#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 -0.08 0.42 1.61 0.15 -1.26 -5.00 113.70 109.54 1x45 s SER 2 Ca 0.00 0.24 -0.21 0.00 0.70 0.00 0.00 55.95 56.68 1x45 s SER 2 Cb 0.00 0.15 -0.15 0.00 -1.71 0.00 0.00 66.02 64.31 1x45 s SER 2 CO 0.00 -0.12 0.06 -1.54 1.20 0.00 0.00 173.24 172.84 1x45 n SER 3 N 3.89 -2.98 0.00 5.45 3.41 -1.26 -4.65 113.62 117.48 1x45 n SER 3 Ca -0.23 0.78 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 1x45 n SER 3 Cb 0.53 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 1x45 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x45 n GLY 4 N 2.36 -0.17 3.38 5.00 0.00 -1.26 -5.07 105.19 109.42 1x45 n GLY 4 Ca 0.11 0.24 -0.46 0.00 0.00 0.00 0.00 46.02 45.91 1x45 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x45 s SER 5 N 0.00 6.60 -0.46 1.61 0.15 -1.26 -4.96 113.70 115.37 1x45 s SER 5 Ca 0.00 -2.23 0.03 0.00 0.70 0.00 0.00 55.95 54.45 1x45 s SER 5 Cb 0.00 -2.29 0.13 0.00 -1.71 0.00 0.00 66.02 62.15 1x45 s SER 5 CO 0.00 -0.84 0.23 -0.44 1.20 0.00 0.00 173.24 173.39 1x45 s SER 6 N 2.95 4.07 0.00 5.45 0.01 -1.26 -4.52 113.70 120.40 1x45 s SER 6 Ca 0.21 -2.73 0.00 0.00 1.31 0.00 0.00 55.95 54.75 1x45 s SER 6 Cb -0.12 -1.36 0.00 0.00 0.21 0.00 0.00 66.02 64.75 1x45 s SER 6 CO -0.06 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 173.93 1x45 n GLY 7 N 3.46 -0.68 3.68 3.44 0.00 -0.06 -4.90 105.19 110.12 1x45 n GLY 7 Ca 0.06 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 1x45 n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x45 s ASP 8 N -4.00 6.55 0.14 1.61 1.01 -1.26 -1.35 116.67 119.37 1x45 s ASP 8 Ca 0.00 2.53 0.09 0.00 0.71 0.00 0.00 52.55 55.88 1x45 s ASP 8 Cb 0.00 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 1x45 s ASP 8 CO 0.00 -0.95 -0.17 -0.69 0.21 0.00 0.00 175.17 173.57 1x45 s VAL 9 N 3.30 2.86 -0.19 -1.27 1.01 0.19 -4.93 120.40 121.38 1x45 s VAL 9 Ca 0.78 -1.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 1x45 s VAL 9 Cb -0.40 -2.35 0.06 0.00 0.00 0.00 0.00 36.38 33.69 1x45 s VAL 9 CO 0.34 0.02 0.04 -0.36 0.00 0.00 0.00 175.10 175.15 1x45 s PHE 10 N -1.35 0.96 -0.51 5.22 0.40 -1.26 -0.87 117.98 120.56 1x45 s PHE 10 Ca 0.20 -0.82 -0.20 0.00 -0.60 0.00 0.00 56.93 55.51 1x45 s PHE 10 Cb -0.10 -1.00 0.05 0.00 0.51 0.00 0.00 43.02 42.48 1x45 s PHE 10 CO 0.11 -0.61 0.69 0.42 0.70 0.00 0.00 175.22 176.53 1x45 s ILE 11 N 1.88 4.78 -0.45 0.64 -1.09 -0.57 -4.95 121.20 121.44 1x45 s ILE 11 Ca -0.01 -0.32 -0.23 0.00 -2.23 0.00 0.00 60.65 57.86 1x45 s ILE 11 Cb -0.17 -4.34 0.02 0.00 -1.58 0.00 0.00 42.46 36.39 1x45 s ILE 11 CO -0.08 -0.86 0.81 -1.61 -1.23 0.00 0.00 174.94 171.96 1x45 s GLU 12 N 2.90 3.45 0.23 2.79 2.02 -1.26 -2.68 118.70 126.13 1x45 s GLU 12 Ca 0.18 -0.04 0.04 0.00 0.02 0.00 0.00 54.97 55.18 1x45 s GLU 12 Cb -0.18 -3.93 -0.02 0.00 0.10 0.00 0.00 34.13 30.11 1x45 s GLU 12 CO 0.13 -1.11 0.15 0.36 0.02 0.00 0.00 175.26 174.81 1x45 n LYS 13 N 6.76 0.42 -3.66 1.61 2.85 0.64 -4.94 118.16 121.84 1x45 n LYS 13 Ca 0.03 -2.13 -0.20 0.00 -1.05 0.00 0.00 58.31 54.96 1x45 n LYS 13 Cb 0.48 1.53 -0.01 0.00 -0.65 0.00 0.00 35.03 36.38 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 -2.90 3.18 0.20 -1.58 -0.21 -1.26 -4.32 119.66 112.77 1x45 s GLN 14 Ca 0.21 -0.96 -0.28 0.00 0.02 0.00 0.00 55.36 54.35 1x45 s GLN 14 Cb 0.01 -2.81 -0.08 0.00 1.00 0.00 0.00 33.01 31.13 1x45 s GLN 14 CO 0.15 0.19 0.88 0.15 -2.12 0.00 0.00 175.29 174.53 1x45 s LYS 15 N -4.09 4.73 0.00 2.91 1.02 -1.26 -3.79 119.74 119.26 1x45 s LYS 15 Ca 0.41 1.35 0.00 0.00 0.02 0.00 0.00 55.97 57.75 1x45 s LYS 15 Cb -0.09 -3.28 0.00 0.00 -0.52 0.00 0.00 37.83 33.94 1x45 s LYS 15 CO 0.30 0.51 0.00 0.41 -0.92 0.00 0.00 175.35 175.64 1x45 n GLY 16 N 1.62 2.35 3.95 -3.33 0.00 -0.44 -4.98 105.19 104.35 1x45 n GLY 16 Ca -0.03 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 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 3.33 0.65 1.61 -1.05 -1.25 -4.92 118.70 117.07 1x45 s GLU 17 Ca 0.00 -0.39 -0.02 0.00 -0.15 0.00 0.00 54.97 54.40 1x45 s GLU 17 Cb 0.00 -2.62 0.06 0.00 -0.44 0.00 0.00 34.13 31.13 1x45 s GLU 17 CO 0.00 -0.01 0.91 0.96 0.95 0.00 0.00 175.26 178.08 1x45 s ILE 18 N -2.41 2.42 -2.00 1.83 -4.36 -1.26 -4.17 121.20 111.25 1x45 s ILE 18 Ca 0.43 -0.49 0.16 0.00 -0.26 0.00 0.00 60.65 60.49 1x45 s ILE 18 Cb -0.10 -2.93 0.46 0.00 1.25 0.00 0.00 42.46 41.15 1x45 s ILE 18 CO 0.37 0.00 1.39 -0.11 0.24 0.00 0.00 174.94 176.83 1x45 n LEU 19 N -2.67 0.00 -4.15 0.37 7.94 -1.26 -4.56 117.00 112.66 1x45 n LEU 19 Ca 0.09 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.60 1x45 n LEU 19 Cb 0.60 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.52 1x45 n LEU 19 CO 0.47 0.00 -0.28 0.61 -1.11 0.00 0.00 177.39 177.08 1x45 n GLY 20 N 0.14 -0.52 3.34 -3.96 0.00 -1.26 -3.20 105.19 99.72 1x45 n GLY 20 Ca 0.12 0.26 -0.14 0.00 0.00 0.00 0.00 46.02 46.26 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 -3.89 0.02 -0.07 1.61 0.11 -1.26 -1.97 120.40 114.95 1x45 s VAL 21 Ca 0.29 -0.17 0.01 0.00 -2.93 0.00 0.00 61.98 59.18 1x45 s VAL 21 Cb -0.16 -0.69 -0.03 0.00 -1.53 0.00 0.00 36.38 33.97 1x45 s VAL 21 CO 0.95 -0.09 -0.10 -0.69 -3.33 0.00 0.00 175.10 171.84 1x45 s VAL 22 N -0.55 3.41 0.21 2.04 1.01 0.28 -4.98 120.40 121.82 1x45 s VAL 22 Ca -0.07 -0.58 0.10 0.00 0.00 0.00 0.00 61.98 61.43 1x45 s VAL 22 Cb -0.03 -2.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 1x45 s VAL 22 CO 0.03 0.58 -0.19 0.27 0.00 0.00 0.00 175.10 175.80 1x45 s ILE 23 N -0.58 2.08 0.32 2.22 -4.36 -1.26 0.09 121.20 119.70 1x45 s ILE 23 Ca 0.08 -2.15 0.02 0.00 -0.26 0.00 0.00 60.65 58.35 1x45 s ILE 23 Cb -0.12 -2.07 -0.02 0.00 1.25 0.00 0.00 42.46 41.51 1x45 s ILE 23 CO 0.02 -0.37 0.35 0.68 0.24 0.00 0.00 174.94 175.85 1x45 s VAL 24 N -2.33 0.00 0.15 8.37 -7.23 0.49 -4.74 120.40 115.11 1x45 s VAL 24 Ca 0.22 -1.83 -0.31 0.00 -1.81 0.00 0.00 61.98 58.25 1x45 s VAL 24 Cb -0.05 -2.55 -0.10 0.00 0.56 0.00 0.00 36.38 34.25 1x45 s VAL 24 CO 0.10 0.00 1.60 -1.61 -0.31 0.00 0.00 175.10 174.88 1x45 s GLU 25 N -3.37 4.20 -0.02 4.82 2.02 -1.26 -1.72 118.70 123.37 1x45 s GLU 25 Ca 0.36 2.38 0.02 0.00 0.02 0.00 0.00 54.97 57.75 1x45 s GLU 25 Cb 0.02 -3.26 0.10 0.00 0.10 0.00 0.00 34.13 31.09 1x45 s GLU 25 CO 0.23 -0.65 0.73 0.45 0.02 0.00 0.00 175.26 176.04 1x45 n SER 26 N 4.37 1.41 -2.45 -0.19 2.88 -1.26 -4.50 113.62 113.87 1x45 n SER 26 Ca 0.15 -2.10 -0.20 0.00 -1.33 0.00 0.00 58.87 55.39 1x45 n SER 26 Cb 0.39 -0.44 -0.12 0.00 -0.75 0.00 0.00 64.21 63.29 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 0.18 3.33 0.76 0.46 0.00 -1.26 -3.88 105.19 104.78 1x45 n GLY 27 Ca 0.03 -1.25 0.04 0.00 0.00 0.00 0.00 46.02 44.84 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 2.89 0.18 0.00 1.61 7.02 -1.26 -4.92 117.44 122.97 1x45 n TRP 28 Ca 0.53 -1.48 0.00 0.00 -1.02 0.00 0.00 57.50 55.53 1x45 n TRP 28 Cb 0.66 -0.25 0.00 0.00 -2.42 0.00 0.00 31.31 29.30 1x45 n TRP 28 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1x45 n GLY 29 N -0.98 2.17 3.51 6.99 0.00 -1.26 -4.90 105.19 110.71 1x45 n GLY 29 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1x45 n GLY 29 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x45 n SER 30 N 0.00 -0.33 0.47 1.61 2.88 -1.25 -4.92 113.62 112.08 1x45 n SER 30 Ca 0.00 0.86 -0.19 0.00 -1.33 0.00 0.00 58.87 58.21 1x45 n SER 30 Cb 0.00 -1.21 -0.09 0.00 -0.75 0.00 0.00 64.21 62.16 1x45 n SER 30 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1x45 h ILE 31 N 0.71 0.01 -3.14 2.46 1.08 -1.98 -3.39 117.51 113.27 1x45 h ILE 31 Ca -0.44 -0.11 -0.72 0.00 -0.39 0.00 0.00 64.86 63.20 1x45 h ILE 31 Cb 1.38 0.02 -0.21 0.00 -3.07 0.00 0.00 36.82 34.94 1x45 h ILE 31 CO 0.51 0.00 -0.10 -0.76 -0.69 0.00 0.00 178.15 177.11 1x45 s LEU 32 N -9.84 5.54 -1.08 1.44 2.01 -1.26 -5.00 118.68 110.49 1x45 s LEU 32 Ca -0.18 -1.36 -0.23 0.00 0.01 0.00 0.00 54.13 52.37 1x45 s LEU 32 Cb 0.02 -2.28 -0.07 0.00 0.01 0.00 0.00 46.19 43.86 1x45 s LEU 32 CO 0.54 -0.88 1.94 -2.16 1.01 0.00 0.00 176.35 176.80 1x45 s PRO 33 N 2.14 2.52 0.00 1.29 0.04 -1.26 -4.65 135.00 135.08 1x45 s PRO 33 Ca 0.08 -0.84 0.00 0.00 0.04 0.00 0.00 61.00 60.29 1x45 s PRO 33 Cb -0.24 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 29.12 1x45 s PRO 33 CO 0.07 -3.75 0.00 0.25 0.04 0.00 0.00 177.00 173.61 1x45 n THR 34 N 7.83 0.00 -3.64 1.26 -2.24 -1.26 -3.84 114.28 112.38 1x45 n THR 34 Ca 0.43 0.11 -0.04 0.00 -2.27 0.00 0.00 64.05 62.27 1x45 n THR 34 Cb 0.47 -0.97 -0.07 0.00 -2.10 0.00 0.00 70.33 67.65 1x45 n THR 34 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1x45 s VAL 35 N -0.36 0.00 0.07 2.28 -7.23 -1.26 -4.30 120.40 109.60 1x45 s VAL 35 Ca 0.00 0.00 0.05 0.00 -1.81 0.00 0.00 61.98 60.22 1x45 s VAL 35 Cb 0.00 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.91 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 -0.03 1.13 -0.02 -0.62 -4.36 -0.70 -0.43 121.20 116.17 1x45 s ILE 36 Ca 0.06 -1.33 -0.30 0.00 -0.26 0.00 0.00 60.65 58.83 1x45 s ILE 36 Cb -0.05 -1.10 -0.06 0.00 1.25 0.00 0.00 42.46 42.50 1x45 s ILE 36 CO -0.13 -0.23 1.69 -0.63 0.24 0.00 0.00 174.94 175.88 1x45 s ILE 37 N -1.31 3.43 -0.12 8.37 1.09 -0.68 -0.38 121.20 131.61 1x45 s ILE 37 Ca -0.01 0.59 0.17 0.00 -1.10 0.00 0.00 60.65 60.30 1x45 s ILE 37 Cb -0.10 -3.38 -0.20 0.00 -1.06 0.00 0.00 42.46 37.71 1x45 s ILE 37 CO 0.02 -0.04 0.56 0.00 -0.10 0.00 0.00 174.94 175.38 1x45 n ALA 38 N 6.92 1.85 -3.53 9.38 0.00 0.11 -2.28 120.51 132.95 1x45 n ALA 38 Ca 0.17 -0.78 -0.10 0.00 0.00 0.00 0.00 53.44 52.73 1x45 n ALA 38 Cb 0.42 -0.72 -0.04 0.00 0.00 0.00 0.00 19.45 19.12 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 -5.61 -0.39 -0.00 0.00 2.47 -1.19 -4.97 114.94 105.25 1x45 s ASN 39 Ca -0.06 0.22 0.08 0.00 0.42 0.00 0.00 52.86 53.52 1x45 s ASN 39 Cb 0.08 0.36 -0.02 0.00 -1.45 0.00 0.00 41.25 40.22 1x45 s ASN 39 CO 0.83 -0.51 -0.23 -0.04 -3.72 0.00 0.00 177.10 173.43 1x45 s MET 40 N -2.17 2.09 0.36 0.43 -1.94 -1.26 -0.56 119.30 116.25 1x45 s MET 40 Ca 0.01 -0.95 -0.27 0.00 -1.71 0.00 0.00 55.69 52.77 1x45 s MET 40 Cb -0.01 -2.10 -0.09 0.00 2.01 0.00 0.00 34.83 34.64 1x45 s MET 40 CO -0.03 0.56 1.24 1.41 -0.01 0.00 0.00 175.02 178.18 1x45 s MET 41 N -0.89 4.21 -1.25 2.03 1.75 -0.83 -4.90 119.30 119.42 1x45 s MET 41 Ca 0.11 2.03 -0.18 0.00 -1.25 0.00 0.00 55.69 56.40 1x45 s MET 41 Cb -0.10 -2.90 -0.00 0.00 2.84 0.00 0.00 34.83 34.67 1x45 s MET 41 CO 0.01 -0.24 1.95 -2.39 -0.65 0.00 0.00 175.02 173.70 1x45 n HIS 42 N 0.48 3.56 0.00 4.11 1.44 -1.26 -2.91 115.22 120.64 1x45 n HIS 42 Ca 0.02 -2.50 0.00 0.00 -2.01 0.00 0.00 57.72 53.23 1x45 n HIS 42 Cb 0.44 -2.47 0.00 0.00 0.12 0.00 0.00 29.99 28.08 1x45 n HIS 42 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1x45 n GLY 43 N 4.92 1.57 4.03 -1.39 0.00 -1.26 -5.15 105.19 107.91 1x45 n GLY 43 Ca 0.49 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.57 1.76 0.34 -0.02 0.00 -1.15 -4.98 107.32 101.70 1x45 s GLY 44 Ca 0.00 -2.06 0.13 0.00 0.00 0.00 0.00 44.72 42.79 1x45 s GLY 44 CO 0.00 -1.63 1.75 -0.56 0.00 0.00 0.00 173.10 172.65 1x45 h PRO 45 N 0.21 0.00 0.02 2.90 0.13 -1.80 -2.18 132.00 131.27 1x45 h PRO 45 Ca -0.31 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.59 1x45 h PRO 45 Cb 1.29 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.44 1x45 h PRO 45 CO 0.41 0.45 -0.90 0.00 -0.23 0.00 0.00 178.00 177.74 1x45 h ALA 46 N 1.55 0.08 -0.16 -0.56 0.00 -1.75 0.69 119.26 119.11 1x45 h ALA 46 Ca -0.00 -0.66 -0.11 0.00 0.00 0.00 0.00 54.91 54.14 1x45 h ALA 46 Cb 0.84 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1x45 h ALA 46 CO 0.06 0.55 -0.38 1.49 0.00 0.00 0.00 179.25 180.97 1x45 h GLU 47 N 0.17 0.34 0.00 0.00 4.57 -1.77 -2.92 114.58 114.98 1x45 h GLU 47 Ca -0.12 -0.16 -0.24 0.00 -1.18 0.00 0.00 59.36 57.66 1x45 h GLU 47 Cb 1.58 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 30.13 1x45 h GLU 47 CO 0.18 0.68 -1.31 0.87 -1.18 0.00 0.00 179.01 178.24 1x45 h LYS 48 N 0.29 0.00 -0.94 1.92 1.57 -1.44 -3.32 116.57 114.64 1x45 h LYS 48 Ca 0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1x45 h LYS 48 Cb 0.80 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.07 1x45 h LYS 48 CO 0.06 0.76 0.57 0.66 -0.57 0.00 0.00 179.45 180.93 1x45 h SER 49 N 0.00 1.13 -0.43 0.86 4.64 -0.72 -3.46 113.55 115.57 1x45 h SER 49 Ca -0.13 -0.07 -0.18 0.00 -0.47 0.00 0.00 61.79 60.93 1x45 h SER 49 Cb 1.87 -0.29 -0.07 0.00 -0.31 0.00 0.00 62.40 63.60 1x45 h SER 49 CO 0.11 0.87 -0.17 0.61 -0.87 0.00 0.00 176.83 177.38 1x45 n GLY 50 N -1.24 0.93 0.09 -0.77 0.00 -1.11 -4.84 105.19 98.24 1x45 n GLY 50 Ca 0.10 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 0.08 0.16 -5.81 1.61 1.79 -1.89 -3.47 116.57 109.04 1x45 h LYS 51 Ca -0.18 -0.27 -0.60 0.00 -2.18 0.00 0.00 60.65 57.41 1x45 h LYS 51 Cb 0.99 0.10 -0.06 0.00 -1.58 0.00 0.00 32.23 31.68 1x45 h LYS 51 CO 0.27 1.12 -0.31 -0.48 -1.08 0.00 0.00 179.45 178.97 1x45 s LEU 52 N -6.95 2.56 -0.05 2.94 -0.00 -1.26 -4.89 118.68 111.03 1x45 s LEU 52 Ca -0.02 -1.35 -0.22 0.00 -0.00 0.00 0.00 54.13 52.54 1x45 s LEU 52 Cb 0.08 -1.05 0.05 0.00 -0.00 0.00 0.00 46.19 45.27 1x45 s LEU 52 CO 0.86 -1.15 0.50 0.20 -0.00 0.00 0.00 176.35 176.76 1x45 s ASN 53 N -4.27 -0.44 -0.55 1.48 0.01 -1.26 -5.06 114.94 104.86 1x45 s ASN 53 Ca 0.28 0.49 -0.33 0.00 -0.71 0.00 0.00 52.86 52.59 1x45 s ASN 53 Cb -0.02 0.51 -0.13 0.00 0.41 0.00 0.00 41.25 42.02 1x45 s ASN 53 CO 0.18 -0.48 2.36 -0.38 -1.51 0.00 0.00 177.10 177.27 1x45 n ILE 54 N 1.32 0.07 0.00 0.60 2.08 -1.26 -0.24 119.36 121.93 1x45 n ILE 54 Ca -0.19 -0.30 0.00 0.00 0.56 0.00 0.00 62.75 62.81 1x45 n ILE 54 Cb 0.56 -1.55 0.00 0.00 -0.75 0.00 0.00 39.64 37.90 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 6.48 1.16 3.76 7.39 0.00 -0.97 -4.64 105.19 118.38 1x45 n GLY 55 Ca 0.47 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.05 6.00 0.07 1.61 1.11 0.67 -3.50 116.67 121.57 1x45 s ASP 56 Ca 0.00 2.69 0.04 0.00 0.18 0.00 0.00 52.55 55.46 1x45 s ASP 56 Cb 0.00 -2.64 -0.04 0.00 1.07 0.00 0.00 42.92 41.32 1x45 s ASP 56 CO 0.00 -1.07 -0.03 0.00 1.18 0.00 0.00 175.17 175.25 1x45 s GLN 57 N -2.48 2.52 -0.24 8.23 -2.07 -0.92 -1.68 119.66 123.02 1x45 s GLN 57 Ca 0.61 -0.82 -0.14 0.00 -1.82 0.00 0.00 55.36 53.20 1x45 s GLN 57 Cb -0.38 -2.52 -0.04 0.00 -1.09 0.00 0.00 33.01 28.98 1x45 s GLN 57 CO 0.48 0.56 0.31 0.42 -1.32 0.00 0.00 175.29 175.74 1x45 s ILE 58 N -1.22 5.24 0.06 3.63 1.01 0.43 0.40 121.20 130.75 1x45 s ILE 58 Ca 0.23 0.48 -0.16 0.00 0.00 0.00 0.00 60.65 61.21 1x45 s ILE 58 Cb -0.11 -3.64 -0.22 0.00 0.01 0.00 0.00 42.46 38.49 1x45 s ILE 58 CO 0.15 0.24 1.19 0.24 0.00 0.00 0.00 174.94 176.76 1x45 h MET 59 N 7.78 0.63 -3.32 2.79 2.86 -0.40 -3.39 114.93 121.89 1x45 h MET 59 Ca -0.35 -0.64 -0.05 0.00 -2.06 0.00 0.00 59.70 56.60 1x45 h MET 59 Cb 1.17 0.17 -0.04 0.00 0.06 0.00 0.00 31.60 32.96 1x45 h MET 59 CO 0.66 1.24 0.11 -1.54 1.06 0.00 0.00 176.91 178.44 1x45 s SER 60 N -7.08 0.11 -0.26 1.22 1.04 -1.24 -2.99 113.70 104.50 1x45 s SER 60 Ca -0.11 -1.06 -0.02 0.00 0.48 0.00 0.00 55.95 55.24 1x45 s SER 60 Cb 0.06 0.75 0.08 0.00 0.10 0.00 0.00 66.02 67.01 1x45 s SER 60 CO 0.89 -1.45 0.08 -0.63 0.98 0.00 0.00 173.24 173.11 1x45 s ILE 61 N -3.09 0.53 -1.46 -1.02 1.01 -0.15 -2.47 121.20 114.55 1x45 s ILE 61 Ca 0.18 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.93 1x45 s ILE 61 Cb -0.04 -1.25 0.00 0.00 0.01 0.00 0.00 42.46 41.18 1x45 s ILE 61 CO 0.12 -0.49 0.00 0.59 0.00 0.00 0.00 174.94 175.16 1x45 n ASN 62 N 5.02 -4.63 0.00 3.58 3.02 0.16 -0.73 115.26 121.68 1x45 n ASN 62 Ca -0.06 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 1x45 n ASN 62 Cb 0.44 -3.97 0.00 0.00 -0.61 0.00 0.00 39.78 35.64 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 -0.73 1.04 3.15 7.41 0.00 -1.26 -5.04 105.19 109.75 1x45 n GLY 63 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 1x45 n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x45 s THR 64 N -2.00 3.63 0.29 2.61 2.01 0.10 -5.07 115.64 117.20 1x45 s THR 64 Ca 0.00 -1.95 -0.30 0.00 0.31 0.00 0.00 61.69 59.75 1x45 s THR 64 Cb 0.00 -3.44 -0.12 0.00 0.01 0.00 0.00 72.50 68.95 1x45 s THR 64 CO 0.00 -0.72 1.54 -1.20 -0.69 0.00 0.00 174.62 173.56 1x45 n SER 65 N 4.71 3.62 -0.05 3.53 7.64 -1.26 -0.98 113.62 130.83 1x45 n SER 65 Ca -0.04 1.16 -0.01 0.00 1.01 0.00 0.00 58.87 60.99 1x45 n SER 65 Cb 0.41 -1.56 -0.13 0.00 -1.01 0.00 0.00 64.21 61.91 1x45 n SER 65 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1x45 n LEU 66 N 1.93 0.00 -4.72 -3.43 4.77 -1.16 -4.88 117.00 109.51 1x45 n LEU 66 Ca 0.08 0.00 -0.65 0.00 -0.03 0.00 0.00 56.01 55.41 1x45 n LEU 66 Cb 0.36 0.23 -0.09 0.00 -2.33 0.00 0.00 43.42 41.59 1x45 n LEU 66 CO 0.64 0.23 1.22 0.55 -1.33 0.00 0.00 177.39 178.70 1x45 n VAL 67 N -2.40 0.07 0.00 4.08 3.14 -1.26 0.63 118.33 122.60 1x45 n VAL 67 Ca -0.17 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.20 1x45 n VAL 67 Cb 0.79 -0.68 0.00 0.00 -1.06 0.00 0.00 33.84 32.89 1x45 n VAL 67 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1x45 n GLY 68 N 4.22 2.98 3.76 7.55 0.00 -1.25 -5.04 105.19 117.41 1x45 n GLY 68 Ca 0.31 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 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 4.06 0.71 0.99 1.43 0.21 -4.98 118.68 121.09 1x45 s LEU 69 Ca 0.00 2.77 -0.13 0.00 -1.03 0.00 0.00 54.13 55.74 1x45 s LEU 69 Cb 0.00 -4.04 0.03 0.00 0.03 0.00 0.00 46.19 42.21 1x45 s LEU 69 CO 0.00 -1.19 1.10 -2.16 0.23 0.00 0.00 176.35 174.34 1x45 s PRO 70 N -2.54 2.54 0.30 1.29 0.04 -1.26 -4.76 135.00 130.62 1x45 s PRO 70 Ca 0.63 1.28 0.02 0.00 0.04 0.00 0.00 61.00 62.97 1x45 s PRO 70 Cb -0.40 -1.92 0.57 0.00 0.04 0.00 0.00 34.50 32.78 1x45 s PRO 70 CO 0.51 -1.44 1.89 1.25 0.04 0.00 0.00 177.00 179.25 1x45 h LEU 71 N -0.53 0.88 -0.55 -3.56 5.85 -1.94 0.33 115.31 115.80 1x45 h LEU 71 Ca -0.45 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.25 1x45 h LEU 71 Cb 1.24 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 1x45 h LEU 71 CO 0.53 0.54 0.21 0.28 -0.34 0.00 0.00 178.44 179.66 1x45 h SER 72 N 0.99 0.76 0.41 1.25 0.02 -1.99 -1.97 113.55 113.01 1x45 h SER 72 Ca 0.42 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1x45 h SER 72 Cb 0.32 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1x45 h SER 72 CO -0.18 0.73 -0.19 0.74 -1.14 0.00 0.00 176.83 176.79 1x45 h THR 73 N 0.75 0.40 -0.96 -2.27 2.02 -1.69 -2.90 112.91 108.26 1x45 h THR 73 Ca 0.18 -0.61 0.25 0.00 0.77 0.00 0.00 66.41 67.01 1x45 h THR 73 Cb 0.21 0.61 -0.13 0.00 -1.74 0.00 0.00 68.15 67.10 1x45 h THR 73 CO -0.01 0.08 0.50 0.00 0.37 0.00 0.00 175.52 176.46 1x45 h GLN 75 N 0.45 0.34 -0.38 0.00 4.20 -1.35 -2.83 115.11 115.54 1x45 h GLN 75 Ca 0.63 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 59.39 1x45 h GLN 75 Cb 1.26 -0.08 -0.07 0.00 0.30 0.00 0.00 27.48 28.90 1x45 h GLN 75 CO -0.53 0.23 -0.05 1.03 -0.67 0.00 0.00 178.83 178.84 1x45 h SER 76 N 0.35 -0.26 -0.73 1.46 0.87 -0.58 0.35 113.55 115.00 1x45 h SER 76 Ca 0.09 0.10 0.17 0.00 -1.23 0.00 0.00 61.79 60.93 1x45 h SER 76 Cb -0.03 0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.08 1x45 h SER 76 CO -0.02 -0.09 0.50 0.40 -0.53 0.00 0.00 176.83 177.09 1x45 h ILE 77 N 0.05 0.73 0.00 2.23 2.04 -1.22 0.35 117.51 121.69 1x45 h ILE 77 Ca 0.19 -0.08 -0.05 0.00 1.00 0.00 0.00 64.86 65.91 1x45 h ILE 77 Cb 0.27 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1x45 h ILE 77 CO -0.36 0.04 -0.23 0.40 0.00 0.00 0.00 178.15 178.01 1x45 h ILE 78 N 0.25 0.42 0.00 -0.67 2.04 -0.76 -3.15 117.51 115.63 1x45 h ILE 78 Ca 0.36 -1.50 -0.07 0.00 1.00 0.00 0.00 64.86 64.65 1x45 h ILE 78 Cb 1.05 2.13 -0.01 0.00 -0.74 0.00 0.00 36.82 39.25 1x45 h ILE 78 CO -0.08 0.23 -0.34 0.11 0.00 0.00 0.00 178.15 178.07 1x45 h LYS 79 N 0.00 0.00 -0.96 2.37 1.57 0.69 -3.11 116.57 117.13 1x45 h LYS 79 Ca -0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1x45 h LYS 79 Cb 1.11 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.39 1x45 h LYS 79 CO 0.03 0.34 0.07 0.41 -0.57 0.00 0.00 179.45 179.73 1x45 n GLY 80 N 0.54 2.15 0.36 3.86 0.00 -1.00 -3.34 105.19 107.77 1x45 n GLY 80 Ca 0.01 -0.19 0.05 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 1.75 -0.19 0.99 4.77 -1.17 -4.60 117.00 118.70 1x45 n LEU 81 Ca 0.09 -0.99 -0.08 0.00 -0.03 0.00 0.00 56.01 54.99 1x45 n LEU 81 Cb 0.59 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.70 1x45 n LEU 81 CO 0.09 0.34 0.97 0.50 -1.33 0.00 0.00 177.39 177.96 1x45 h LYS 82 N 1.78 0.80 -0.54 3.23 3.64 -1.71 -1.92 116.57 121.84 1x45 h LYS 82 Ca 0.00 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1x45 h LYS 82 Cb 0.38 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1x45 h LYS 82 CO 0.00 0.70 0.00 -1.71 -2.27 0.00 0.00 179.45 176.17 1x45 n ASN 83 N -4.52 1.73 -3.98 4.20 2.85 -1.26 -1.33 115.26 112.94 1x45 n ASN 83 Ca 0.02 -2.13 -0.31 0.00 -0.11 0.00 0.00 54.58 52.06 1x45 n ASN 83 Cb 0.16 -0.34 -0.15 0.00 1.24 0.00 0.00 39.78 40.69 1x45 n ASN 83 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1x45 s GLN 84 N -1.61 1.56 0.12 1.20 -0.21 -0.72 -4.89 119.66 115.11 1x45 s GLN 84 Ca 0.15 -2.03 -0.33 0.00 0.02 0.00 0.00 55.36 53.16 1x45 s GLN 84 Cb 0.10 -3.15 -0.12 0.00 1.00 0.00 0.00 33.01 30.84 1x45 s GLN 84 CO 0.07 -0.99 1.56 0.66 -2.12 0.00 0.00 175.29 174.46 1x45 h SER 85 N 7.33 -1.71 -3.67 5.90 4.64 -1.80 -3.38 113.55 120.86 1x45 h SER 85 Ca -0.05 0.21 -0.66 0.00 -0.47 0.00 0.00 61.79 60.82 1x45 h SER 85 Cb 0.98 0.67 -0.22 0.00 -0.31 0.00 0.00 62.40 63.53 1x45 h SER 85 CO 0.56 -0.47 -0.59 -0.60 -0.87 0.00 0.00 176.83 174.85 1x45 s ARG 86 N -5.72 3.56 -0.02 4.77 3.52 -1.26 -0.26 118.95 123.54 1x45 s ARG 86 Ca -0.15 -0.56 0.07 0.00 -0.13 0.00 0.00 55.73 54.96 1x45 s ARG 86 Cb 0.08 -3.44 -0.02 0.00 -1.56 0.00 0.00 34.95 30.01 1x45 s ARG 86 CO 0.62 -0.27 -0.24 0.08 -0.81 0.00 0.00 175.30 174.68 1x45 s VAL 87 N 1.62 1.86 -0.18 7.11 1.01 -1.09 -5.01 120.40 125.73 1x45 s VAL 87 Ca 0.06 -1.02 -0.07 0.00 0.00 0.00 0.00 61.98 60.95 1x45 s VAL 87 Cb -0.16 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 1x45 s VAL 87 CO 0.05 0.52 0.04 -0.75 0.00 0.00 0.00 175.10 174.96 1x45 s LYS 88 N -0.58 3.91 -0.03 2.72 2.20 -1.26 -1.51 119.74 125.19 1x45 s LYS 88 Ca 0.09 -0.38 -0.05 0.00 -0.36 0.00 0.00 55.97 55.27 1x45 s LYS 88 Cb -0.09 -3.15 0.01 0.00 -1.51 0.00 0.00 37.83 33.09 1x45 s LYS 88 CO -0.01 0.27 0.12 -0.51 -0.36 0.00 0.00 175.35 174.86 1x45 s LEU 89 N 0.36 1.57 -0.25 5.43 1.43 -0.05 0.39 118.68 127.56 1x45 s LEU 89 Ca 0.01 0.09 -0.15 0.00 -1.03 0.00 0.00 54.13 53.06 1x45 s LEU 89 Cb -0.13 0.48 -0.04 0.00 0.03 0.00 0.00 46.19 46.53 1x45 s LEU 89 CO 0.01 -0.14 0.38 0.21 0.23 0.00 0.00 176.35 177.03 1x45 s ASN 90 N -0.40 6.29 0.09 2.29 3.04 -1.03 0.58 114.94 125.81 1x45 s ASN 90 Ca -0.05 0.34 0.06 0.00 0.04 0.00 0.00 52.86 53.25 1x45 s ASN 90 Cb -0.03 -2.21 -0.04 0.00 -1.54 0.00 0.00 41.25 37.42 1x45 s ASN 90 CO 0.00 -0.16 -0.04 -0.63 -3.04 0.00 0.00 177.10 173.24 1x45 s ILE 91 N 1.89 3.78 -0.22 -5.21 -1.09 -0.46 0.39 121.20 120.27 1x45 s ILE 91 Ca 0.16 -1.09 -0.04 0.00 -2.23 0.00 0.00 60.65 57.45 1x45 s ILE 91 Cb -0.15 -2.79 0.10 0.00 -1.58 0.00 0.00 42.46 38.04 1x45 s ILE 91 CO 0.09 0.12 0.24 -0.69 -1.23 0.00 0.00 174.94 173.47 1x45 s VAL 92 N -1.27 -0.34 -0.43 2.92 1.01 0.16 -0.88 120.40 121.57 1x45 s VAL 92 Ca 0.24 -0.17 -0.39 0.00 0.00 0.00 0.00 61.98 61.65 1x45 s VAL 92 Cb -0.11 -0.73 -0.17 0.00 0.00 0.00 0.00 36.38 35.37 1x45 s VAL 92 CO 0.17 -0.25 1.63 -0.24 0.00 0.00 0.00 175.10 176.41 1x45 n SER 93 N 5.32 0.84 -3.87 3.32 2.88 -1.26 -2.17 113.62 118.67 1x45 n SER 93 Ca -0.05 0.80 0.00 0.00 -1.33 0.00 0.00 58.87 58.28 1x45 n SER 93 Cb 0.49 -0.77 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 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 5.05 -3.39 3.63 0.46 0.00 -1.23 -4.82 105.19 104.89 1x45 n GLY 94 Ca 0.38 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.27 3.84 -0.10 1.61 0.04 -1.26 -4.99 135.00 133.87 1x45 s PRO 95 Ca 0.00 1.70 -0.22 0.00 0.04 0.00 0.00 61.00 62.52 1x45 s PRO 95 Cb 0.00 -4.02 -0.04 0.00 0.04 0.00 0.00 34.50 30.49 1x45 s PRO 95 CO 0.00 -1.23 0.64 0.45 0.04 0.00 0.00 177.00 176.90 1x45 s SER 96 N 4.05 6.87 -1.47 6.66 0.15 -1.26 -4.02 113.70 124.68 1x45 s SER 96 Ca 0.71 1.04 -0.10 0.00 0.70 0.00 0.00 55.95 58.29 1x45 s SER 96 Cb -0.25 -2.37 0.06 0.00 -1.71 0.00 0.00 66.02 61.75 1x45 s SER 96 CO 0.29 -0.12 0.94 -1.20 1.20 0.00 0.00 173.24 174.34 1x45 n SER 97 N 4.00 -4.12 0.00 5.45 7.64 -1.26 -5.21 113.62 120.12 1x45 n SER 97 Ca -0.02 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 59.08 1x45 n SER 97 Cb 0.51 -4.00 0.00 0.00 -1.01 0.00 0.00 64.21 59.71 1x45 n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64