90 0.00 3.23 3.64 -1.72 -2.42 116.57 123.36 1x45 h LYS 82 Ca 0.00 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1x45 h LYS 82 Cb 0.73 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1x45 h LYS 82 CO 0.00 1.01 0.00 -1.71 -2.27 0.00 0.00 179.45 176.48 1x45 n ASN 83 N -4.12 0.51 -4.57 4.20 5.15 -1.26 -0.17 115.26 115.01 1x45 n ASN 83 Ca 0.00 0.64 -0.33 0.00 -0.60 0.00 0.00 54.58 54.30 1x45 n ASN 83 Cb 0.44 -0.74 -0.11 0.00 -0.53 0.00 0.00 39.78 38.83 1x45 n ASN 83 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1x45 s GLN 84 N -3.28 2.62 -0.12 1.20 -2.07 -0.91 -4.70 119.66 112.41 1x45 s GLN 84 Ca 0.04 -0.64 -0.07 0.00 -1.82 0.00 0.00 55.36 52.86 1x45 s GLN 84 Cb 0.09 -2.52 -0.06 0.00 -1.09 0.00 0.00 33.01 29.43 1x45 s GLN 84 CO 0.33 0.63 0.11 0.66 -1.32 0.00 0.00 175.29 175.70 1x45 h SER 85 N 4.98 0.00 -3.22 12.60 4.64 -1.79 -3.41 113.55 127.35 1x45 h SER 85 Ca -0.48 -0.19 -0.59 0.00 -0.47 0.00 0.00 61.79 60.06 1x45 h SER 85 Cb 1.17 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.19 1x45 h SER 85 CO 0.52 0.66 -0.16 -0.60 -0.87 0.00 0.00 176.83 176.38 1x45 s ARG 86 N -1.80 4.20 -0.02 4.77 3.52 -1.26 -1.48 118.95 126.87 1x45 s ARG 86 Ca -0.07 0.44 0.01 0.00 -0.13 0.00 0.00 55.73 55.97 1x45 s ARG 86 Cb 0.00 -3.35 0.02 0.00 -1.56 0.00 0.00 34.95 30.06 1x45 s ARG 86 CO 0.17 0.37 -0.01 0.08 -0.81 0.00 0.00 175.30 175.10 1x45 s VAL 87 N -0.05 0.18 -0.19 7.11 1.01 -1.06 -5.00 120.40 122.39 1x45 s VAL 87 Ca 0.25 0.03 -0.08 0.00 0.00 0.00 0.00 61.98 62.18 1x45 s VAL 87 Cb -0.16 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 1x45 s VAL 87 CO 0.11 0.12 0.08 -0.75 0.00 0.00 0.00 175.10 174.66 1x45 s LYS 88 N 0.72 4.01 -0.03 2.72 2.20 -1.26 -1.09 119.74 127.00 1x45 s LYS 88 Ca -0.07 -0.32 -0.07 0.00 -0.36 0.00 0.00 55.97 55.15 1x45 s LYS 88 Cb -0.10 -3.27 0.01 0.00 -1.51 0.00 0.00 37.83 32.96 1x45 s LYS 88 CO -0.01 0.25 0.15 -0.51 -0.36 0.00 0.00 175.35 174.87 1x45 s LEU 89 N 0.45 1.47 -0.29 5.43 1.43 0.71 0.03 118.68 127.91 1x45 s LEU 89 Ca 0.04 0.04 -0.14 0.00 -1.03 0.00 0.00 54.13 53.04 1x45 s LEU 89 Cb -0.12 0.63 -0.03 0.00 0.03 0.00 0.00 46.19 46.69 1x45 s LEU 89 CO 0.00 -0.23 0.33 0.21 0.23 0.00 0.00 176.35 176.89 1x45 s ASN 90 N -0.73 6.18 0.02 2.29 3.04 -0.99 0.60 114.94 125.35 1x45 s ASN 90 Ca -0.08 0.08 0.02 0.00 0.04 0.00 0.00 52.86 52.91 1x45 s ASN 90 Cb -0.05 -2.19 -0.04 0.00 -1.54 0.00 0.00 41.25 37.44 1x45 s ASN 90 CO 0.01 -0.20 0.04 -0.63 -3.04 0.00 0.00 177.10 173.28 1x45 s ILE 91 N 1.99 4.37 -0.22 -5.21 -1.09 -1.07 0.74 121.20 120.71 1x45 s ILE 91 Ca 0.12 -0.62 -0.04 0.00 -2.23 0.00 0.00 60.65 57.89 1x45 s ILE 91 Cb -0.16 -3.01 0.10 0.00 -1.58 0.00 0.00 42.46 37.82 1x45 s ILE 91 CO 0.11 0.30 0.24 -0.69 -1.23 0.00 0.00 174.94 173.66 1x45 s VAL 92 N -1.19 -0.35 -0.44 2.92 1.01 0.14 -2.02 120.40 120.46 1x45 s VAL 92 Ca 0.23 -0.16 -0.41 0.00 0.00 0.00 0.00 61.98 61.63 1x45 s VAL 92 Cb -0.12 -0.73 -0.18 0.00 0.00 0.00 0.00 36.38 35.36 1x45 s VAL 92 CO 0.14 -0.24 1.49 -0.24 0.00 0.00 0.00 175.10 176.25 1x45 n SER 93 N 5.32 1.00 -3.37 3.32 2.88 -1.26 -2.41 113.62 119.11 1x45 n SER 93 Ca -0.05 0.98 -0.12 0.00 -1.33 0.00 0.00 58.87 58.35 1x45 n SER 93 Cb 0.49 -0.78 0.11 0.00 -0.75 0.00 0.00 64.21 63.28 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 4.01 -1.95 0.00 0.46 0.00 -1.22 -4.74 105.19 101.75 1x45 n GLY 94 Ca 0.31 -0.63 0.06 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.32 0.49 -3.46 1.61 -0.04 -1.26 -4.67 135.00 126.35 1x45 n PRO 95 Ca 0.05 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.13 1x45 n PRO 95 Cb 0.23 -1.36 -0.08 0.00 -0.04 0.00 0.00 33.50 32.24 1x45 n PRO 95 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x45 s SER 96 N -1.87 6.33 0.64 3.54 0.01 -1.26 -5.07 113.70 116.02 1x45 s SER 96 Ca 0.17 0.38 -0.17 0.00 1.31 0.00 0.00 55.95 57.64 1x45 s SER 96 Cb 0.08 -2.20 -0.01 0.00 0.21 0.00 0.00 66.02 64.10 1x45 s SER 96 CO 0.13 -0.05 1.16 -0.55 0.41 0.00 0.00 173.24 174.34 1x45 s SER 97 N 1.13 5.02 0.00 2.44 0.15 -1.26 -5.06 113.70 116.12 1x45 s SER 97 Ca 0.15 2.21 0.00 0.00 0.70 0.00 0.00 55.95 59.01 1x45 s SER 97 Cb -0.15 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 1x45 s SER 97 CO 0.07 -1.70 0.00 0.61 1.20 0.00 0.00 173.24 173.43