#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x45 n SER 2 N 0.00 0.10 -4.77 1.61 3.41 -1.26 -4.32 113.62 108.40 1x45 n SER 2 Ca 0.00 1.55 -0.39 0.00 -0.26 0.00 0.00 58.87 59.76 1x45 n SER 2 Cb 0.00 -0.66 -0.03 0.00 -0.26 0.00 0.00 64.21 63.27 1x45 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x45 s SER 3 N -4.79 6.83 0.00 4.04 0.01 -1.26 -4.97 113.70 113.57 1x45 s SER 3 Ca -0.10 2.38 0.00 0.00 1.31 0.00 0.00 55.95 59.54 1x45 s SER 3 Cb 0.29 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1x45 s SER 3 CO 0.72 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 174.52 1x45 n GLY 4 N 0.83 0.60 3.58 3.44 0.00 -1.26 -5.09 105.19 107.30 1x45 n GLY 4 Ca 0.02 0.48 -0.06 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 -0.28 -0.55 1.61 0.01 -1.26 -5.10 113.70 108.13 1x45 s SER 5 Ca 0.00 -0.11 -0.42 0.00 1.31 0.00 0.00 55.95 56.74 1x45 s SER 5 Cb 0.00 0.38 -0.19 0.00 0.21 0.00 0.00 66.02 66.42 1x45 s SER 5 CO 0.00 -0.64 2.21 -1.20 0.41 0.00 0.00 173.24 174.02 1x45 n SER 6 N -0.30 0.81 0.00 2.44 7.64 -1.26 -4.70 113.62 118.25 1x45 n SER 6 Ca -0.07 0.59 0.00 0.00 1.01 0.00 0.00 58.87 60.40 1x45 n SER 6 Cb 0.61 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1x45 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x45 n GLY 7 N 7.30 -0.68 3.71 0.23 0.00 -0.03 -4.94 105.19 110.77 1x45 n GLY 7 Ca 0.55 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 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 6.56 0.11 1.61 1.47 -1.26 -1.77 116.67 119.38 1x45 s ASP 8 Ca 0.00 2.62 0.10 0.00 1.18 0.00 0.00 52.55 56.46 1x45 s ASP 8 Cb 0.00 -2.59 -0.04 0.00 -0.34 0.00 0.00 42.92 39.96 1x45 s ASP 8 CO 0.00 -0.87 -0.26 -0.69 0.68 0.00 0.00 175.17 174.03 1x45 s VAL 9 N 1.61 2.17 -0.21 2.11 1.01 0.20 -4.93 120.40 122.38 1x45 s VAL 9 Ca 0.72 -1.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.03 1x45 s VAL 9 Cb -0.44 -1.91 0.06 0.00 0.00 0.00 0.00 36.38 34.09 1x45 s VAL 9 CO 0.32 0.14 0.02 -0.36 0.00 0.00 0.00 175.10 175.21 1x45 s PHE 10 N -1.01 1.35 -0.51 5.22 0.40 -1.26 -0.46 117.98 121.71 1x45 s PHE 10 Ca 0.13 -1.08 -0.20 0.00 -0.60 0.00 0.00 56.93 55.18 1x45 s PHE 10 Cb -0.10 -1.17 0.06 0.00 0.51 0.00 0.00 43.02 42.32 1x45 s PHE 10 CO 0.05 -0.65 0.66 0.42 0.70 0.00 0.00 175.22 176.40 1x45 s ILE 11 N 1.75 4.81 -0.43 0.64 -1.09 -0.68 -4.95 121.20 121.25 1x45 s ILE 11 Ca -0.02 -0.38 -0.23 0.00 -2.23 0.00 0.00 60.65 57.79 1x45 s ILE 11 Cb -0.17 -4.33 0.02 0.00 -1.58 0.00 0.00 42.46 36.40 1x45 s ILE 11 CO -0.08 -0.84 0.77 -1.61 -1.23 0.00 0.00 174.94 171.95 1x45 s GLU 12 N 2.79 3.47 0.21 2.79 2.02 -1.26 -2.84 118.70 125.88 1x45 s GLU 12 Ca 0.17 -0.04 0.02 0.00 0.02 0.00 0.00 54.97 55.13 1x45 s GLU 12 Cb -0.18 -3.91 -0.01 0.00 0.10 0.00 0.00 34.13 30.13 1x45 s GLU 12 CO 0.13 -1.05 0.07 0.36 0.02 0.00 0.00 175.26 174.78 1x45 n LYS 13 N 6.62 0.82 -3.77 1.61 2.85 0.34 -4.94 118.16 121.68 1x45 n LYS 13 Ca 0.02 -1.76 -0.37 0.00 -1.05 0.00 0.00 58.31 55.15 1x45 n LYS 13 Cb 0.48 0.91 -0.13 0.00 -0.65 0.00 0.00 35.03 35.65 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 -2.80 3.09 0.29 -1.58 -0.21 -1.26 -4.49 119.66 112.70 1x45 s GLN 14 Ca 0.10 -0.85 -0.19 0.00 0.02 0.00 0.00 55.36 54.43 1x45 s GLN 14 Cb 0.00 -3.35 -0.13 0.00 1.00 0.00 0.00 33.01 30.53 1x45 s GLN 14 CO 0.07 -0.43 0.16 1.63 -2.12 0.00 0.00 175.29 174.59 1x45 n LYS 15 N 4.86 0.00 0.00 2.91 5.02 -1.26 -2.29 118.16 127.39 1x45 n LYS 15 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 1x45 n LYS 15 Cb 0.48 -0.83 0.00 0.00 -0.02 0.00 0.00 35.03 34.66 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 1.87 2.95 3.96 0.72 0.00 0.11 -4.98 105.19 109.81 1x45 n GLY 16 Ca 0.11 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 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 2.80 0.77 1.61 -1.05 -0.97 -4.90 118.70 116.96 1x45 s GLU 17 Ca 0.00 -0.57 -0.04 0.00 -0.15 0.00 0.00 54.97 54.20 1x45 s GLU 17 Cb 0.00 -2.50 0.14 0.00 -0.44 0.00 0.00 34.13 31.33 1x45 s GLU 17 CO 0.00 -0.52 1.06 0.96 0.95 0.00 0.00 175.26 177.71 1x45 s ILE 18 N -2.70 2.13 -2.00 1.83 -4.36 -1.26 -4.17 121.20 110.67 1x45 s ILE 18 Ca 0.53 -0.44 0.02 0.00 -0.26 0.00 0.00 60.65 60.49 1x45 s ILE 18 Cb -0.10 -2.69 0.05 0.00 1.25 0.00 0.00 42.46 40.97 1x45 s ILE 18 CO 0.39 0.00 0.95 -0.11 0.24 0.00 0.00 174.94 176.41 1x45 n LEU 19 N -3.03 0.00 -3.68 0.37 7.94 -1.26 -4.60 117.00 112.73 1x45 n LEU 19 Ca 0.14 0.00 -0.23 0.00 -1.11 0.00 0.00 56.01 54.81 1x45 n LEU 19 Cb 0.60 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.49 1x45 n LEU 19 CO 0.44 0.00 -0.26 0.61 -1.11 0.00 0.00 177.39 177.07 1x45 n GLY 20 N 0.40 -0.14 3.21 -3.96 0.00 -1.26 -3.42 105.19 100.03 1x45 n GLY 20 Ca 0.01 0.10 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.54 0.05 -0.04 1.61 0.11 -1.26 -1.68 120.40 115.65 1x45 s VAL 21 Ca 0.16 -0.43 0.06 0.00 -2.93 0.00 0.00 61.98 58.84 1x45 s VAL 21 Cb -0.09 -0.55 -0.02 0.00 -1.53 0.00 0.00 36.38 34.18 1x45 s VAL 21 CO 0.68 -0.24 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.33 1x45 s VAL 22 N -1.09 2.59 0.26 2.04 1.01 0.07 -4.95 120.40 120.33 1x45 s VAL 22 Ca -0.12 -0.90 0.11 0.00 0.00 0.00 0.00 61.98 61.07 1x45 s VAL 22 Cb -0.05 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 1x45 s VAL 22 CO 0.03 0.59 -0.18 0.27 0.00 0.00 0.00 175.10 175.81 1x45 s ILE 23 N -0.66 2.27 0.14 2.22 -4.36 -1.26 -0.06 121.20 119.49 1x45 s ILE 23 Ca 0.10 -2.35 -0.12 0.00 -0.26 0.00 0.00 60.65 58.03 1x45 s ILE 23 Cb -0.10 -2.26 0.01 0.00 1.25 0.00 0.00 42.46 41.36 1x45 s ILE 23 CO -0.00 -0.44 0.32 0.68 0.24 0.00 0.00 174.94 175.74 1x45 s VAL 24 N -2.64 0.08 0.22 8.37 -7.23 0.39 -4.67 120.40 114.92 1x45 s VAL 24 Ca 0.28 -1.04 -0.31 0.00 -1.81 0.00 0.00 61.98 59.11 1x45 s VAL 24 Cb -0.03 -1.49 -0.15 0.00 0.56 0.00 0.00 36.38 35.27 1x45 s VAL 24 CO 0.13 -0.38 1.16 -0.62 -0.31 0.00 0.00 175.10 175.09 1x45 n GLU 25 N -0.19 1.40 -0.73 4.82 1.02 -1.26 -1.27 120.64 124.43 1x45 n GLU 25 Ca -0.12 0.50 -0.08 0.00 -0.02 0.00 0.00 57.16 57.44 1x45 n GLU 25 Cb 0.63 -1.99 -0.11 0.00 -0.02 0.00 0.00 31.44 29.95 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 1.77 4.17 -1.93 1.62 2.88 -1.26 -4.65 113.62 116.22 1x45 n SER 26 Ca 0.12 -2.25 0.00 0.00 -1.33 0.00 0.00 58.87 55.41 1x45 n SER 26 Cb 0.28 -1.09 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 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 2.45 -0.33 2.79 0.46 0.00 -1.26 -1.24 105.19 108.06 1x45 n GLY 27 Ca 0.29 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.89 -1.06 0.00 1.61 7.02 -1.26 -4.69 117.44 117.17 1x45 n TRP 28 Ca 0.00 0.25 0.00 0.00 -1.02 0.00 0.00 57.50 56.73 1x45 n TRP 28 Cb 0.33 -1.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.22 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 -0.63 -0.19 2.36 6.99 0.00 -0.37 -4.97 105.19 108.38 1x45 n GLY 29 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.29 -1.63 -0.28 1.61 3.41 -1.26 -4.73 113.62 108.46 1x45 n SER 30 Ca 0.00 0.65 -0.07 0.00 -0.26 0.00 0.00 58.87 59.19 1x45 n SER 30 Cb 0.00 -0.64 -0.07 0.00 -0.26 0.00 0.00 64.21 63.24 1x45 n SER 30 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1x45 n ILE 31 N -0.47 -0.45 -3.47 -1.33 2.08 -1.26 -2.80 119.36 111.66 1x45 n ILE 31 Ca 0.10 1.63 -0.43 0.00 0.56 0.00 0.00 62.75 64.61 1x45 n ILE 31 Cb 0.25 -2.02 -0.05 0.00 -0.75 0.00 0.00 39.64 37.06 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 -9.61 6.12 -0.73 1.39 2.01 -1.26 -5.02 118.68 111.57 1x45 s LEU 32 Ca -0.08 -2.50 -0.26 0.00 0.01 0.00 0.00 54.13 51.30 1x45 s LEU 32 Cb 0.07 -2.08 -0.03 0.00 0.01 0.00 0.00 46.19 44.16 1x45 s LEU 32 CO 0.41 -0.57 1.90 -2.16 1.01 0.00 0.00 176.35 176.94 1x45 s PRO 33 N 0.47 2.60 0.00 1.29 0.04 -1.12 -4.74 135.00 133.54 1x45 s PRO 33 Ca 0.14 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.41 1x45 s PRO 33 Cb -0.18 -4.67 0.00 0.00 0.04 0.00 0.00 34.50 29.69 1x45 s PRO 33 CO -0.05 -3.01 0.00 0.25 0.04 0.00 0.00 177.00 174.24 1x45 n THR 34 N 7.49 0.00 -3.64 1.26 -2.24 -1.26 -3.66 114.28 112.24 1x45 n THR 34 Ca 0.29 0.07 -0.05 0.00 -2.27 0.00 0.00 64.05 62.09 1x45 n THR 34 Cb 0.50 -0.87 -0.06 0.00 -2.10 0.00 0.00 70.33 67.80 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 -0.41 0.00 0.10 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 -0.16 0.27 -0.31 0.00 0.00 175.10 174.90 1x45 s ILE 36 N -0.43 1.37 -0.12 -0.62 -4.36 -0.39 -0.60 121.20 116.04 1x45 s ILE 36 Ca 0.06 -1.53 -0.29 0.00 -0.26 0.00 0.00 60.65 58.63 1x45 s ILE 36 Cb -0.03 -1.38 -0.05 0.00 1.25 0.00 0.00 42.46 42.25 1x45 s ILE 36 CO -0.10 -0.25 1.86 -0.63 0.24 0.00 0.00 174.94 176.06 1x45 s ILE 37 N -1.57 3.33 -0.04 8.37 1.09 -0.63 -0.46 121.20 131.28 1x45 s ILE 37 Ca 0.05 0.38 0.13 0.00 -1.10 0.00 0.00 60.65 60.10 1x45 s ILE 37 Cb -0.08 -3.32 -0.18 0.00 -1.06 0.00 0.00 42.46 37.82 1x45 s ILE 37 CO 0.03 -0.12 0.88 0.00 -0.10 0.00 0.00 174.94 175.64 1x45 h ALA 38 N 11.51 0.66 -2.27 9.38 0.00 -0.74 -2.81 119.26 134.98 1x45 h ALA 38 Ca -0.41 -1.12 0.13 0.00 0.00 0.00 0.00 54.91 53.51 1x45 h ALA 38 Cb 1.20 0.27 -0.14 0.00 0.00 0.00 0.00 17.79 19.12 1x45 h ALA 38 CO 0.97 1.28 0.50 1.21 0.00 0.00 0.00 179.25 183.20 1x45 s ASN 39 N -6.16 -0.32 -0.06 0.00 3.84 -1.16 -4.98 114.94 106.11 1x45 s ASN 39 Ca -0.02 -0.08 0.03 0.00 0.21 0.00 0.00 52.86 53.00 1x45 s ASN 39 Cb 0.08 0.40 0.01 0.00 -0.55 0.00 0.00 41.25 41.19 1x45 s ASN 39 CO 0.81 -0.67 -0.15 -0.04 -2.79 0.00 0.00 177.10 174.27 1x45 s MET 40 N -3.14 1.85 0.72 0.43 -1.94 -1.26 -0.75 119.30 115.22 1x45 s MET 40 Ca 0.07 -0.53 -0.16 0.00 -1.71 0.00 0.00 55.69 53.36 1x45 s MET 40 Cb -0.01 -1.54 0.02 0.00 2.01 0.00 0.00 34.83 35.32 1x45 s MET 40 CO -0.07 0.13 1.14 -0.12 -0.01 0.00 0.00 175.02 176.09 1x45 n MET 41 N 3.52 0.62 -2.71 2.03 1.56 -0.68 -4.89 117.12 116.58 1x45 n MET 41 Ca -0.20 0.27 -0.43 0.00 -0.27 0.00 0.00 57.70 57.06 1x45 n MET 41 Cb 0.52 -2.39 0.00 0.00 2.15 0.00 0.00 33.22 33.51 1x45 n MET 41 CO 0.00 0.00 0.00 -2.39 -0.73 0.00 0.00 175.97 172.85 1x45 n HIS 42 N -2.53 4.58 0.00 1.12 1.44 -1.26 -3.59 115.22 114.98 1x45 n HIS 42 Ca 0.14 -3.13 0.00 0.00 -2.01 0.00 0.00 57.72 52.73 1x45 n HIS 42 Cb 0.49 -2.31 0.00 0.00 0.12 0.00 0.00 29.99 28.29 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 4.31 1.98 4.00 -1.39 0.00 -1.26 -5.14 105.19 107.69 1x45 n GLY 43 Ca 0.42 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.98 1.75 0.20 -0.02 0.00 -1.24 -4.95 107.32 101.09 1x45 s GLY 44 Ca 0.00 -1.82 -0.03 0.00 0.00 0.00 0.00 44.72 42.86 1x45 s GLY 44 CO 0.00 -1.20 1.56 -0.56 0.00 0.00 0.00 173.10 172.90 1x45 h PRO 45 N -0.65 0.63 -0.15 2.90 0.13 -1.81 -2.36 132.00 130.69 1x45 h PRO 45 Ca -0.35 -0.33 -0.07 0.00 -0.87 0.00 0.00 66.00 64.38 1x45 h PRO 45 Cb 1.26 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 1x45 h PRO 45 CO 0.37 0.93 -0.19 0.00 -0.23 0.00 0.00 178.00 178.89 1x45 h ALA 46 N 1.03 0.22 -0.39 -0.56 0.00 -1.76 0.28 119.26 118.08 1x45 h ALA 46 Ca 0.04 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1x45 h ALA 46 Cb 0.94 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1x45 h ALA 46 CO 0.08 0.15 0.09 1.49 0.00 0.00 0.00 179.25 181.06 1x45 h GLU 47 N 0.01 0.58 0.17 0.00 4.57 -1.76 -2.47 114.58 115.68 1x45 h GLU 47 Ca 0.02 -0.10 -0.31 0.00 -1.18 0.00 0.00 59.36 57.79 1x45 h GLU 47 Cb 0.74 -0.10 0.01 0.00 -0.16 0.00 0.00 28.75 29.25 1x45 h GLU 47 CO 0.04 0.54 -1.43 0.87 -1.18 0.00 0.00 179.01 177.85 1x45 h LYS 48 N 0.56 0.36 -1.00 1.92 1.57 -1.38 -3.31 116.57 115.30 1x45 h LYS 48 Ca 0.13 -0.62 0.08 0.00 -1.87 0.00 0.00 60.65 58.37 1x45 h LYS 48 Cb 0.23 0.23 -0.07 0.00 0.08 0.00 0.00 32.23 32.69 1x45 h LYS 48 CO -0.00 1.27 0.64 0.66 -0.57 0.00 0.00 179.45 181.46 1x45 h SER 49 N 0.10 1.01 -0.54 0.86 4.64 -0.16 -3.45 113.55 116.00 1x45 h SER 49 Ca -0.22 0.02 -0.23 0.00 -0.47 0.00 0.00 61.79 60.89 1x45 h SER 49 Cb 2.06 -0.19 -0.09 0.00 -0.31 0.00 0.00 62.40 63.86 1x45 h SER 49 CO 0.21 0.62 -0.21 0.61 -0.87 0.00 0.00 176.83 177.19 1x45 n GLY 50 N -1.36 1.13 0.17 -0.77 0.00 -0.96 -4.83 105.19 98.58 1x45 n GLY 50 Ca 0.16 -0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.17 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 0.04 0.00 -5.19 1.61 1.79 -1.88 -3.46 116.57 109.48 1x45 h LYS 51 Ca -0.23 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 57.56 1x45 h LYS 51 Cb 1.09 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.61 1x45 h LYS 51 CO 0.34 0.36 -0.51 -0.48 -1.08 0.00 0.00 179.45 178.08 1x45 s LEU 52 N -6.47 2.28 -0.15 2.94 -0.00 -1.26 -4.85 118.68 111.16 1x45 s LEU 52 Ca 0.04 -1.66 -0.19 0.00 -0.00 0.00 0.00 54.13 52.32 1x45 s LEU 52 Cb 0.08 -0.72 0.05 0.00 -0.00 0.00 0.00 46.19 45.59 1x45 s LEU 52 CO 0.71 -0.86 0.50 0.20 -0.00 0.00 0.00 176.35 176.90 1x45 s ASN 53 N -3.88 -0.50 -0.54 1.48 0.02 -1.26 -5.06 114.94 105.20 1x45 s ASN 53 Ca 0.05 0.86 -0.38 0.00 -1.02 0.00 0.00 52.86 52.37 1x45 s ASN 53 Cb 0.01 0.88 -0.16 0.00 0.02 0.00 0.00 41.25 42.00 1x45 s ASN 53 CO 0.03 -0.26 2.27 -0.38 0.02 0.00 0.00 177.10 178.77 1x45 n ILE 54 N 2.38 0.06 0.00 0.60 2.08 -1.26 -0.22 119.36 122.99 1x45 n ILE 54 Ca -0.15 -0.13 0.00 0.00 0.56 0.00 0.00 62.75 63.03 1x45 n ILE 54 Cb 0.56 -0.99 0.00 0.00 -0.75 0.00 0.00 39.64 38.46 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 6.94 0.91 3.75 7.39 0.00 -1.06 -5.01 105.19 118.11 1x45 n GLY 55 Ca 0.52 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.88 5.10 0.17 1.61 1.11 0.69 -3.69 116.67 120.79 1x45 s ASP 56 Ca 0.00 2.39 0.08 0.00 0.18 0.00 0.00 52.55 55.20 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 -1.65 -0.06 0.00 1.18 0.00 0.00 175.17 174.64 1x45 s GLN 57 N -3.38 2.21 -0.34 8.23 -2.07 -1.01 -1.61 119.66 121.69 1x45 s GLN 57 Ca 0.77 -1.18 -0.11 0.00 -1.82 0.00 0.00 55.36 53.02 1x45 s GLN 57 Cb -0.30 -2.25 -0.00 0.00 -1.09 0.00 0.00 33.01 29.36 1x45 s GLN 57 CO 0.34 0.45 0.20 0.42 -1.32 0.00 0.00 175.29 175.38 1x45 s ILE 58 N -1.69 4.87 0.16 3.63 1.01 0.23 0.03 121.20 129.44 1x45 s ILE 58 Ca 0.26 -0.43 -0.11 0.00 0.00 0.00 0.00 60.65 60.36 1x45 s ILE 58 Cb -0.09 -3.54 0.03 0.00 0.01 0.00 0.00 42.46 38.87 1x45 s ILE 58 CO 0.17 -0.03 1.61 0.24 0.00 0.00 0.00 174.94 176.93 1x45 h MET 59 N 8.43 0.95 -3.12 2.79 2.86 0.09 -3.40 114.93 123.53 1x45 h MET 59 Ca -0.31 -0.31 -0.00 0.00 -2.06 0.00 0.00 59.70 57.02 1x45 h MET 59 Cb 1.14 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.69 1x45 h MET 59 CO 0.64 0.98 0.20 -1.54 1.06 0.00 0.00 176.91 178.24 1x45 s SER 60 N -6.47 -0.05 -0.27 1.22 1.04 -1.23 -3.18 113.70 104.76 1x45 s SER 60 Ca -0.12 -0.94 -0.02 0.00 0.48 0.00 0.00 55.95 55.35 1x45 s SER 60 Cb 0.12 0.77 0.09 0.00 0.10 0.00 0.00 66.02 67.10 1x45 s SER 60 CO 0.84 -1.49 0.08 -0.63 0.98 0.00 0.00 173.24 173.02 1x45 s ILE 61 N -3.12 0.63 -1.81 -1.02 1.01 0.05 -2.26 121.20 114.68 1x45 s ILE 61 Ca 0.15 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.76 1x45 s ILE 61 Cb -0.05 -1.37 0.00 0.00 0.01 0.00 0.00 42.46 41.06 1x45 s ILE 61 CO 0.10 -0.53 0.00 0.59 0.00 0.00 0.00 174.94 175.10 1x45 n ASN 62 N 4.97 -5.84 0.00 3.58 3.02 0.19 -1.68 115.26 119.49 1x45 n ASN 62 Ca -0.05 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1x45 n ASN 62 Cb 0.44 -4.88 0.00 0.00 -0.61 0.00 0.00 39.78 34.72 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 -0.97 0.92 3.20 7.41 0.00 -1.26 -5.04 105.19 109.45 1x45 n GLY 63 Ca -0.24 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 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 3.43 0.04 2.61 2.01 -0.68 -5.07 115.64 115.98 1x45 s THR 64 Ca 0.00 -1.47 -0.30 0.00 0.31 0.00 0.00 61.69 60.23 1x45 s THR 64 Cb 0.00 -3.06 -0.07 0.00 0.01 0.00 0.00 72.50 69.37 1x45 s THR 64 CO 0.00 -0.31 1.57 -0.44 -0.69 0.00 0.00 174.62 174.75 1x45 s SER 65 N 1.53 6.69 0.00 3.53 0.01 -1.26 -0.77 113.70 123.43 1x45 s SER 65 Ca -0.00 2.35 0.23 0.00 1.31 0.00 0.00 55.95 59.84 1x45 s SER 65 Cb -0.21 -2.56 0.53 0.00 0.21 0.00 0.00 66.02 63.99 1x45 s SER 65 CO -0.00 -0.83 1.45 0.18 0.41 0.00 0.00 173.24 174.44 1x45 n LEU 66 N 5.57 2.67 -4.64 2.44 4.77 -1.19 -4.87 117.00 121.75 1x45 n LEU 66 Ca 0.15 -1.06 -0.47 0.00 -0.03 0.00 0.00 56.01 54.60 1x45 n LEU 66 Cb 0.42 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.33 1x45 n LEU 66 CO 0.61 0.53 1.61 0.52 -1.33 0.00 0.00 177.39 179.33 1x45 n VAL 67 N 1.01 0.53 0.00 4.08 0.31 -1.26 -1.48 118.33 121.52 1x45 n VAL 67 Ca 0.17 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1x45 n VAL 67 Cb 0.51 -2.04 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 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 4.91 2.63 3.60 2.92 0.00 -1.24 -5.02 105.19 112.99 1x45 n GLY 68 Ca 0.26 -0.68 -0.45 0.00 0.00 0.00 0.00 46.02 45.15 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 2.03 -4.77 0.99 4.77 -0.55 -4.94 117.00 114.54 1x45 n LEU 69 Ca 0.00 1.18 -0.32 0.00 -0.03 0.00 0.00 56.01 56.84 1x45 n LEU 69 Cb 0.00 -1.31 0.07 0.00 -2.33 0.00 0.00 43.42 39.85 1x45 n LEU 69 CO 0.00 -1.24 0.72 -2.16 -1.33 0.00 0.00 177.39 173.37 1x45 s PRO 70 N -1.43 2.49 0.47 3.23 0.04 -1.26 -4.75 135.00 133.80 1x45 s PRO 70 Ca 0.60 1.26 0.17 0.00 0.04 0.00 0.00 61.00 63.07 1x45 s PRO 70 Cb -0.70 -1.92 1.16 0.00 0.04 0.00 0.00 34.50 33.08 1x45 s PRO 70 CO 0.59 -1.47 2.03 1.25 0.04 0.00 0.00 177.00 179.44 1x45 h LEU 71 N -0.63 0.21 -0.13 -3.56 5.85 -1.92 0.22 115.31 115.35 1x45 h LEU 71 Ca -0.45 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.20 1x45 h LEU 71 Cb 1.24 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 1x45 h LEU 71 CO 0.52 0.13 -0.20 0.77 -0.34 0.00 0.00 178.44 179.32 1x45 h SER 72 N 0.23 0.41 0.36 1.25 4.64 -1.99 -2.67 113.55 115.79 1x45 h SER 72 Ca 0.20 -0.53 -0.02 0.00 -0.47 0.00 0.00 61.79 60.97 1x45 h SER 72 Cb 0.48 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1x45 h SER 72 CO -0.04 0.86 -0.17 0.74 -0.87 0.00 0.00 176.83 177.35 1x45 h THR 73 N -0.03 0.61 -0.83 2.95 2.02 -1.72 -2.79 112.91 113.12 1x45 h THR 73 Ca 0.01 -0.50 0.19 0.00 0.77 0.00 0.00 66.41 66.88 1x45 h THR 73 Cb 0.77 0.85 -0.12 0.00 -1.74 0.00 0.00 68.15 67.91 1x45 h THR 73 CO 0.05 0.09 0.30 0.00 0.37 0.00 0.00 175.52 176.33 1x45 h GLN 75 N 0.36 0.03 -0.62 0.00 4.20 -1.42 -2.50 115.11 115.15 1x45 h GLN 75 Ca 0.49 -0.00 0.12 0.00 0.06 0.00 0.00 58.65 59.32 1x45 h GLN 75 Cb 0.88 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.56 1x45 h GLN 75 CO -0.51 0.02 0.11 1.03 -0.67 0.00 0.00 178.83 178.80 1x45 h SER 76 N 0.03 -0.05 -0.24 1.46 0.87 -0.82 0.29 113.55 115.08 1x45 h SER 76 Ca 0.07 0.12 0.07 0.00 -1.23 0.00 0.00 61.79 60.82 1x45 h SER 76 Cb 0.10 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1x45 h SER 76 CO -0.13 -0.02 0.18 0.40 -0.53 0.00 0.00 176.83 176.72 1x45 h ILE 77 N 0.23 0.85 0.00 2.23 2.04 -1.02 0.71 117.51 122.55 1x45 h ILE 77 Ca 0.33 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.15 1x45 h ILE 77 Cb 0.51 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1x45 h ILE 77 CO -0.44 0.00 -0.50 0.40 0.00 0.00 0.00 178.15 177.61 1x45 h ILE 78 N 0.00 0.23 0.00 -0.67 2.04 -0.22 -3.28 117.51 115.62 1x45 h ILE 78 Ca 0.12 -1.36 -0.13 0.00 1.00 0.00 0.00 64.86 64.49 1x45 h ILE 78 Cb 0.47 1.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 1x45 h ILE 78 CO -0.00 0.13 -0.61 0.11 0.00 0.00 0.00 178.15 177.78 1x45 h LYS 79 N 0.00 0.00 -0.98 2.37 1.57 0.72 -3.05 116.57 117.21 1x45 h LYS 79 Ca -0.02 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1x45 h LYS 79 Cb 1.14 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.45 1x45 h LYS 79 CO 0.02 0.61 0.00 0.41 -0.57 0.00 0.00 179.45 179.93 1x45 n GLY 80 N 0.48 1.62 0.32 3.86 0.00 -0.99 -3.16 105.19 107.31 1x45 n GLY 80 Ca -0.01 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.05 1x45 n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x45 n LEU 81 N 0.06 1.54 -0.23 0.99 4.77 -1.15 -4.45 117.00 118.53 1x45 n LEU 81 Ca 0.02 -0.71 0.08 0.00 -0.03 0.00 0.00 56.01 55.37 1x45 n LEU 81 Cb 0.32 0.00 0.35 0.00 -2.33 0.00 0.00 43.42 41.76 1x45 n LEU 81 CO 0.02 0.30 1.22 0.50 -1.33 0.00 0.00 177.39 178.10 1x45 h LYS 82 N 1.57 0.73 -0.34 3.23 3.64 -1.71 0.27 116.57 123.96 1x45 h LYS 82 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1x45 h LYS 82 Cb 0.56 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1x45 h LYS 82 CO 0.00 0.49 0.00 -1.71 -2.27 0.00 0.00 179.45 175.96 1x45 n ASN 83 N -4.51 1.75 -4.05 4.20 2.85 -1.26 0.07 115.26 114.31 1x45 n ASN 83 Ca 0.13 -2.02 -0.32 0.00 -0.11 0.00 0.00 54.58 52.26 1x45 n ASN 83 Cb 0.32 -0.23 -0.15 0.00 1.24 0.00 0.00 39.78 40.96 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 -1.59 1.77 0.07 1.20 -0.21 0.95 -4.84 119.66 117.02 1x45 s GLN 84 Ca 0.21 -1.70 -0.34 0.00 0.02 0.00 0.00 55.36 53.55 1x45 s GLN 84 Cb 0.11 -3.15 -0.18 0.00 1.00 0.00 0.00 33.01 30.79 1x45 s GLN 84 CO 0.14 -0.84 1.60 0.66 -2.12 0.00 0.00 175.29 174.74 1x45 h SER 85 N 7.71 -0.98 -3.50 5.90 4.64 -1.79 -3.39 113.55 122.14 1x45 h SER 85 Ca -0.10 0.05 -0.72 0.00 -0.47 0.00 0.00 61.79 60.56 1x45 h SER 85 Cb 1.03 0.28 -0.24 0.00 -0.31 0.00 0.00 62.40 63.16 1x45 h SER 85 CO 0.52 -0.62 -0.46 -0.60 -0.87 0.00 0.00 176.83 174.80 1x45 s ARG 86 N -6.01 2.86 -0.09 4.77 3.52 -1.26 -0.51 118.95 122.23 1x45 s ARG 86 Ca -0.18 -1.15 0.03 0.00 -0.13 0.00 0.00 55.73 54.30 1x45 s ARG 86 Cb 0.04 -3.87 -0.01 0.00 -1.56 0.00 0.00 34.95 29.54 1x45 s ARG 86 CO 0.62 -0.79 -0.19 0.08 -0.81 0.00 0.00 175.30 174.21 1x45 s VAL 87 N 1.59 2.59 -0.16 7.11 1.01 -1.13 -4.99 120.40 126.42 1x45 s VAL 87 Ca 0.03 -0.85 -0.13 0.00 0.00 0.00 0.00 61.98 61.03 1x45 s VAL 87 Cb -0.20 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 1x45 s VAL 87 CO 0.07 0.56 0.25 -0.75 0.00 0.00 0.00 175.10 175.23 1x45 s LYS 88 N 0.02 4.19 -0.01 2.72 2.20 -1.26 -1.69 119.74 125.91 1x45 s LYS 88 Ca -0.07 0.02 -0.02 0.00 -0.36 0.00 0.00 55.97 55.54 1x45 s LYS 88 Cb -0.15 -3.41 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 1x45 s LYS 88 CO 0.05 0.29 0.05 -0.51 -0.36 0.00 0.00 175.35 174.87 1x45 s LEU 89 N 0.33 1.82 -0.34 5.43 1.43 0.39 0.54 118.68 128.29 1x45 s LEU 89 Ca 0.15 -0.01 -0.16 0.00 -1.03 0.00 0.00 54.13 53.07 1x45 s LEU 89 Cb -0.13 0.23 -0.01 0.00 0.03 0.00 0.00 46.19 46.32 1x45 s LEU 89 CO 0.03 -0.10 0.42 0.21 0.23 0.00 0.00 176.35 177.14 1x45 s ASN 90 N -0.34 6.24 0.01 2.29 3.04 -0.96 0.63 114.94 125.85 1x45 s ASN 90 Ca -0.04 -0.09 0.01 0.00 0.04 0.00 0.00 52.86 52.78 1x45 s ASN 90 Cb -0.03 -2.23 -0.04 0.00 -1.54 0.00 0.00 41.25 37.42 1x45 s ASN 90 CO 0.00 -0.37 0.05 -0.63 -3.04 0.00 0.00 177.10 173.10 1x45 s ILE 91 N 2.17 4.45 -0.20 -5.21 -1.09 -0.73 0.82 121.20 121.41 1x45 s ILE 91 Ca 0.15 -0.55 -0.04 0.00 -2.23 0.00 0.00 60.65 57.98 1x45 s ILE 91 Cb -0.16 -3.03 0.09 0.00 -1.58 0.00 0.00 42.46 37.78 1x45 s ILE 91 CO 0.12 0.33 0.23 -0.69 -1.23 0.00 0.00 174.94 173.69 1x45 s VAL 92 N -1.18 -0.34 -0.35 2.92 1.01 0.10 -0.85 120.40 121.71 1x45 s VAL 92 Ca 0.22 -0.10 -0.37 0.00 0.00 0.00 0.00 61.98 61.73 1x45 s VAL 92 Cb -0.12 -0.68 -0.16 0.00 0.00 0.00 0.00 36.38 35.42 1x45 s VAL 92 CO 0.14 -0.19 1.24 -0.24 0.00 0.00 0.00 175.10 176.04 1x45 n SER 93 N 5.32 0.85 -3.52 3.32 2.88 -1.26 -2.39 113.62 118.81 1x45 n SER 93 Ca -0.05 0.96 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 1x45 n SER 93 Cb 0.50 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 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 2.97 -2.78 0.00 0.46 0.00 -1.24 -4.73 105.19 99.86 1x45 n GLY 94 Ca 0.24 -0.94 0.08 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.19 0.45 -0.74 1.61 -0.04 -1.26 -4.84 135.00 129.99 1x45 n PRO 95 Ca 0.00 0.02 -0.33 0.00 -0.04 0.00 0.00 63.50 63.15 1x45 n PRO 95 Cb 0.00 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.10 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 -1.03 -2.45 -3.70 3.54 7.64 -1.26 -5.02 113.62 111.33 1x45 n SER 96 Ca 0.11 0.03 -0.22 0.00 1.01 0.00 0.00 58.87 59.80 1x45 n SER 96 Cb 0.06 -1.00 -0.18 0.00 -1.01 0.00 0.00 64.21 62.08 1x45 n SER 96 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x45 s SER 97 N -1.82 1.56 0.00 6.43 0.15 -1.26 -5.14 113.70 113.63 1x45 s SER 97 Ca 0.55 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 57.07 1x45 s SER 97 Cb -0.14 -0.28 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 1x45 s SER 97 CO 0.67 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.47