#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 6.07 -0.07 1.61 0.15 -1.26 -5.06 113.70 115.14 1x45 s SER 2 Ca 0.00 0.64 -0.25 0.00 0.70 0.00 0.00 55.95 57.04 1x45 s SER 2 Cb 0.00 -1.95 0.06 0.00 -1.71 0.00 0.00 66.02 62.41 1x45 s SER 2 CO 0.00 -0.62 0.57 -0.55 1.20 0.00 0.00 173.24 173.84 1x45 s SER 3 N -4.15 -0.53 0.00 5.45 0.15 -1.26 -5.14 113.70 108.22 1x45 s SER 3 Ca 0.47 0.63 0.00 0.00 0.70 0.00 0.00 55.95 57.75 1x45 s SER 3 Cb -0.10 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 1x45 s SER 3 CO 0.41 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1x45 n GLY 4 N 1.34 -1.44 3.84 9.45 0.00 -1.26 -4.91 105.19 112.21 1x45 n GLY 4 Ca -0.19 -1.48 -0.27 0.00 0.00 0.00 0.00 46.02 44.08 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 -2.57 4.50 -0.22 1.61 1.04 -1.26 -5.03 113.70 111.77 1x45 s SER 5 Ca 0.00 -1.29 -0.01 0.00 0.48 0.00 0.00 55.95 55.14 1x45 s SER 5 Cb 0.00 0.24 0.02 0.00 0.10 0.00 0.00 66.02 66.39 1x45 s SER 5 CO 0.00 -0.94 -0.10 -0.94 0.98 0.00 0.00 173.24 172.24 1x45 s SER 6 N -4.12 3.97 0.00 7.02 1.04 -1.26 -4.66 113.70 115.68 1x45 s SER 6 Ca 0.30 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1x45 s SER 6 Cb -0.00 -1.61 0.00 0.00 0.10 0.00 0.00 66.02 64.51 1x45 s SER 6 CO 0.18 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.93 1x45 n GLY 7 N 4.65 -0.75 3.71 7.32 0.00 -0.34 -4.97 105.19 114.81 1x45 n GLY 7 Ca -0.18 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 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 6.64 0.17 1.61 -4.77 -1.26 -1.60 116.67 113.46 1x45 s ASP 8 Ca 0.00 2.53 0.11 0.00 -3.30 0.00 0.00 52.55 51.89 1x45 s ASP 8 Cb 0.00 -2.59 -0.04 0.00 -1.09 0.00 0.00 42.92 39.20 1x45 s ASP 8 CO 0.00 -0.80 -0.24 -0.69 0.70 0.00 0.00 175.17 174.14 1x45 s VAL 9 N 1.38 2.25 -0.20 2.11 1.01 0.21 -4.93 120.40 122.22 1x45 s VAL 9 Ca 0.69 -1.92 -0.03 0.00 0.00 0.00 0.00 61.98 60.72 1x45 s VAL 9 Cb -0.41 -2.04 0.06 0.00 0.00 0.00 0.00 36.38 33.99 1x45 s VAL 9 CO 0.31 -0.07 0.03 -0.36 0.00 0.00 0.00 175.10 175.01 1x45 s PHE 10 N -1.51 1.14 -0.41 5.22 0.40 -1.26 -0.35 117.98 121.21 1x45 s PHE 10 Ca 0.18 -0.95 -0.20 0.00 -0.60 0.00 0.00 56.93 55.36 1x45 s PHE 10 Cb -0.08 -1.08 0.02 0.00 0.51 0.00 0.00 43.02 42.38 1x45 s PHE 10 CO 0.08 -0.63 0.61 0.42 0.70 0.00 0.00 175.22 176.40 1x45 s ILE 11 N 1.82 4.88 -0.42 0.64 -1.09 -0.43 -4.93 121.20 121.67 1x45 s ILE 11 Ca -0.01 0.18 -0.18 0.00 -2.23 0.00 0.00 60.65 58.41 1x45 s ILE 11 Cb -0.17 -4.14 0.02 0.00 -1.58 0.00 0.00 42.46 36.59 1x45 s ILE 11 CO -0.08 -0.49 0.48 -1.61 -1.23 0.00 0.00 174.94 172.01 1x45 s GLU 12 N 2.69 3.13 0.21 2.79 2.02 -1.26 -2.51 118.70 125.77 1x45 s GLU 12 Ca 0.21 -0.69 0.02 0.00 0.02 0.00 0.00 54.97 54.54 1x45 s GLU 12 Cb -0.15 -3.97 -0.01 0.00 0.10 0.00 0.00 34.13 30.11 1x45 s GLU 12 CO 0.17 -0.88 0.09 0.36 0.02 0.00 0.00 175.26 175.01 1x45 n LYS 13 N 5.72 0.68 -4.01 1.61 2.85 0.54 -4.94 118.16 120.62 1x45 n LYS 13 Ca -0.06 -1.84 -0.35 0.00 -1.05 0.00 0.00 58.31 55.01 1x45 n LYS 13 Cb 0.47 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 -2.82 3.84 0.63 -1.58 -0.21 -1.26 -4.43 119.66 113.83 1x45 s GLN 14 Ca 0.12 -0.31 -0.17 0.00 0.02 0.00 0.00 55.36 55.01 1x45 s GLN 14 Cb 0.01 -3.19 -0.06 0.00 1.00 0.00 0.00 33.01 30.77 1x45 s GLN 14 CO 0.09 0.38 0.66 1.63 -2.12 0.00 0.00 175.29 175.93 1x45 n LYS 15 N 3.21 0.54 0.00 2.91 5.02 -1.26 -2.24 118.16 126.35 1x45 n LYS 15 Ca -0.17 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1x45 n LYS 15 Cb 0.53 -1.88 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 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 1.59 3.06 3.95 0.72 0.00 0.18 -4.98 105.19 109.71 1x45 n GLY 16 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.31 3.47 0.62 1.61 0.41 -0.95 -4.97 118.70 118.58 1x45 s GLU 17 Ca 0.00 -0.54 -0.03 0.00 -0.41 0.00 0.00 54.97 53.99 1x45 s GLU 17 Cb 0.00 -2.78 0.04 0.00 -1.78 0.00 0.00 34.13 29.61 1x45 s GLU 17 CO 0.00 0.29 0.90 0.96 -0.49 0.00 0.00 175.26 176.92 1x45 s ILE 18 N -2.14 2.66 -1.99 -1.63 -4.36 -1.26 -4.21 121.20 108.28 1x45 s ILE 18 Ca 0.37 -0.40 0.17 0.00 -0.26 0.00 0.00 60.65 60.53 1x45 s ILE 18 Cb -0.09 -3.08 0.47 0.00 1.25 0.00 0.00 42.46 41.01 1x45 s ILE 18 CO 0.32 -0.07 1.41 -0.11 0.24 0.00 0.00 174.94 176.73 1x45 n LEU 19 N -2.63 0.00 -4.20 0.37 7.94 -1.26 -4.56 117.00 112.66 1x45 n LEU 19 Ca 0.07 0.01 -0.29 0.00 -1.11 0.00 0.00 56.01 54.69 1x45 n LEU 19 Cb 0.60 -0.01 -0.09 0.00 0.53 0.00 0.00 43.42 44.45 1x45 n LEU 19 CO 0.49 -0.00 -0.45 0.61 -1.11 0.00 0.00 177.39 176.93 1x45 n GLY 20 N 0.05 -0.12 3.31 -3.96 0.00 -1.26 -3.28 105.19 99.93 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 -4.29 0.00 -0.06 1.61 0.11 -1.26 -0.96 120.40 115.55 1x45 s VAL 21 Ca 0.01 -0.04 -0.02 0.00 -2.93 0.00 0.00 61.98 58.99 1x45 s VAL 21 Cb -0.00 -0.60 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 1x45 s VAL 21 CO 0.94 -0.02 0.05 -0.69 -3.33 0.00 0.00 175.10 172.04 1x45 s VAL 22 N 0.06 4.64 0.15 2.04 1.01 0.62 -4.99 120.40 123.92 1x45 s VAL 22 Ca -0.01 -0.25 0.07 0.00 0.00 0.00 0.00 61.98 61.79 1x45 s VAL 22 Cb -0.03 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1x45 s VAL 22 CO 0.01 0.51 -0.16 0.27 0.00 0.00 0.00 175.10 175.73 1x45 s ILE 23 N -1.02 1.63 0.32 2.22 -4.36 -1.26 0.05 121.20 118.78 1x45 s ILE 23 Ca 0.17 -1.87 0.05 0.00 -0.26 0.00 0.00 60.65 58.74 1x45 s ILE 23 Cb -0.12 -1.75 -0.02 0.00 1.25 0.00 0.00 42.46 41.83 1x45 s ILE 23 CO 0.07 -0.38 0.33 1.33 0.24 0.00 0.00 174.94 176.53 1x45 n VAL 24 N 0.32 0.00 -2.05 8.37 0.24 0.36 -4.77 118.33 120.79 1x45 n VAL 24 Ca -0.14 -2.13 -0.42 0.00 -2.04 0.00 0.00 64.34 59.61 1x45 n VAL 24 Cb 0.57 1.13 -0.03 0.00 -1.47 0.00 0.00 33.84 34.04 1x45 n VAL 24 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1x45 s GLU 25 N -3.13 4.26 -0.15 7.34 2.02 -1.26 -1.69 118.70 126.09 1x45 s GLU 25 Ca 0.35 2.21 0.07 0.00 0.02 0.00 0.00 54.97 57.62 1x45 s GLU 25 Cb 0.01 -3.30 0.44 0.00 0.10 0.00 0.00 34.13 31.37 1x45 s GLU 25 CO 0.25 -0.56 1.23 0.45 0.02 0.00 0.00 175.26 176.64 1x45 n SER 26 N 4.37 3.57 -3.65 -0.19 2.88 -1.26 -4.70 113.62 114.64 1x45 n SER 26 Ca 0.13 -2.56 -0.41 0.00 -1.33 0.00 0.00 58.87 54.70 1x45 n SER 26 Cb 0.41 -0.61 -0.01 0.00 -0.75 0.00 0.00 64.21 63.25 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 0.24 4.51 0.56 0.46 0.00 -1.26 -4.39 105.19 105.31 1x45 n GLY 27 Ca 0.18 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 4.85 0.00 0.00 1.61 7.02 -1.26 -5.01 117.44 124.64 1x45 n TRP 28 Ca 0.56 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 57.04 1x45 n TRP 28 Cb 0.34 0.02 0.00 0.00 -2.42 0.00 0.00 31.31 29.25 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 3.59 0.00 3.38 6.99 0.00 -1.26 -5.09 105.19 112.80 1x45 n GLY 29 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.90 -2.06 -0.07 1.61 7.64 -1.26 -4.88 113.62 113.70 1x45 n SER 30 Ca 0.00 -0.15 -0.20 0.00 1.01 0.00 0.00 58.87 59.53 1x45 n SER 30 Cb 0.08 -1.12 -0.12 0.00 -1.01 0.00 0.00 64.21 62.03 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 -2.42 1.14 -3.25 0.44 5.03 -1.98 -3.43 117.51 113.03 1x45 h ILE 31 Ca -0.58 -2.26 -0.76 0.00 -0.12 0.00 0.00 64.86 61.14 1x45 h ILE 31 Cb 1.35 2.60 -0.26 0.00 -3.03 0.00 0.00 36.82 37.48 1x45 h ILE 31 CO 0.44 0.46 -0.20 -0.76 -0.68 0.00 0.00 178.15 177.41 1x45 s LEU 32 N -7.88 6.18 -0.98 1.44 2.01 -1.26 -5.01 118.68 113.17 1x45 s LEU 32 Ca -0.25 -1.98 -0.24 0.00 0.01 0.00 0.00 54.13 51.67 1x45 s LEU 32 Cb 0.03 -2.17 -0.06 0.00 0.01 0.00 0.00 46.19 44.01 1x45 s LEU 32 CO 0.65 -0.77 1.94 -2.16 1.01 0.00 0.00 176.35 177.02 1x45 s PRO 33 N 1.29 2.54 0.00 1.29 0.04 -1.26 -4.70 135.00 134.20 1x45 s PRO 33 Ca 0.06 -0.54 0.00 0.00 0.04 0.00 0.00 61.00 60.56 1x45 s PRO 33 Cb -0.26 -5.11 0.00 0.00 0.04 0.00 0.00 34.50 29.17 1x45 s PRO 33 CO 0.00 -3.54 0.00 0.25 0.04 0.00 0.00 177.00 173.75 1x45 n THR 34 N 7.85 0.00 -3.64 1.26 -2.24 -1.26 -4.03 114.28 112.22 1x45 n THR 34 Ca 0.41 0.17 -0.05 0.00 -2.27 0.00 0.00 64.05 62.32 1x45 n THR 34 Cb 0.47 -1.11 -0.07 0.00 -2.10 0.00 0.00 70.33 67.52 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 -0.44 0.00 0.11 2.28 -7.23 -1.26 -4.28 120.40 109.58 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 -0.15 0.27 -0.31 0.00 0.00 175.10 174.91 1x45 s ILE 36 N -0.02 1.40 -0.07 -0.62 -4.36 -0.68 -0.09 121.20 116.76 1x45 s ILE 36 Ca 0.06 -1.63 -0.30 0.00 -0.26 0.00 0.00 60.65 58.52 1x45 s ILE 36 Cb -0.05 -1.48 -0.05 0.00 1.25 0.00 0.00 42.46 42.14 1x45 s ILE 36 CO -0.12 -0.32 1.58 -0.63 0.24 0.00 0.00 174.94 175.69 1x45 s ILE 37 N -1.82 3.70 -0.12 8.37 1.09 -0.71 -0.49 121.20 131.21 1x45 s ILE 37 Ca 0.07 0.86 0.17 0.00 -1.10 0.00 0.00 60.65 60.65 1x45 s ILE 37 Cb -0.07 -3.56 -0.22 0.00 -1.06 0.00 0.00 42.46 37.56 1x45 s ILE 37 CO 0.03 -0.07 0.50 0.00 -0.10 0.00 0.00 174.94 175.30 1x45 n ALA 38 N 6.93 1.80 -3.52 9.38 0.00 0.11 -2.27 120.51 132.93 1x45 n ALA 38 Ca 0.16 -0.85 -0.12 0.00 0.00 0.00 0.00 53.44 52.63 1x45 n ALA 38 Cb 0.43 -0.65 -0.04 0.00 0.00 0.00 0.00 19.45 19.19 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 -5.60 -0.49 -0.00 0.00 2.47 -1.21 -4.98 114.94 105.13 1x45 s ASN 39 Ca -0.06 0.33 0.08 0.00 0.42 0.00 0.00 52.86 53.63 1x45 s ASN 39 Cb 0.08 0.44 -0.02 0.00 -1.45 0.00 0.00 41.25 40.30 1x45 s ASN 39 CO 0.83 -0.59 -0.25 -0.04 -3.72 0.00 0.00 177.10 173.33 1x45 s MET 40 N -2.07 2.05 0.07 0.43 -1.94 -1.26 -0.27 119.30 116.31 1x45 s MET 40 Ca -0.02 -0.96 -0.31 0.00 -1.71 0.00 0.00 55.69 52.69 1x45 s MET 40 Cb -0.01 -2.05 -0.07 0.00 2.01 0.00 0.00 34.83 34.71 1x45 s MET 40 CO -0.01 0.55 1.38 1.41 -0.01 0.00 0.00 175.02 178.35 1x45 s MET 41 N -0.82 4.31 -0.82 2.03 1.75 -0.14 -4.88 119.30 120.74 1x45 s MET 41 Ca 0.11 2.02 -0.24 0.00 -1.25 0.00 0.00 55.69 56.32 1x45 s MET 41 Cb -0.10 -3.37 -0.18 0.00 2.84 0.00 0.00 34.83 34.01 1x45 s MET 41 CO 0.00 -0.47 1.90 0.72 -0.65 0.00 0.00 175.02 176.51 1x45 n HIS 42 N 4.46 1.71 0.00 4.11 8.25 -1.26 -1.60 115.22 130.89 1x45 n HIS 42 Ca 0.12 -1.25 0.00 0.00 -0.26 0.00 0.00 57.72 56.33 1x45 n HIS 42 Cb 0.43 -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 5.24 1.25 2.80 -1.41 0.00 -1.26 -5.15 105.19 106.67 1x45 n GLY 43 Ca 0.46 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.33 1x45 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x45 n GLY 44 N 0.00 1.05 0.24 -0.02 0.00 -0.63 -4.95 105.19 100.88 1x45 n GLY 44 Ca 0.00 -2.06 -0.13 0.00 0.00 0.00 0.00 46.02 43.82 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 0.84 -0.47 1.61 0.13 -1.80 -2.16 132.00 130.14 1x45 h PRO 45 Ca -0.23 -0.44 -0.07 0.00 -0.87 0.00 0.00 66.00 64.40 1x45 h PRO 45 Cb 0.89 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.01 1x45 h PRO 45 CO 0.26 1.07 0.04 0.00 -0.23 0.00 0.00 178.00 179.14 1x45 h ALA 46 N 0.75 0.63 -0.28 -0.56 0.00 -1.77 0.73 119.26 118.74 1x45 h ALA 46 Ca 0.06 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1x45 h ALA 46 Cb 0.91 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1x45 h ALA 46 CO 0.08 0.39 -0.20 1.49 0.00 0.00 0.00 179.25 181.02 1x45 h GLU 47 N 0.66 0.52 0.01 0.00 4.57 -1.78 -2.76 114.58 115.79 1x45 h GLU 47 Ca 0.14 -0.18 -0.24 0.00 -1.18 0.00 0.00 59.36 57.90 1x45 h GLU 47 Cb 0.45 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.97 1x45 h GLU 47 CO 0.02 0.69 -1.26 0.87 -1.18 0.00 0.00 179.01 178.15 1x45 h LYS 48 N 0.47 0.02 -0.77 1.92 1.57 -1.19 -3.31 116.57 115.28 1x45 h LYS 48 Ca 0.08 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1x45 h LYS 48 Cb 0.61 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.90 1x45 h LYS 48 CO 0.04 0.86 0.43 0.66 -0.57 0.00 0.00 179.45 180.87 1x45 h SER 49 N 0.01 0.95 -0.41 0.86 4.64 0.66 -3.46 113.55 116.79 1x45 h SER 49 Ca -0.11 -0.07 -0.17 0.00 -0.47 0.00 0.00 61.79 60.97 1x45 h SER 49 Cb 1.86 -0.24 -0.07 0.00 -0.31 0.00 0.00 62.40 63.65 1x45 h SER 49 CO 0.12 0.76 -0.15 0.61 -0.87 0.00 0.00 176.83 177.29 1x45 n GLY 50 N -1.21 0.79 0.11 -0.77 0.00 -1.06 -4.80 105.19 98.25 1x45 n GLY 50 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.08 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 -5.37 1.61 1.79 -1.89 -3.47 116.57 109.25 1x45 h LYS 51 Ca -0.17 0.00 -0.66 0.00 -2.18 0.00 0.00 60.65 57.64 1x45 h LYS 51 Cb 1.12 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.66 1x45 h LYS 51 CO 0.25 0.73 -0.46 -0.48 -1.08 0.00 0.00 179.45 178.41 1x45 s LEU 52 N -6.70 2.38 -0.08 2.94 -0.00 -1.26 -4.71 118.68 111.24 1x45 s LEU 52 Ca 0.02 -1.56 -0.18 0.00 -0.00 0.00 0.00 54.13 52.41 1x45 s LEU 52 Cb 0.09 -0.84 0.04 0.00 -0.00 0.00 0.00 46.19 45.48 1x45 s LEU 52 CO 0.78 -0.93 0.43 0.20 -0.00 0.00 0.00 176.35 176.83 1x45 s ASN 53 N -3.98 -0.38 -0.54 1.48 0.02 -1.26 -5.00 114.94 105.28 1x45 s ASN 53 Ca 0.12 0.50 -0.35 0.00 -1.02 0.00 0.00 52.86 52.11 1x45 s ASN 53 Cb 0.00 0.57 -0.15 0.00 0.02 0.00 0.00 41.25 41.70 1x45 s ASN 53 CO 0.07 -0.37 2.31 -0.38 0.02 0.00 0.00 177.10 178.75 1x45 n ILE 54 N 1.78 0.07 0.00 0.60 2.08 -1.26 -0.25 119.36 122.38 1x45 n ILE 54 Ca -0.18 -0.21 0.00 0.00 0.56 0.00 0.00 62.75 62.92 1x45 n ILE 54 Cb 0.56 -1.29 0.00 0.00 -0.75 0.00 0.00 39.64 38.17 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 6.69 1.02 3.76 7.39 0.00 -0.96 -5.01 105.19 118.08 1x45 n GLY 55 Ca 0.49 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.95 5.86 0.09 1.61 1.11 0.66 -3.54 116.67 121.51 1x45 s ASP 56 Ca 0.00 2.64 0.05 0.00 0.18 0.00 0.00 52.55 55.43 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 -1.16 -0.03 0.00 1.18 0.00 0.00 175.17 175.16 1x45 s GLN 57 N -2.60 2.44 -0.31 8.23 -2.07 -1.01 -1.75 119.66 122.59 1x45 s GLN 57 Ca 0.64 -0.88 -0.12 0.00 -1.82 0.00 0.00 55.36 53.18 1x45 s GLN 57 Cb -0.37 -2.48 -0.03 0.00 -1.09 0.00 0.00 33.01 29.04 1x45 s GLN 57 CO 0.46 0.54 0.24 0.42 -1.32 0.00 0.00 175.29 175.63 1x45 s ILE 58 N -1.26 5.28 0.13 3.63 1.01 0.88 0.21 121.20 131.07 1x45 s ILE 58 Ca 0.24 0.03 -0.13 0.00 0.00 0.00 0.00 60.65 60.79 1x45 s ILE 58 Cb -0.11 -3.65 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 1x45 s ILE 58 CO 0.16 0.10 1.48 0.24 0.00 0.00 0.00 174.94 176.92 1x45 h MET 59 N 8.42 0.85 -3.18 2.79 2.86 -0.10 -3.38 114.93 123.18 1x45 h MET 59 Ca -0.33 -0.41 0.01 0.00 -2.06 0.00 0.00 59.70 56.91 1x45 h MET 59 Cb 1.17 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.78 1x45 h MET 59 CO 0.61 1.05 0.15 -1.54 1.06 0.00 0.00 176.91 178.24 1x45 s SER 60 N -6.65 -0.12 -0.23 1.22 1.04 -1.24 -3.33 113.70 104.38 1x45 s SER 60 Ca -0.12 -0.81 -0.01 0.00 0.48 0.00 0.00 55.95 55.49 1x45 s SER 60 Cb 0.10 0.72 0.07 0.00 0.10 0.00 0.00 66.02 67.01 1x45 s SER 60 CO 0.85 -1.37 0.01 -0.63 0.98 0.00 0.00 173.24 173.09 1x45 s ILE 61 N -3.60 0.98 -1.62 -1.02 1.01 0.27 -2.15 121.20 115.07 1x45 s ILE 61 Ca 0.15 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.83 1x45 s ILE 61 Cb -0.05 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 40.98 1x45 s ILE 61 CO 0.09 -0.25 0.00 0.59 0.00 0.00 0.00 174.94 175.37 1x45 n ASN 62 N 4.86 -4.98 0.00 3.58 3.02 0.32 -0.84 115.26 121.23 1x45 n ASN 62 Ca -0.09 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 1x45 n ASN 62 Cb 0.45 -4.26 0.00 0.00 -0.61 0.00 0.00 39.78 35.36 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 -0.74 0.97 3.34 7.41 0.00 -1.26 -5.03 105.19 109.88 1x45 n GLY 63 Ca -0.20 -0.02 -0.38 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 4.08 0.06 2.61 2.01 -0.02 -5.07 115.64 117.32 1x45 s THR 64 Ca 0.00 -0.84 -0.31 0.00 0.31 0.00 0.00 61.69 60.85 1x45 s THR 64 Cb 0.00 -3.20 -0.07 0.00 0.01 0.00 0.00 72.50 69.24 1x45 s THR 64 CO 0.00 -0.07 1.42 -0.94 -0.69 0.00 0.00 174.62 174.34 1x45 s SER 65 N 1.49 6.81 0.01 3.53 1.04 -1.26 -0.56 113.70 124.76 1x45 s SER 65 Ca 0.01 2.25 0.22 0.00 0.48 0.00 0.00 55.95 58.91 1x45 s SER 65 Cb -0.18 -2.57 -0.25 0.00 0.10 0.00 0.00 66.02 63.12 1x45 s SER 65 CO 0.04 -0.70 0.66 0.18 0.98 0.00 0.00 173.24 174.39 1x45 n LEU 66 N 4.73 0.29 -4.71 2.42 4.77 -1.21 -4.88 117.00 118.40 1x45 n LEU 66 Ca 0.13 -0.02 -0.61 0.00 -0.03 0.00 0.00 56.01 55.47 1x45 n LEU 66 Cb 0.43 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.42 1x45 n LEU 66 CO 0.59 0.01 1.21 0.52 -1.33 0.00 0.00 177.39 178.39 1x45 n VAL 67 N -2.20 0.16 0.00 4.08 0.31 -1.26 0.47 118.33 119.89 1x45 n VAL 67 Ca -0.02 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1x45 n VAL 67 Cb 0.53 -0.88 0.00 0.00 -0.91 0.00 0.00 33.84 32.58 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 3.94 2.88 3.77 2.92 0.00 -1.26 -5.03 105.19 112.42 1x45 n GLY 68 Ca 0.28 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 4.30 0.64 0.99 1.43 0.18 -4.99 118.68 121.23 1x45 s LEU 69 Ca 0.00 2.75 -0.16 0.00 -1.03 0.00 0.00 54.13 55.69 1x45 s LEU 69 Cb 0.00 -3.77 -0.01 0.00 0.03 0.00 0.00 46.19 42.44 1x45 s LEU 69 CO 0.00 -0.76 1.11 -2.16 0.23 0.00 0.00 176.35 174.78 1x45 s PRO 70 N -2.06 2.90 0.34 1.29 0.04 -1.26 -4.75 135.00 131.49 1x45 s PRO 70 Ca 0.53 1.43 0.08 0.00 0.04 0.00 0.00 61.00 63.08 1x45 s PRO 70 Cb -0.40 -1.96 0.77 0.00 0.04 0.00 0.00 34.50 32.95 1x45 s PRO 70 CO 0.53 -1.18 1.86 1.25 0.04 0.00 0.00 177.00 179.50 1x45 h LEU 71 N 0.23 0.71 -0.49 -3.56 5.85 -1.94 0.73 115.31 116.84 1x45 h LEU 71 Ca -0.47 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.25 1x45 h LEU 71 Cb 1.25 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1x45 h LEU 71 CO 0.55 0.35 0.15 0.28 -0.34 0.00 0.00 178.44 179.43 1x45 h SER 72 N 0.74 0.71 0.34 1.25 0.02 -1.98 -2.48 113.55 112.15 1x45 h SER 72 Ca 0.47 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 61.20 1x45 h SER 72 Cb 0.71 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1x45 h SER 72 CO -0.23 0.73 -0.16 0.74 -1.14 0.00 0.00 176.83 176.76 1x45 h THR 73 N 0.65 0.54 -1.02 -2.27 2.02 -1.54 -3.08 112.91 108.22 1x45 h THR 73 Ca 0.16 -0.68 0.31 0.00 0.77 0.00 0.00 66.41 66.97 1x45 h THR 73 Cb 0.27 0.83 -0.14 0.00 -1.74 0.00 0.00 68.15 67.37 1x45 h THR 73 CO -0.01 0.11 0.60 0.00 0.37 0.00 0.00 175.52 176.59 1x45 h GLN 75 N 0.36 -0.10 -0.67 0.00 4.20 -1.41 -2.80 115.11 114.68 1x45 h GLN 75 Ca 0.72 0.01 0.14 0.00 0.06 0.00 0.00 58.65 59.57 1x45 h GLN 75 Cb 1.65 0.02 -0.10 0.00 0.30 0.00 0.00 27.48 29.35 1x45 h GLN 75 CO -0.56 -0.06 0.13 1.03 -0.67 0.00 0.00 178.83 178.70 1x45 h SER 76 N -0.11 -0.05 -0.23 1.46 0.87 -0.63 0.41 113.55 115.27 1x45 h SER 76 Ca -0.01 0.14 0.07 0.00 -1.23 0.00 0.00 61.79 60.75 1x45 h SER 76 Cb 0.09 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 1x45 h SER 76 CO 0.02 -0.04 0.20 0.40 -0.53 0.00 0.00 176.83 176.88 1x45 h ILE 77 N 0.24 0.67 0.00 2.23 2.04 -1.22 0.13 117.51 121.60 1x45 h ILE 77 Ca 0.36 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.20 1x45 h ILE 77 Cb 0.59 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1x45 h ILE 77 CO -0.48 0.00 -0.56 0.40 0.00 0.00 0.00 178.15 177.51 1x45 h ILE 78 N 0.00 0.15 0.00 -0.67 2.04 -0.06 -3.28 117.51 115.69 1x45 h ILE 78 Ca 0.11 -1.24 -0.10 0.00 1.00 0.00 0.00 64.86 64.63 1x45 h ILE 78 Cb 0.50 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 1x45 h ILE 78 CO -0.00 0.09 -0.48 0.11 0.00 0.00 0.00 178.15 177.86 1x45 h LYS 79 N 0.00 0.00 -0.96 2.37 1.57 0.39 -3.05 116.57 116.89 1x45 h LYS 79 Ca -0.02 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1x45 h LYS 79 Cb 1.10 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.38 1x45 h LYS 79 CO 0.01 0.48 0.06 0.41 -0.57 0.00 0.00 179.45 179.85 1x45 n GLY 80 N 0.37 2.12 0.36 3.86 0.00 -1.07 -3.32 105.19 107.51 1x45 n GLY 80 Ca -0.00 -0.19 0.04 0.00 0.00 0.00 0.00 46.02 45.88 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 1.77 0.21 0.99 4.77 -1.15 -4.54 117.00 119.21 1x45 n LEU 81 Ca 0.08 -1.04 0.05 0.00 -0.03 0.00 0.00 56.01 55.07 1x45 n LEU 81 Cb 0.57 -0.01 0.47 0.00 -2.33 0.00 0.00 43.42 42.12 1x45 n LEU 81 CO 0.09 0.36 0.82 0.50 -1.33 0.00 0.00 177.39 177.82 1x45 h LYS 82 N 1.72 0.00 -0.23 3.23 3.64 -1.72 -1.74 116.57 121.46 1x45 h LYS 82 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1x45 h LYS 82 Cb 0.38 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1x45 h LYS 82 CO 0.00 0.27 0.00 0.27 -2.27 0.00 0.00 179.45 177.72 1x45 n ASN 83 N -4.05 2.34 -4.07 4.20 0.23 -1.26 0.52 115.26 113.17 1x45 n ASN 83 Ca -0.02 -1.82 -0.34 0.00 -0.53 0.00 0.00 54.58 51.87 1x45 n ASN 83 Cb 0.33 -0.15 -0.13 0.00 -2.08 0.00 0.00 39.78 37.76 1x45 n ASN 83 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1x45 s GLN 84 N -1.70 1.83 0.15 -3.83 -0.21 -0.66 -4.87 119.66 110.37 1x45 s GLN 84 Ca 0.34 -1.92 -0.22 0.00 0.02 0.00 0.00 55.36 53.58 1x45 s GLN 84 Cb 0.19 -3.44 0.02 0.00 1.00 0.00 0.00 33.01 30.79 1x45 s GLN 84 CO 0.28 -1.03 1.64 0.66 -2.12 0.00 0.00 175.29 174.72 1x45 h SER 85 N 7.75 -0.66 -3.61 5.90 4.64 -1.80 -3.39 113.55 122.39 1x45 h SER 85 Ca -0.09 0.12 -0.65 0.00 -0.47 0.00 0.00 61.79 60.71 1x45 h SER 85 Cb 1.02 0.32 -0.23 0.00 -0.31 0.00 0.00 62.40 63.20 1x45 h SER 85 CO 0.63 -0.25 -0.63 -0.60 -0.87 0.00 0.00 176.83 175.11 1x45 s ARG 86 N -6.11 3.64 -0.04 4.77 3.52 -1.26 -0.34 118.95 123.14 1x45 s ARG 86 Ca -0.15 -0.49 0.04 0.00 -0.13 0.00 0.00 55.73 55.00 1x45 s ARG 86 Cb 0.12 -3.29 -0.00 0.00 -1.56 0.00 0.00 34.95 30.22 1x45 s ARG 86 CO 0.68 -0.17 -0.14 0.08 -0.81 0.00 0.00 175.30 174.94 1x45 s VAL 87 N 1.55 1.17 -0.21 7.11 1.01 -1.04 -4.99 120.40 125.00 1x45 s VAL 87 Ca 0.06 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 1x45 s VAL 87 Cb -0.15 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 1x45 s VAL 87 CO 0.03 0.35 0.17 -0.75 0.00 0.00 0.00 175.10 174.90 1x45 s LYS 88 N 0.08 4.17 0.00 2.72 2.20 -1.26 -1.32 119.74 126.33 1x45 s LYS 88 Ca -0.03 -0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.41 1x45 s LYS 88 Cb -0.10 -3.46 -0.00 0.00 -1.51 0.00 0.00 37.83 32.76 1x45 s LYS 88 CO 0.01 0.21 -0.00 -0.51 -0.36 0.00 0.00 175.35 174.70 1x45 s LEU 89 N 0.61 2.03 -0.29 5.43 1.43 0.53 0.12 118.68 128.54 1x45 s LEU 89 Ca 0.09 -0.06 -0.18 0.00 -1.03 0.00 0.00 54.13 52.96 1x45 s LEU 89 Cb -0.12 0.01 -0.02 0.00 0.03 0.00 0.00 46.19 46.09 1x45 s LEU 89 CO 0.01 -0.03 0.51 0.21 0.23 0.00 0.00 176.35 177.28 1x45 s ASN 90 N -0.17 6.39 0.04 2.29 3.04 -0.91 0.64 114.94 126.25 1x45 s ASN 90 Ca -0.02 0.34 0.02 0.00 0.04 0.00 0.00 52.86 53.24 1x45 s ASN 90 Cb -0.01 -2.27 -0.04 0.00 -1.54 0.00 0.00 41.25 37.38 1x45 s ASN 90 CO -0.00 -0.35 0.03 -0.63 -3.04 0.00 0.00 177.10 173.12 1x45 s ILE 91 N 2.34 4.32 -0.20 -5.21 -1.09 -0.63 0.66 121.20 121.38 1x45 s ILE 91 Ca 0.20 -0.71 -0.04 0.00 -2.23 0.00 0.00 60.65 57.88 1x45 s ILE 91 Cb -0.15 -3.01 0.09 0.00 -1.58 0.00 0.00 42.46 37.81 1x45 s ILE 91 CO 0.11 0.24 0.23 -0.69 -1.23 0.00 0.00 174.94 173.60 1x45 s VAL 92 N -1.24 -0.34 -0.36 2.92 1.01 0.13 -1.20 120.40 121.33 1x45 s VAL 92 Ca 0.24 -0.10 -0.33 0.00 0.00 0.00 0.00 61.98 61.79 1x45 s VAL 92 Cb -0.12 -0.68 -0.14 0.00 0.00 0.00 0.00 36.38 35.45 1x45 s VAL 92 CO 0.16 -0.19 1.33 -0.24 0.00 0.00 0.00 175.10 176.15 1x45 n SER 93 N 5.32 0.71 -3.68 3.32 2.88 -1.26 -2.42 113.62 118.49 1x45 n SER 93 Ca -0.05 0.67 0.00 0.00 -1.33 0.00 0.00 58.87 58.16 1x45 n SER 93 Cb 0.50 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 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 4.06 -3.04 0.00 0.46 0.00 -1.23 -4.75 105.19 100.69 1x45 n GLY 94 Ca 0.30 -1.03 0.08 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.14 0.40 -1.45 1.61 -0.04 -1.26 -4.86 135.00 129.27 1x45 n PRO 95 Ca 0.00 0.05 -0.39 0.00 -0.04 0.00 0.00 63.50 63.12 1x45 n PRO 95 Cb 0.00 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 31.99 1x45 n PRO 95 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x45 n SER 96 N -1.09 -1.23 -4.87 3.54 3.41 -1.26 -4.95 113.62 107.16 1x45 n SER 96 Ca 0.10 0.76 -0.36 0.00 -0.26 0.00 0.00 58.87 59.12 1x45 n SER 96 Cb 0.08 -1.13 -0.06 0.00 -0.26 0.00 0.00 64.21 62.84 1x45 n SER 96 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x45 s SER 97 N -1.11 6.52 0.00 4.04 0.15 -1.26 -5.13 113.70 116.91 1x45 s SER 97 Ca 0.66 0.60 0.28 0.00 0.70 0.00 0.00 55.95 58.20 1x45 s SER 97 Cb -0.48 -2.11 1.08 0.00 -1.71 0.00 0.00 66.02 62.80 1x45 s SER 97 CO 0.56 0.32 1.76 0.61 1.20 0.00 0.00 173.24 177.69