#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 6.36 1.04 1.61 0.15 -1.26 -5.06 113.70 116.55 1x45 s SER 2 Ca 0.00 -2.22 -0.12 0.00 0.70 0.00 0.00 55.95 54.31 1x45 s SER 2 Cb 0.00 -2.18 0.22 0.00 -1.71 0.00 0.00 66.02 62.34 1x45 s SER 2 CO 0.00 -0.71 1.07 -0.94 1.20 0.00 0.00 173.24 173.86 1x45 s SER 3 N 2.82 2.06 0.00 5.45 1.04 -1.26 -4.94 113.70 118.87 1x45 s SER 3 Ca 0.10 1.51 0.00 0.00 0.48 0.00 0.00 55.95 58.04 1x45 s SER 3 Cb -0.21 -2.20 0.00 0.00 0.10 0.00 0.00 66.02 63.71 1x45 s SER 3 CO -0.03 -3.53 0.00 0.61 0.98 0.00 0.00 173.24 171.28 1x45 n GLY 4 N -0.10 2.57 2.70 7.32 0.00 -1.26 -5.05 105.19 111.37 1x45 n GLY 4 Ca 0.05 -1.93 -0.19 0.00 0.00 0.00 0.00 46.02 43.95 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 0.95 -0.73 1.61 1.04 -1.26 -5.08 113.70 110.22 1x45 s SER 5 Ca 0.00 0.09 -0.26 0.00 0.48 0.00 0.00 55.95 56.26 1x45 s SER 5 Cb 0.00 -0.10 -0.11 0.00 0.10 0.00 0.00 66.02 65.91 1x45 s SER 5 CO 0.00 -0.23 2.35 -0.94 0.98 0.00 0.00 173.24 175.40 1x45 s SER 6 N 2.01 4.15 0.00 7.02 1.04 -1.26 -4.67 113.70 121.98 1x45 s SER 6 Ca 0.03 0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.66 1x45 s SER 6 Cb -0.12 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1x45 s SER 6 CO -0.03 -3.53 0.00 0.61 0.98 0.00 0.00 173.24 171.26 1x45 n GLY 7 N 6.62 2.09 3.71 7.32 0.00 -0.59 -4.85 105.19 119.48 1x45 n GLY 7 Ca 0.43 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 2.00 6.79 0.13 1.61 1.47 -1.26 -0.83 116.67 126.58 1x45 s ASP 8 Ca 0.00 2.33 0.09 0.00 1.18 0.00 0.00 52.55 56.16 1x45 s ASP 8 Cb 0.00 -2.58 -0.04 0.00 -0.34 0.00 0.00 42.92 39.96 1x45 s ASP 8 CO 0.00 -0.69 -0.22 -0.69 0.68 0.00 0.00 175.17 174.25 1x45 s VAL 9 N 1.36 1.93 -0.19 2.11 1.01 0.24 -4.91 120.40 121.95 1x45 s VAL 9 Ca 0.65 -1.72 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 1x45 s VAL 9 Cb -0.37 -1.77 0.06 0.00 0.00 0.00 0.00 36.38 34.30 1x45 s VAL 9 CO 0.30 -0.08 0.05 -0.36 0.00 0.00 0.00 175.10 175.01 1x45 s PHE 10 N -1.36 0.83 -0.56 5.22 0.40 -1.26 -0.14 117.98 121.10 1x45 s PHE 10 Ca 0.11 -0.75 -0.22 0.00 -0.60 0.00 0.00 56.93 55.47 1x45 s PHE 10 Cb -0.09 -0.96 0.05 0.00 0.51 0.00 0.00 43.02 42.53 1x45 s PHE 10 CO 0.06 -0.60 0.86 0.42 0.70 0.00 0.00 175.22 176.66 1x45 s ILE 11 N 1.92 4.51 -0.47 0.64 -1.09 -0.36 -4.93 121.20 121.42 1x45 s ILE 11 Ca 0.00 -0.08 -0.25 0.00 -2.23 0.00 0.00 60.65 58.10 1x45 s ILE 11 Cb -0.17 -4.50 0.03 0.00 -1.58 0.00 0.00 42.46 36.24 1x45 s ILE 11 CO -0.09 -1.10 0.89 -1.61 -1.23 0.00 0.00 174.94 171.80 1x45 s GLU 12 N 3.60 3.47 0.19 2.79 2.02 -1.26 -2.73 118.70 126.78 1x45 s GLU 12 Ca 0.24 0.03 0.03 0.00 0.02 0.00 0.00 54.97 55.30 1x45 s GLU 12 Cb -0.15 -3.95 -0.01 0.00 0.10 0.00 0.00 34.13 30.12 1x45 s GLU 12 CO 0.15 -1.23 0.11 0.36 0.02 0.00 0.00 175.26 174.67 1x45 n LYS 13 N 7.09 0.47 -4.47 1.61 2.85 0.17 -4.89 118.16 120.99 1x45 n LYS 13 Ca 0.05 -1.71 -0.34 0.00 -1.05 0.00 0.00 58.31 55.25 1x45 n LYS 13 Cb 0.48 1.17 -0.10 0.00 -0.65 0.00 0.00 35.03 35.93 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 -2.73 2.94 0.54 -1.58 -0.21 -1.26 -4.39 119.66 112.96 1x45 s GLN 14 Ca 0.15 -0.47 -0.22 0.00 0.02 0.00 0.00 55.36 54.85 1x45 s GLN 14 Cb 0.01 -2.72 -0.05 0.00 1.00 0.00 0.00 33.01 31.24 1x45 s GLN 14 CO 0.11 0.66 1.36 0.15 -2.12 0.00 0.00 175.29 175.45 1x45 s LYS 15 N -0.77 3.16 0.00 2.91 1.02 -1.26 -3.01 119.74 121.80 1x45 s LYS 15 Ca 0.12 2.25 0.00 0.00 0.02 0.00 0.00 55.97 58.36 1x45 s LYS 15 Cb -0.11 -2.28 0.00 0.00 -0.52 0.00 0.00 37.83 34.92 1x45 s LYS 15 CO 0.02 -1.18 0.00 0.41 -0.92 0.00 0.00 175.35 173.68 1x45 n GLY 16 N 0.72 2.65 3.98 -3.33 0.00 0.36 -4.97 105.19 104.60 1x45 n GLY 16 Ca 0.10 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 3.08 0.62 1.61 -1.05 -1.17 -4.94 118.70 116.85 1x45 s GLU 17 Ca 0.00 -0.90 -0.02 0.00 -0.15 0.00 0.00 54.97 53.89 1x45 s GLU 17 Cb 0.00 -2.76 0.04 0.00 -0.44 0.00 0.00 34.13 30.98 1x45 s GLU 17 CO 0.00 -0.04 0.88 0.96 0.95 0.00 0.00 175.26 178.01 1x45 s ILE 18 N -2.28 2.54 -1.69 1.83 -4.36 -1.26 -4.20 121.20 111.79 1x45 s ILE 18 Ca 0.46 -0.47 0.15 0.00 -0.26 0.00 0.00 60.65 60.54 1x45 s ILE 18 Cb -0.10 -3.02 0.34 0.00 1.25 0.00 0.00 42.46 40.93 1x45 s ILE 18 CO 0.33 -0.02 1.38 -0.11 0.24 0.00 0.00 174.94 176.76 1x45 n LEU 19 N -2.60 0.00 -4.20 0.37 7.94 -1.26 -4.54 117.00 112.71 1x45 n LEU 19 Ca 0.08 0.16 -0.30 0.00 -1.11 0.00 0.00 56.01 54.83 1x45 n LEU 19 Cb 0.60 -0.16 -0.07 0.00 0.53 0.00 0.00 43.42 44.33 1x45 n LEU 19 CO 0.48 -0.08 -0.34 0.61 -1.11 0.00 0.00 177.39 176.95 1x45 n GLY 20 N -0.02 -0.19 3.24 -3.96 0.00 -1.26 -2.98 105.19 100.01 1x45 n GLY 20 Ca 0.09 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.09 0.07 -0.04 1.61 0.11 -1.26 -1.55 120.40 115.25 1x45 s VAL 21 Ca 0.10 -0.54 0.06 0.00 -2.93 0.00 0.00 61.98 58.68 1x45 s VAL 21 Cb -0.06 -0.70 -0.02 0.00 -1.53 0.00 0.00 36.38 34.07 1x45 s VAL 21 CO 0.96 -0.30 -0.22 -0.69 -3.33 0.00 0.00 175.10 171.52 1x45 s VAL 22 N -1.66 2.35 0.17 2.04 1.01 0.10 -4.97 120.40 119.43 1x45 s VAL 22 Ca -0.11 -0.99 0.09 0.00 0.00 0.00 0.00 61.98 60.97 1x45 s VAL 22 Cb -0.04 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 1x45 s VAL 22 CO 0.02 0.58 -0.20 0.27 0.00 0.00 0.00 175.10 175.77 1x45 s ILE 23 N -0.53 1.97 0.12 2.22 -4.36 -1.26 -0.15 121.20 119.21 1x45 s ILE 23 Ca 0.07 -1.90 -0.06 0.00 -0.26 0.00 0.00 60.65 58.50 1x45 s ILE 23 Cb -0.11 -1.89 -0.02 0.00 1.25 0.00 0.00 42.46 41.69 1x45 s ILE 23 CO 0.00 -0.22 0.15 0.68 0.24 0.00 0.00 174.94 175.80 1x45 s VAL 24 N -1.81 0.12 0.30 8.37 -7.23 0.11 -4.74 120.40 115.52 1x45 s VAL 24 Ca 0.16 -1.52 -0.27 0.00 -1.81 0.00 0.00 61.98 58.54 1x45 s VAL 24 Cb -0.07 -1.69 -0.14 0.00 0.56 0.00 0.00 36.38 35.04 1x45 s VAL 24 CO 0.07 -0.55 0.93 -0.62 -0.31 0.00 0.00 175.10 174.62 1x45 n GLU 25 N -0.09 1.17 -0.70 4.82 1.02 -1.26 -0.95 120.64 124.65 1x45 n GLU 25 Ca -0.10 0.41 -0.06 0.00 -0.02 0.00 0.00 57.16 57.39 1x45 n GLU 25 Cb 0.63 -1.76 -0.09 0.00 -0.02 0.00 0.00 31.44 30.19 1x45 n GLU 25 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1x45 n SER 26 N 1.22 4.52 -2.17 1.62 2.88 -1.26 -4.58 113.62 115.85 1x45 n SER 26 Ca 0.10 -2.29 -0.03 0.00 -1.33 0.00 0.00 58.87 55.33 1x45 n SER 26 Cb 0.33 -1.12 -0.00 0.00 -0.75 0.00 0.00 64.21 62.66 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 2.20 -0.38 3.11 0.46 0.00 -1.26 -0.84 105.19 108.48 1x45 n GLY 27 Ca 0.23 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.02 -0.92 0.00 1.61 7.02 -1.26 -4.70 117.44 117.17 1x45 n TRP 28 Ca 0.01 0.34 0.00 0.00 -1.02 0.00 0.00 57.50 56.83 1x45 n TRP 28 Cb 0.38 -1.10 0.00 0.00 -2.42 0.00 0.00 31.31 28.17 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 -0.74 -0.19 2.92 6.99 0.00 -0.02 -4.99 105.19 109.17 1x45 n GLY 29 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.27 -2.34 -0.32 1.61 2.88 -1.26 -4.75 113.62 107.18 1x45 n SER 30 Ca 0.00 0.76 -0.06 0.00 -1.33 0.00 0.00 58.87 58.23 1x45 n SER 30 Cb 0.00 -0.79 -0.04 0.00 -0.75 0.00 0.00 64.21 62.63 1x45 n SER 30 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1x45 n ILE 31 N -0.77 -0.49 -3.44 2.46 2.08 -1.26 -2.94 119.36 115.00 1x45 n ILE 31 Ca 0.11 1.86 -0.44 0.00 0.56 0.00 0.00 62.75 64.84 1x45 n ILE 31 Cb 0.33 -2.34 -0.05 0.00 -0.75 0.00 0.00 39.64 36.83 1x45 n ILE 31 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1x45 s LEU 32 N -10.04 6.16 -0.96 1.39 2.01 -1.26 -5.01 118.68 110.96 1x45 s LEU 32 Ca -0.10 -2.38 -0.24 0.00 0.01 0.00 0.00 54.13 51.43 1x45 s LEU 32 Cb 0.11 -2.11 -0.06 0.00 0.01 0.00 0.00 46.19 44.14 1x45 s LEU 32 CO 0.50 -0.62 1.95 -2.16 1.01 0.00 0.00 176.35 177.03 1x45 s PRO 33 N 0.66 2.54 0.00 1.29 0.04 -1.15 -4.70 135.00 133.69 1x45 s PRO 33 Ca 0.12 -0.48 0.00 0.00 0.04 0.00 0.00 61.00 60.68 1x45 s PRO 33 Cb -0.19 -5.10 0.00 0.00 0.04 0.00 0.00 34.50 29.25 1x45 s PRO 33 CO -0.04 -3.52 0.00 0.25 0.04 0.00 0.00 177.00 173.74 1x45 n THR 34 N 7.87 0.00 -3.64 1.26 -2.24 -1.26 -3.64 114.28 112.62 1x45 n THR 34 Ca 0.41 0.13 -0.05 0.00 -2.27 0.00 0.00 64.05 62.27 1x45 n THR 34 Cb 0.47 -1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 67.62 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 0.09 2.28 -7.23 -1.26 -4.30 120.40 109.58 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 -0.03 0.00 0.56 0.00 0.00 36.38 35.91 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 -0.35 1.23 0.12 -0.62 -4.36 -0.13 -0.78 121.20 116.31 1x45 s ILE 36 Ca 0.06 -1.47 -0.31 0.00 -0.26 0.00 0.00 60.65 58.67 1x45 s ILE 36 Cb -0.03 -1.27 -0.09 0.00 1.25 0.00 0.00 42.46 42.31 1x45 s ILE 36 CO -0.10 -0.28 1.59 -0.63 0.24 0.00 0.00 174.94 175.76 1x45 s ILE 37 N -1.58 2.84 -0.11 8.37 1.09 -0.67 0.04 121.20 131.18 1x45 s ILE 37 Ca 0.02 0.50 0.20 0.00 -1.10 0.00 0.00 60.65 60.27 1x45 s ILE 37 Cb -0.08 -3.32 -0.29 0.00 -1.06 0.00 0.00 42.46 37.71 1x45 s ILE 37 CO 0.03 0.02 0.32 0.00 -0.10 0.00 0.00 174.94 175.21 1x45 n ALA 38 N 4.64 2.21 -3.57 9.38 0.00 0.78 -2.73 120.51 131.22 1x45 n ALA 38 Ca 0.14 -0.87 -0.08 0.00 0.00 0.00 0.00 53.44 52.63 1x45 n ALA 38 Cb 0.40 -0.51 -0.03 0.00 0.00 0.00 0.00 19.45 19.30 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 -4.99 -0.29 0.03 0.00 2.47 -1.19 -4.99 114.94 105.97 1x45 s ASN 39 Ca -0.09 0.17 0.09 0.00 0.42 0.00 0.00 52.86 53.45 1x45 s ASN 39 Cb 0.10 0.27 -0.03 0.00 -1.45 0.00 0.00 41.25 40.15 1x45 s ASN 39 CO 0.87 -0.37 -0.26 -0.04 -3.72 0.00 0.00 177.10 173.58 1x45 s MET 40 N -1.95 1.89 0.81 0.43 -1.94 -1.26 -0.72 119.30 116.57 1x45 s MET 40 Ca 0.03 -1.06 -0.13 0.00 -1.71 0.00 0.00 55.69 52.83 1x45 s MET 40 Cb -0.01 -2.00 0.09 0.00 2.01 0.00 0.00 34.83 34.92 1x45 s MET 40 CO -0.04 0.53 1.18 1.41 -0.01 0.00 0.00 175.02 178.09 1x45 s MET 41 N -1.08 1.63 -0.22 2.03 1.75 -0.59 -4.88 119.30 117.95 1x45 s MET 41 Ca 0.11 1.66 -0.02 0.00 -1.25 0.00 0.00 55.69 56.19 1x45 s MET 41 Cb -0.10 -1.78 0.05 0.00 2.84 0.00 0.00 34.83 35.84 1x45 s MET 41 CO 0.01 -2.20 2.43 0.72 -0.65 0.00 0.00 175.02 175.34 1x45 n HIS 42 N -3.42 0.92 0.00 4.11 8.25 -1.26 -3.95 115.22 119.87 1x45 n HIS 42 Ca 0.13 -1.65 0.00 0.00 -0.26 0.00 0.00 57.72 55.94 1x45 n HIS 42 Cb 0.51 -1.04 0.00 0.00 1.12 0.00 0.00 29.99 30.58 1x45 n HIS 42 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x45 n GLY 43 N 1.09 0.00 3.06 -1.41 0.00 -1.26 -5.16 105.19 101.50 1x45 n GLY 43 Ca 0.29 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.15 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 1.90 0.23 -0.02 0.00 -1.25 -4.97 105.19 101.08 1x45 n GLY 44 Ca 0.00 -2.20 -0.08 0.00 0.00 0.00 0.00 46.02 43.74 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 0.62 -0.23 1.61 0.13 -1.80 -2.12 132.00 130.22 1x45 h PRO 45 Ca -0.21 -0.32 -0.07 0.00 -0.87 0.00 0.00 66.00 64.52 1x45 h PRO 45 Cb 0.98 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 1x45 h PRO 45 CO 0.30 0.92 -0.14 0.00 -0.23 0.00 0.00 178.00 178.85 1x45 h ALA 46 N 1.03 0.32 -0.15 -0.56 0.00 -1.76 0.52 119.26 118.66 1x45 h ALA 46 Ca 0.04 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1x45 h ALA 46 Cb 0.93 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1x45 h ALA 46 CO 0.08 0.21 -0.26 1.49 0.00 0.00 0.00 179.25 180.77 1x45 h GLU 47 N 0.20 0.28 0.16 0.00 4.57 -1.78 -2.85 114.58 115.16 1x45 h GLU 47 Ca 0.05 -0.10 -0.31 0.00 -1.18 0.00 0.00 59.36 57.82 1x45 h GLU 47 Cb 0.66 -0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.24 1x45 h GLU 47 CO 0.04 0.52 -1.51 0.87 -1.18 0.00 0.00 179.01 177.76 1x45 h LYS 48 N 0.25 0.34 -0.50 1.92 1.57 -1.29 -3.34 116.57 115.51 1x45 h LYS 48 Ca 0.04 -0.57 0.08 0.00 -1.87 0.00 0.00 60.65 58.32 1x45 h LYS 48 Cb 0.59 0.21 -0.06 0.00 0.08 0.00 0.00 32.23 33.05 1x45 h LYS 48 CO 0.04 1.23 0.15 0.66 -0.57 0.00 0.00 179.45 180.97 1x45 h SER 49 N 0.09 0.12 -0.19 0.86 4.64 0.18 -3.46 113.55 115.79 1x45 h SER 49 Ca -0.24 0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 61.07 1x45 h SER 49 Cb 2.05 0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 64.18 1x45 h SER 49 CO 0.20 0.09 -0.08 0.61 -0.87 0.00 0.00 176.83 176.78 1x45 n GLY 50 N -1.27 0.64 0.15 -0.77 0.00 -1.09 -4.87 105.19 97.98 1x45 n GLY 50 Ca 0.06 -0.29 0.06 0.00 0.00 0.00 0.00 46.02 45.85 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 0.31 0.00 -5.33 1.61 1.79 -1.89 -3.46 116.57 109.60 1x45 h LYS 51 Ca -0.08 0.00 -0.66 0.00 -2.18 0.00 0.00 60.65 57.72 1x45 h LYS 51 Cb 0.50 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.02 1x45 h LYS 51 CO 0.12 0.25 -0.53 -0.48 -1.08 0.00 0.00 179.45 177.73 1x45 s LEU 52 N -6.09 2.45 -0.01 2.94 -0.00 -1.26 -4.79 118.68 111.92 1x45 s LEU 52 Ca 0.03 -1.57 -0.20 0.00 -0.00 0.00 0.00 54.13 52.38 1x45 s LEU 52 Cb 0.07 -0.79 0.04 0.00 -0.00 0.00 0.00 46.19 45.51 1x45 s LEU 52 CO 0.74 -0.76 0.45 0.20 -0.00 0.00 0.00 176.35 176.98 1x45 s ASN 53 N -3.85 -0.35 -0.46 1.48 0.01 -1.26 -5.04 114.94 105.47 1x45 s ASN 53 Ca 0.14 0.24 -0.31 0.00 -0.71 0.00 0.00 52.86 52.21 1x45 s ASN 53 Cb 0.04 0.41 -0.11 0.00 0.41 0.00 0.00 41.25 42.00 1x45 s ASN 53 CO 0.07 -0.56 2.33 -0.38 -1.51 0.00 0.00 177.10 177.05 1x45 n ILE 54 N 0.93 0.11 0.00 0.60 2.08 -1.26 -0.61 119.36 121.20 1x45 n ILE 54 Ca -0.20 -0.39 0.00 0.00 0.56 0.00 0.00 62.75 62.73 1x45 n ILE 54 Cb 0.57 -1.88 0.00 0.00 -0.75 0.00 0.00 39.64 37.58 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 6.32 1.26 3.75 7.39 0.00 -1.11 -5.02 105.19 117.78 1x45 n GLY 55 Ca 0.42 0.00 -0.34 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 -1.10 4.81 0.22 1.61 1.11 0.22 -3.77 116.67 119.77 1x45 s ASP 56 Ca 0.00 2.27 0.10 0.00 0.18 0.00 0.00 52.55 55.10 1x45 s ASP 56 Cb 0.00 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.36 1x45 s ASP 56 CO 0.00 -1.84 -0.11 0.00 1.18 0.00 0.00 175.17 174.40 1x45 s GLN 57 N -3.74 2.00 -0.27 8.23 -2.07 -1.08 -1.67 119.66 121.05 1x45 s GLN 57 Ca 0.73 -1.42 -0.06 0.00 -1.82 0.00 0.00 55.36 52.79 1x45 s GLN 57 Cb -0.27 -2.06 -0.00 0.00 -1.09 0.00 0.00 33.01 29.59 1x45 s GLN 57 CO 0.39 0.39 0.04 0.42 -1.32 0.00 0.00 175.29 175.22 1x45 s ILE 58 N -2.00 3.84 0.06 3.63 1.01 0.04 0.16 121.20 127.93 1x45 s ILE 58 Ca 0.27 -0.58 -0.18 0.00 0.00 0.00 0.00 60.65 60.16 1x45 s ILE 58 Cb -0.07 -2.90 -0.12 0.00 0.01 0.00 0.00 42.46 39.38 1x45 s ILE 58 CO 0.16 0.20 1.38 0.24 0.00 0.00 0.00 174.94 176.92 1x45 h MET 59 N 8.19 0.48 -3.45 2.79 2.86 -0.09 -3.39 114.93 122.32 1x45 h MET 59 Ca -0.35 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.01 1x45 h MET 59 Cb 1.14 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.73 1x45 h MET 59 CO 0.60 0.82 -0.00 -1.54 1.06 0.00 0.00 176.91 177.85 1x45 s SER 60 N -6.27 -0.09 -0.31 1.22 1.04 -1.24 -2.71 113.70 105.34 1x45 s SER 60 Ca -0.13 -0.87 -0.00 0.00 0.48 0.00 0.00 55.95 55.42 1x45 s SER 60 Cb 0.06 0.64 0.10 0.00 0.10 0.00 0.00 66.02 66.93 1x45 s SER 60 CO 0.78 -1.23 0.09 -0.63 0.98 0.00 0.00 173.24 173.23 1x45 s ILE 61 N -3.87 1.06 -1.70 -1.02 1.01 -0.11 -1.87 121.20 114.70 1x45 s ILE 61 Ca 0.19 -1.51 0.00 0.00 0.00 0.00 0.00 60.65 59.33 1x45 s ILE 61 Cb -0.02 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.65 1x45 s ILE 61 CO 0.09 -0.66 0.00 0.59 0.00 0.00 0.00 174.94 174.96 1x45 n ASN 62 N 4.77 -5.26 0.00 3.58 3.02 0.27 -1.88 115.26 119.77 1x45 n ASN 62 Ca -0.01 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1x45 n ASN 62 Cb 0.42 -4.34 0.00 0.00 -0.61 0.00 0.00 39.78 35.25 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 -0.91 1.04 3.35 7.41 0.00 -1.26 -5.04 105.19 109.78 1x45 n GLY 63 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 1x45 n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x45 s THR 64 N -2.00 4.61 0.15 2.61 2.01 -0.79 -5.06 115.64 117.17 1x45 s THR 64 Ca 0.00 -1.02 -0.31 0.00 0.31 0.00 0.00 61.69 60.66 1x45 s THR 64 Cb 0.00 -3.66 -0.09 0.00 0.01 0.00 0.00 72.50 68.75 1x45 s THR 64 CO 0.00 -0.36 1.51 -0.44 -0.69 0.00 0.00 174.62 174.64 1x45 s SER 65 N 1.84 6.66 -0.21 3.53 0.01 -1.26 -0.93 113.70 123.34 1x45 s SER 65 Ca 0.03 2.53 0.15 0.00 1.31 0.00 0.00 55.95 59.97 1x45 s SER 65 Cb -0.21 -2.59 -0.24 0.00 0.21 0.00 0.00 66.02 63.19 1x45 s SER 65 CO 0.06 -0.77 0.02 0.18 0.41 0.00 0.00 173.24 173.14 1x45 n LEU 66 N 3.93 0.52 -3.66 2.44 4.77 -1.10 -4.87 117.00 119.03 1x45 n LEU 66 Ca 0.13 -0.02 -0.52 0.00 -0.03 0.00 0.00 56.01 55.57 1x45 n LEU 66 Cb 0.40 0.25 -0.08 0.00 -2.33 0.00 0.00 43.42 41.66 1x45 n LEU 66 CO 0.61 0.57 0.84 0.55 -1.33 0.00 0.00 177.39 178.63 1x45 n VAL 67 N -2.84 0.00 0.00 4.08 3.14 -1.26 1.00 118.33 122.45 1x45 n VAL 67 Ca -0.35 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.03 1x45 n VAL 67 Cb 1.13 -0.34 0.00 0.00 -1.06 0.00 0.00 33.84 33.57 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 2.86 2.72 3.69 7.55 0.00 -1.24 -5.03 105.19 115.75 1x45 n GLY 68 Ca 0.23 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 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 3.96 -4.77 0.99 4.77 0.28 -4.96 117.00 117.27 1x45 n LEU 69 Ca 0.00 1.10 -0.33 0.00 -0.03 0.00 0.00 56.01 56.75 1x45 n LEU 69 Cb 0.00 -1.49 0.06 0.00 -2.33 0.00 0.00 43.42 39.66 1x45 n LEU 69 CO 0.00 -0.72 0.73 -2.16 -1.33 0.00 0.00 177.39 173.91 1x45 s PRO 70 N -2.22 2.69 0.43 3.23 0.04 -1.26 -4.77 135.00 133.15 1x45 s PRO 70 Ca 0.62 1.35 0.13 0.00 0.04 0.00 0.00 61.00 63.13 1x45 s PRO 70 Cb -0.51 -1.94 1.00 0.00 0.04 0.00 0.00 34.50 33.10 1x45 s PRO 70 CO 0.58 -1.33 1.98 1.25 0.04 0.00 0.00 177.00 179.52 1x45 h LEU 71 N -0.20 0.39 -0.37 -3.56 5.85 -1.93 -0.22 115.31 115.27 1x45 h LEU 71 Ca -0.46 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.17 1x45 h LEU 71 Cb 1.24 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1x45 h LEU 71 CO 0.53 0.24 -0.13 0.77 -0.34 0.00 0.00 178.44 179.51 1x45 h SER 72 N 0.44 0.75 0.45 1.25 4.64 -1.99 -2.63 113.55 116.47 1x45 h SER 72 Ca 0.27 -0.38 -0.02 0.00 -0.47 0.00 0.00 61.79 61.19 1x45 h SER 72 Cb 0.50 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1x45 h SER 72 CO -0.08 0.97 -0.22 0.74 -0.87 0.00 0.00 176.83 177.37 1x45 h THR 73 N 0.53 0.32 -1.03 2.95 2.02 -1.63 -2.98 112.91 113.08 1x45 h THR 73 Ca 0.09 -0.56 0.30 0.00 0.77 0.00 0.00 66.41 67.01 1x45 h THR 73 Cb 0.66 0.48 -0.13 0.00 -1.74 0.00 0.00 68.15 67.41 1x45 h THR 73 CO 0.04 0.06 0.61 0.00 0.37 0.00 0.00 175.52 176.61 1x45 h GLN 75 N 0.40 0.11 -0.51 0.00 4.20 -1.44 -2.84 115.11 115.02 1x45 h GLN 75 Ca 0.70 -0.01 0.09 0.00 0.06 0.00 0.00 58.65 59.49 1x45 h GLN 75 Cb 1.57 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 29.25 1x45 h GLN 75 CO -0.51 0.10 0.06 1.03 -0.67 0.00 0.00 178.83 178.84 1x45 h SER 76 N 0.09 -0.10 -0.40 1.46 0.87 -0.56 0.15 113.55 115.06 1x45 h SER 76 Ca 0.03 0.11 0.11 0.00 -1.23 0.00 0.00 61.79 60.81 1x45 h SER 76 Cb 0.02 0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 1x45 h SER 76 CO -0.01 -0.02 0.30 0.40 -0.53 0.00 0.00 176.83 176.97 1x45 h ILE 77 N 0.18 0.73 0.00 2.23 2.04 -1.24 0.26 117.51 121.71 1x45 h ILE 77 Ca 0.26 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.12 1x45 h ILE 77 Cb 0.38 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1x45 h ILE 77 CO -0.38 0.00 -0.23 0.40 0.00 0.00 0.00 178.15 177.94 1x45 h ILE 78 N 0.00 0.03 0.00 -0.67 2.04 -0.52 -3.23 117.51 115.16 1x45 h ILE 78 Ca 0.19 -1.05 -0.08 0.00 1.00 0.00 0.00 64.86 64.92 1x45 h ILE 78 Cb 0.78 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 1x45 h ILE 78 CO -0.00 0.02 -0.40 0.11 0.00 0.00 0.00 178.15 177.88 1x45 h LYS 79 N 0.00 0.00 -0.96 2.37 1.57 0.43 -3.13 116.57 116.85 1x45 h LYS 79 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1x45 h LYS 79 Cb 1.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 1x45 h LYS 79 CO 0.00 0.40 0.04 0.41 -0.57 0.00 0.00 179.45 179.74 1x45 n GLY 80 N 0.66 2.01 0.30 3.86 0.00 -1.07 -3.29 105.19 107.65 1x45 n GLY 80 Ca 0.01 -0.16 0.06 0.00 0.00 0.00 0.00 46.02 45.93 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 1.43 -0.26 0.99 4.77 -1.18 -4.56 117.00 118.35 1x45 n LEU 81 Ca 0.06 -0.80 -0.03 0.00 -0.03 0.00 0.00 56.01 55.22 1x45 n LEU 81 Cb 0.52 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.70 1x45 n LEU 81 CO 0.07 0.28 1.15 0.50 -1.33 0.00 0.00 177.39 178.06 1x45 h LYS 82 N 1.47 0.85 -0.10 3.23 3.64 -1.72 0.07 116.57 124.00 1x45 h LYS 82 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1x45 h LYS 82 Cb 0.42 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1x45 h LYS 82 CO 0.00 0.56 0.00 -1.71 -2.27 0.00 0.00 179.45 176.03 1x45 n ASN 83 N -4.66 0.83 -4.22 4.20 5.15 -1.26 -0.49 115.26 114.81 1x45 n ASN 83 Ca 0.08 -1.68 -0.37 0.00 -0.60 0.00 0.00 54.58 52.01 1x45 n ASN 83 Cb 0.11 -0.07 -0.12 0.00 -0.53 0.00 0.00 39.78 39.16 1x45 n ASN 83 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1x45 s GLN 84 N -1.86 2.47 0.05 1.20 -0.21 0.01 -4.83 119.66 116.48 1x45 s GLN 84 Ca 0.25 -1.34 -0.32 0.00 0.02 0.00 0.00 55.36 53.96 1x45 s GLN 84 Cb 0.12 -3.44 -0.18 0.00 1.00 0.00 0.00 33.01 30.52 1x45 s GLN 84 CO 0.19 -0.75 1.46 0.66 -2.12 0.00 0.00 175.29 174.73 1x45 h SER 85 N 8.15 -0.98 -3.61 5.90 4.64 -1.79 -3.40 113.55 122.46 1x45 h SER 85 Ca -0.21 0.03 -0.70 0.00 -0.47 0.00 0.00 61.79 60.45 1x45 h SER 85 Cb 1.07 0.25 -0.24 0.00 -0.31 0.00 0.00 62.40 63.17 1x45 h SER 85 CO 0.62 -0.69 -0.54 -0.60 -0.87 0.00 0.00 176.83 174.75 1x45 s ARG 86 N -5.49 2.99 -0.05 4.77 3.52 -1.26 -0.66 118.95 122.77 1x45 s ARG 86 Ca -0.17 -0.96 0.04 0.00 -0.13 0.00 0.00 55.73 54.51 1x45 s ARG 86 Cb 0.02 -3.65 -0.02 0.00 -1.56 0.00 0.00 34.95 29.73 1x45 s ARG 86 CO 0.51 -0.60 -0.15 0.08 -0.81 0.00 0.00 175.30 174.33 1x45 s VAL 87 N 1.56 2.99 -0.21 7.11 1.01 -1.10 -4.99 120.40 126.76 1x45 s VAL 87 Ca 0.03 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 1x45 s VAL 87 Cb -0.18 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1x45 s VAL 87 CO 0.06 0.59 0.09 -0.75 0.00 0.00 0.00 175.10 175.09 1x45 s LYS 88 N -0.66 3.93 0.01 2.72 2.20 -1.26 -1.23 119.74 125.45 1x45 s LYS 88 Ca 0.10 -0.35 0.01 0.00 -0.36 0.00 0.00 55.97 55.36 1x45 s LYS 88 Cb -0.11 -3.32 -0.01 0.00 -1.51 0.00 0.00 37.83 32.88 1x45 s LYS 88 CO 0.01 0.12 -0.03 -0.51 -0.36 0.00 0.00 175.35 174.57 1x45 s LEU 89 N 0.82 2.07 -0.28 5.43 1.43 0.80 0.96 118.68 129.91 1x45 s LEU 89 Ca 0.05 -0.18 -0.14 0.00 -1.03 0.00 0.00 54.13 52.82 1x45 s LEU 89 Cb -0.13 -0.10 -0.04 0.00 0.03 0.00 0.00 46.19 45.94 1x45 s LEU 89 CO 0.02 -0.05 0.34 0.21 0.23 0.00 0.00 176.35 177.11 1x45 s ASN 90 N -0.48 6.21 0.08 2.29 3.04 -0.78 0.83 114.94 126.13 1x45 s ASN 90 Ca -0.03 0.21 0.03 0.00 0.04 0.00 0.00 52.86 53.11 1x45 s ASN 90 Cb -0.04 -2.20 -0.04 0.00 -1.54 0.00 0.00 41.25 37.44 1x45 s ASN 90 CO -0.00 -0.17 0.07 -0.63 -3.04 0.00 0.00 177.10 173.32 1x45 s ILE 91 N 2.02 4.45 -0.22 -5.21 -1.09 -0.01 0.66 121.20 121.81 1x45 s ILE 91 Ca 0.14 -0.81 -0.04 0.00 -2.23 0.00 0.00 60.65 57.71 1x45 s ILE 91 Cb -0.16 -3.14 0.10 0.00 -1.58 0.00 0.00 42.46 37.68 1x45 s ILE 91 CO 0.10 0.12 0.23 -0.69 -1.23 0.00 0.00 174.94 173.47 1x45 s VAL 92 N -1.38 -0.33 -0.37 2.92 1.01 0.12 -1.54 120.40 120.83 1x45 s VAL 92 Ca 0.29 -0.17 -0.35 0.00 0.00 0.00 0.00 61.98 61.75 1x45 s VAL 92 Cb -0.12 -0.72 -0.15 0.00 0.00 0.00 0.00 36.38 35.39 1x45 s VAL 92 CO 0.21 -0.24 1.21 -1.54 0.00 0.00 0.00 175.10 174.74 1x45 n SER 93 N 5.32 0.89 -3.69 3.32 3.41 -1.26 -2.65 113.62 118.96 1x45 n SER 93 Ca -0.05 0.87 0.00 0.00 -0.26 0.00 0.00 58.87 59.43 1x45 n SER 93 Cb 0.49 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1x45 n SER 93 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x45 n GLY 94 N 3.09 -2.96 0.00 5.00 0.00 -1.25 -4.72 105.19 104.35 1x45 n GLY 94 Ca 0.24 -1.01 0.06 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.03 0.49 -1.06 1.61 -0.04 -1.26 -4.89 135.00 129.83 1x45 n PRO 95 Ca 0.00 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.07 1x45 n PRO 95 Cb 0.00 -1.37 -0.04 0.00 -0.04 0.00 0.00 33.50 32.05 1x45 n PRO 95 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x45 n SER 96 N -0.87 -0.49 -3.95 3.54 7.64 -1.26 -4.96 113.62 113.26 1x45 n SER 96 Ca 0.09 0.84 -0.11 0.00 1.01 0.00 0.00 58.87 60.69 1x45 n SER 96 Cb 0.04 -0.68 -0.12 0.00 -1.01 0.00 0.00 64.21 62.43 1x45 n SER 96 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x45 s SER 97 N -0.39 0.28 0.00 6.43 0.01 -1.26 -5.17 113.70 113.60 1x45 s SER 97 Ca 0.56 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.51 1x45 s SER 97 Cb -0.80 0.04 0.00 0.00 0.21 0.00 0.00 66.02 65.48 1x45 s SER 97 CO 0.41 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.51