#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d0g s SER 22 N 0.00 5.21 0.01 6.43 0.15 -1.26 -1.97 113.70 122.26 1d0g s SER 22 Ca 0.00 0.05 -0.30 0.00 0.70 0.00 0.00 55.95 56.41 1d0g s SER 22 Cb 0.00 -1.68 -0.08 0.00 -1.71 0.00 0.00 66.02 62.55 1d0g s SER 22 CO 0.00 0.27 1.86 -2.16 1.20 0.00 0.00 173.24 174.41 1d0g s PRO 23 N -0.25 4.16 -0.41 5.44 0.04 -1.26 -4.86 135.00 137.85 1d0g s PRO 23 Ca 0.06 2.47 -0.21 0.00 0.04 0.00 0.00 61.00 63.36 1d0g s PRO 23 Cb -0.12 -4.10 0.02 0.00 0.04 0.00 0.00 34.50 30.33 1d0g s PRO 23 CO 0.02 -0.92 0.68 -1.12 0.04 0.00 0.00 177.00 175.70 1d0g s SER 24 N 4.06 6.38 -1.47 6.66 0.01 0.93 -4.16 113.70 126.11 1d0g s SER 24 Ca 0.83 -0.11 -0.07 0.00 1.31 0.00 0.00 55.95 57.91 1d0g s SER 24 Cb -0.39 -2.34 0.03 0.00 0.21 0.00 0.00 66.02 63.52 1d0g s SER 24 CO 0.37 -0.75 0.73 -0.62 0.41 0.00 0.00 173.24 173.39 1d0g n GLU 25 N 6.30 -5.29 -0.85 12.44 -0.58 -1.26 -1.43 120.64 129.97 1d0g n GLU 25 Ca -0.00 0.79 0.00 0.00 -0.42 0.00 0.00 57.16 57.52 1d0g n GLU 25 Cb 0.48 -5.67 0.00 0.00 -0.57 0.00 0.00 31.44 25.68 1d0g n GLU 25 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1d0g n GLY 26 N -1.57 0.71 3.42 0.62 0.00 -1.26 -5.04 105.19 102.08 1d0g n GLY 26 Ca -0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 1d0g n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1d0g s LEU 27 N 0.00 2.45 0.04 0.99 1.43 -0.51 -4.71 118.68 118.37 1d0g s LEU 27 Ca 0.00 -1.21 0.07 0.00 -1.03 0.00 0.00 54.13 51.96 1d0g s LEU 27 Cb 0.00 -0.60 -0.02 0.00 0.03 0.00 0.00 46.19 45.60 1d0g s LEU 27 CO 0.00 -0.37 -0.20 0.00 0.23 0.00 0.00 176.35 176.01 1d0g s PRO 29 N -1.11 1.10 0.47 0.00 0.04 -1.26 -1.46 135.00 132.78 1d0g s PRO 29 Ca 0.07 1.52 -0.23 0.00 0.04 0.00 0.00 61.00 62.40 1d0g s PRO 29 Cb -0.09 -1.74 -0.09 0.00 0.04 0.00 0.00 34.50 32.63 1d0g s PRO 29 CO 0.01 -2.57 1.03 -2.30 0.04 0.00 0.00 177.00 173.22 1d0g n PRO 30 N -4.19 1.32 -0.52 0.56 -0.02 -1.26 -2.38 135.00 128.51 1d0g n PRO 30 Ca 0.12 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1d0g n PRO 30 Cb 0.52 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1d0g n PRO 30 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d0g n GLY 31 N 1.16 0.74 2.58 -1.23 0.00 -0.73 -4.92 105.19 102.80 1d0g n GLY 31 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 1d0g n GLY 31 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1d0g n HIS 32 N -2.51 -1.22 -3.56 1.61 8.25 -1.00 -0.55 115.22 116.23 1d0g n HIS 32 Ca 0.00 -1.80 -0.11 0.00 -0.26 0.00 0.00 57.72 55.55 1d0g n HIS 32 Cb 0.00 0.42 -0.03 0.00 1.12 0.00 0.00 29.99 31.50 1d0g n HIS 32 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1d0g s HIS 33 N -3.41 -0.33 0.23 4.41 -3.43 -0.47 -4.78 115.29 107.51 1d0g s HIS 33 Ca 0.22 0.05 -0.16 0.00 -0.80 0.00 0.00 55.06 54.37 1d0g s HIS 33 Cb -0.01 0.41 -0.08 0.00 -1.43 0.00 0.00 32.58 31.47 1d0g s HIS 33 CO 0.16 -0.80 0.67 -1.50 -2.00 0.00 0.00 174.74 171.27 1d0g s ILE 34 N -3.79 4.71 1.01 -5.38 2.07 -0.74 -0.65 121.20 118.43 1d0g s ILE 34 Ca 0.03 0.99 -0.12 0.00 -1.41 0.00 0.00 60.65 60.14 1d0g s ILE 34 Cb 0.00 -3.73 0.20 0.00 0.13 0.00 0.00 42.46 39.05 1d0g s ILE 34 CO -0.11 0.07 1.09 -0.94 -1.91 0.00 0.00 174.94 173.14 1d0g s SER 35 N -1.92 2.50 0.15 4.50 1.04 -0.28 -4.44 113.70 115.24 1d0g s SER 35 Ca 0.45 1.23 -0.24 0.00 0.48 0.00 0.00 55.95 57.87 1d0g s SER 35 Cb -0.14 -1.90 0.01 0.00 0.10 0.00 0.00 66.02 64.09 1d0g s SER 35 CO 0.20 -3.21 1.61 -0.33 0.98 0.00 0.00 173.24 172.48 1d0g h GLU 36 N -1.95 -0.32 0.00 4.02 4.39 -1.93 -2.18 114.58 116.62 1d0g h GLU 36 Ca -0.55 0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.09 1d0g h GLU 36 Cb 1.33 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 30.04 1d0g h GLU 36 CO 0.57 -0.21 -0.41 0.38 -1.16 0.00 0.00 179.01 178.18 1d0g h ASP 37 N -0.33 0.00 -0.41 1.42 2.03 -1.97 -3.47 116.42 113.68 1d0g h ASP 37 Ca 0.12 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.42 1d0g h ASP 37 Cb 0.52 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.02 1d0g h ASP 37 CO -0.41 0.41 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 1d0g n GLY 38 N 0.55 1.01 0.02 7.15 0.00 -0.82 -5.01 105.19 108.10 1d0g n GLY 38 Ca 0.00 -0.33 0.02 0.00 0.00 0.00 0.00 46.02 45.72 1d0g n GLY 38 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1d0g n ARG 39 N -0.32 0.99 -4.07 1.61 1.85 -1.26 -4.90 116.66 110.55 1d0g n ARG 39 Ca 0.00 -0.08 -0.11 0.00 -1.00 0.00 0.00 57.85 56.67 1d0g n ARG 39 Cb 0.23 -1.31 -0.11 0.00 -1.05 0.00 0.00 32.46 30.23 1d0g n ARG 39 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1d0g s ASP 40 N -3.83 0.73 -0.30 2.89 1.01 -1.26 -4.43 116.67 111.47 1d0g s ASP 40 Ca -0.05 -0.71 -0.11 0.00 0.71 0.00 0.00 52.55 52.40 1d0g s ASP 40 Cb 0.07 0.09 -0.02 0.00 1.01 0.00 0.00 42.92 44.06 1d0g s ASP 40 CO 0.52 -0.34 0.18 0.00 0.21 0.00 0.00 175.17 175.73 1d0g s ILE 42 N 1.69 5.41 0.32 0.00 1.01 0.18 -4.01 121.20 125.79 1d0g s ILE 42 Ca 0.06 0.20 -0.29 0.00 0.00 0.00 0.00 60.65 60.62 1d0g s ILE 42 Cb -0.17 -3.48 -0.11 0.00 0.01 0.00 0.00 42.46 38.72 1d0g s ILE 42 CO 0.08 0.44 1.47 -0.55 0.00 0.00 0.00 174.94 176.38 1d0g s SER 43 N 0.37 6.49 0.81 3.58 0.15 -1.26 -1.37 113.70 122.48 1d0g s SER 43 Ca 0.08 2.88 -0.11 0.00 0.70 0.00 0.00 55.95 59.51 1d0g s SER 43 Cb -0.11 -2.65 0.08 0.00 -1.71 0.00 0.00 66.02 61.63 1d0g s SER 43 CO -0.02 -0.79 1.09 0.00 1.20 0.00 0.00 173.24 174.73 1d0g s LYS 45 N -4.89 3.83 0.22 0.00 -2.85 -1.26 -4.94 119.74 109.84 1d0g s LYS 45 Ca 0.62 -0.21 -0.31 0.00 -1.00 0.00 0.00 55.97 55.07 1d0g s LYS 45 Cb -0.18 -3.71 -0.15 0.00 -2.06 0.00 0.00 37.83 31.73 1d0g s LYS 45 CO 0.56 -0.35 1.20 0.98 0.10 0.00 0.00 175.35 177.84 1d0g n TYR 46 N 5.30 1.55 0.00 1.78 4.19 -1.26 -1.67 117.16 127.05 1d0g n TYR 46 Ca -0.10 0.62 0.00 0.00 3.31 0.00 0.00 57.90 61.73 1d0g n TYR 46 Cb 0.50 -2.32 0.00 0.00 0.49 0.00 0.00 39.34 38.01 1d0g n TYR 46 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1d0g n GLY 47 N 1.84 2.61 0.96 2.98 0.00 -1.23 -4.79 105.19 107.56 1d0g n GLY 47 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 1d0g n GLY 47 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1d0g n GLN 48 N -2.00 0.04 -4.30 1.61 6.02 -0.67 -4.91 117.38 113.17 1d0g n GLN 48 Ca 0.00 0.02 -0.16 0.00 -0.01 0.00 0.00 57.00 56.85 1d0g n GLN 48 Cb 0.00 -0.57 -0.10 0.00 1.02 0.00 0.00 30.24 30.59 1d0g n GLN 48 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1d0g s ASP 49 N -5.62 1.27 0.36 1.08 1.47 -0.70 -1.16 116.67 113.37 1d0g s ASP 49 Ca -0.03 -1.32 -0.14 0.00 1.18 0.00 0.00 52.55 52.24 1d0g s ASP 49 Cb 0.01 0.14 0.04 0.00 -0.34 0.00 0.00 42.92 42.76 1d0g s ASP 49 CO 0.03 -0.67 0.73 -0.72 0.68 0.00 0.00 175.17 175.22 1d0g s TYR 50 N -3.70 0.23 -0.27 2.11 1.13 0.38 -4.18 117.35 113.05 1d0g s TYR 50 Ca 0.34 -0.81 -0.22 0.00 -1.41 0.00 0.00 57.07 54.96 1d0g s TYR 50 Cb 0.07 0.67 0.08 0.00 -1.10 0.00 0.00 41.96 41.69 1d0g s TYR 50 CO 0.11 -1.46 0.75 -1.54 -2.51 0.00 0.00 175.55 170.91 1d0g s SER 51 N -3.08 -0.77 0.00 -0.18 1.04 -0.47 -0.55 113.70 109.69 1d0g s SER 51 Ca 0.17 1.38 0.09 0.00 0.48 0.00 0.00 55.95 58.08 1d0g s SER 51 Cb -0.04 1.38 0.05 0.00 0.10 0.00 0.00 66.02 67.50 1d0g s SER 51 CO 0.12 -0.23 0.73 0.35 0.98 0.00 0.00 173.24 175.19 1d0g n THR 52 N 3.14 0.00 -4.18 2.02 -2.24 -1.25 -1.77 114.28 109.99 1d0g n THR 52 Ca -0.16 -0.47 -0.11 0.00 -2.27 0.00 0.00 64.05 61.04 1d0g n THR 52 Cb 0.56 1.16 -0.10 0.00 -2.10 0.00 0.00 70.33 69.86 1d0g n THR 52 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1d0g s HIS 53 N -0.93 0.99 0.27 4.78 3.76 -1.26 -4.78 115.29 118.12 1d0g s HIS 53 Ca 0.10 -1.16 -0.30 0.00 -0.15 0.00 0.00 55.06 53.54 1d0g s HIS 53 Cb 0.08 -0.56 -0.11 0.00 1.11 0.00 0.00 32.58 33.09 1d0g s HIS 53 CO 0.15 -0.41 1.60 -1.58 -0.85 0.00 0.00 174.74 173.65 1d0g s TRP 54 N -3.91 2.82 0.34 1.40 0.52 -1.26 -4.03 118.94 114.82 1d0g s TRP 54 Ca 0.24 0.73 -0.02 0.00 0.02 0.00 0.00 56.10 57.07 1d0g s TRP 54 Cb 0.07 -4.05 0.01 0.00 -1.15 0.00 0.00 33.47 28.35 1d0g s TRP 54 CO 0.03 -3.60 0.48 0.27 0.02 0.00 0.00 176.95 174.14 1d0g n ASN 55 N 2.56 -1.34 0.00 2.95 0.23 -0.54 -4.88 115.26 114.24 1d0g n ASN 55 Ca 0.09 -2.80 0.00 0.00 -0.53 0.00 0.00 54.58 51.35 1d0g n ASN 55 Cb 0.37 2.49 0.00 0.00 -2.08 0.00 0.00 39.78 40.56 1d0g n ASN 55 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1d0g n ASP 56 N -1.64 1.42 -4.57 0.53 5.68 -1.26 -1.05 116.55 115.66 1d0g n ASP 56 Ca 0.00 -1.63 -0.46 0.00 -0.50 0.00 0.00 54.79 52.20 1d0g n ASP 56 Cb 0.56 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.52 1d0g n ASP 56 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1d0g n LEU 57 N -0.31 1.40 -0.06 -2.12 4.77 -1.26 -4.50 117.00 114.91 1d0g n LEU 57 Ca 0.00 1.16 0.12 0.00 -0.03 0.00 0.00 56.01 57.27 1d0g n LEU 57 Cb 0.25 -1.23 0.31 0.00 -2.33 0.00 0.00 43.42 40.42 1d0g n LEU 57 CO 0.00 -1.52 0.54 0.18 -1.33 0.00 0.00 177.39 175.26 1d0g n LEU 58 N 1.58 0.60 -4.01 2.23 4.32 -1.26 -1.78 117.00 118.68 1d0g n LEU 58 Ca 0.12 -0.04 -0.08 0.00 -0.02 0.00 0.00 56.01 55.99 1d0g n LEU 58 Cb 0.29 -0.23 -0.10 0.00 -1.62 0.00 0.00 43.42 41.75 1d0g n LEU 58 CO 0.60 0.13 -0.34 -0.36 -1.22 0.00 0.00 177.39 176.20 1d0g s PHE 59 N -2.86 0.34 0.23 -1.77 0.08 -1.26 -4.84 117.98 107.90 1d0g s PHE 59 Ca 0.15 -0.71 -0.08 0.00 0.12 0.00 0.00 56.93 56.40 1d0g s PHE 59 Cb 0.18 -0.25 -0.07 0.00 -0.57 0.00 0.00 43.02 42.31 1d0g s PHE 59 CO 0.64 -0.28 0.53 0.00 -0.10 0.00 0.00 175.22 176.02 1d0g s LEU 61 N -2.91 4.15 0.08 0.00 1.43 0.28 -4.65 118.68 117.06 1d0g s LEU 61 Ca 0.46 2.32 -0.29 0.00 -1.03 0.00 0.00 54.13 55.60 1d0g s LEU 61 Cb -0.11 -4.08 -0.06 0.00 0.03 0.00 0.00 46.19 41.97 1d0g s LEU 61 CO 0.23 -0.72 0.90 -0.13 0.23 0.00 0.00 176.35 176.87 1d0g s ARG 62 N -2.40 4.63 0.27 1.70 0.52 -1.26 -0.47 118.95 121.94 1d0g s ARG 62 Ca 0.59 1.34 -0.31 0.00 -0.52 0.00 0.00 55.73 56.82 1d0g s ARG 62 Cb -0.30 -3.38 -0.12 0.00 0.52 0.00 0.00 34.95 31.68 1d0g s ARG 62 CO 0.37 0.22 1.63 0.00 0.02 0.00 0.00 175.30 177.54 1d0g s THR 64 N 0.37 3.00 -0.21 0.00 2.01 -1.26 -5.00 115.64 114.56 1d0g s THR 64 Ca 0.68 0.60 0.00 0.00 0.31 0.00 0.00 61.69 63.27 1d0g s THR 64 Cb -0.50 -3.21 0.02 0.00 0.01 0.00 0.00 72.50 68.82 1d0g s THR 64 CO 0.43 -0.16 -0.14 -0.60 -0.69 0.00 0.00 174.62 173.46 1d0g s ARG 65 N -3.43 2.93 0.54 4.92 3.52 -1.26 -4.70 118.95 121.47 1d0g s ARG 65 Ca 0.73 -0.89 -0.21 0.00 -0.13 0.00 0.00 55.73 55.23 1d0g s ARG 65 Cb -0.25 -2.74 -0.06 0.00 -1.56 0.00 0.00 34.95 30.34 1d0g s ARG 65 CO 0.31 -0.28 1.22 0.00 -0.81 0.00 0.00 175.30 175.74 1d0g n ASP 67 N -0.72 0.69 -0.28 0.00 5.68 -1.26 -4.97 116.55 115.68 1d0g n ASP 67 Ca 0.11 -1.62 0.05 0.00 -0.50 0.00 0.00 54.79 52.83 1d0g n ASP 67 Cb 0.44 -0.43 0.19 0.00 -1.14 0.00 0.00 41.12 40.18 1d0g n ASP 67 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1d0g h SER 68 N -0.49 0.51 -0.38 -1.12 4.64 -2.03 -2.56 113.55 112.12 1d0g h SER 68 Ca -0.21 0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 61.14 1d0g h SER 68 Cb 0.74 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.80 1d0g h SER 68 CO 0.21 0.25 0.06 0.61 -0.87 0.00 0.00 176.83 177.08 1d0g n GLY 69 N -1.32 2.56 3.41 -0.77 0.00 -1.26 -4.91 105.19 102.91 1d0g n GLY 69 Ca 0.15 -0.57 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 1d0g n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1d0g s GLU 70 N -2.05 1.51 0.08 1.61 2.02 -0.97 -1.25 118.70 119.65 1d0g s GLU 70 Ca 0.33 -1.75 0.09 0.00 0.02 0.00 0.00 54.97 53.66 1d0g s GLU 70 Cb 0.26 -1.11 -0.03 0.00 0.10 0.00 0.00 34.13 33.35 1d0g s GLU 70 CO 0.09 0.04 -0.23 0.14 0.02 0.00 0.00 175.26 175.32 1d0g s VAL 71 N -3.04 1.93 -0.34 2.63 -7.23 0.97 -4.76 120.40 110.56 1d0g s VAL 71 Ca 0.29 -1.48 -0.29 0.00 -1.81 0.00 0.00 61.98 58.68 1d0g s VAL 71 Cb 0.03 -1.70 0.02 0.00 0.56 0.00 0.00 36.38 35.29 1d0g s VAL 71 CO 0.11 0.13 1.06 -0.70 -0.31 0.00 0.00 175.10 175.39 1d0g s GLU 72 N -1.64 4.02 0.15 4.82 2.12 -1.26 -1.11 118.70 125.80 1d0g s GLU 72 Ca 0.10 0.98 0.05 0.00 0.36 0.00 0.00 54.97 56.46 1d0g s GLU 72 Cb -0.10 -3.76 -0.07 0.00 0.26 0.00 0.00 34.13 30.47 1d0g s GLU 72 CO 0.04 -0.94 1.35 1.25 -0.54 0.00 0.00 175.26 176.42 1d0g h LEU 73 N 10.16 0.11 -6.90 2.70 5.85 -1.07 -3.46 115.31 122.70 1d0g h LEU 73 Ca -0.21 -0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.50 1d0g h LEU 73 Cb 1.06 -0.03 -0.22 0.00 0.37 0.00 0.00 40.66 41.84 1d0g h LEU 73 CO 1.03 0.97 0.04 -0.94 -0.34 0.00 0.00 178.44 179.20 1d0g s SER 74 N -6.83 -0.91 0.91 1.25 1.04 -1.17 -4.97 113.70 103.01 1d0g s SER 74 Ca -0.01 1.32 -0.10 0.00 0.48 0.00 0.00 55.95 57.64 1d0g s SER 74 Cb 0.10 1.82 0.14 0.00 0.10 0.00 0.00 66.02 68.18 1d0g s SER 74 CO 0.82 -0.19 1.14 -2.16 0.98 0.00 0.00 173.24 173.83 1d0g s PRO 75 N 2.31 1.08 0.01 4.02 0.04 -1.26 -1.37 135.00 139.82 1d0g s PRO 75 Ca -0.07 1.51 -0.30 0.00 0.04 0.00 0.00 61.00 62.19 1d0g s PRO 75 Cb -0.08 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 1d0g s PRO 75 CO -0.18 -2.58 1.17 0.00 0.04 0.00 0.00 177.00 175.45 1d0g s THR 77 N 1.48 2.25 -1.28 0.00 -4.23 0.53 -3.50 115.64 110.88 1d0g s THR 77 Ca 0.57 -1.74 0.07 0.00 -1.18 0.00 0.00 61.69 59.40 1d0g s THR 77 Cb -0.27 -2.99 0.10 0.00 1.34 0.00 0.00 72.50 70.68 1d0g s THR 77 CO 0.26 0.00 1.12 0.35 -0.54 0.00 0.00 174.62 175.81 1d0g n THR 78 N -1.20 1.12 0.00 3.99 -2.24 -1.26 -2.93 114.28 111.75 1d0g n THR 78 Ca -0.02 0.28 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 1d0g n THR 78 Cb 0.65 -1.17 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 1d0g n THR 78 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1d0g n THR 79 N -1.36 0.00 -4.26 4.28 -2.24 -1.26 -1.37 114.28 108.08 1d0g n THR 79 Ca 0.03 -0.08 -0.18 0.00 -2.27 0.00 0.00 64.05 61.54 1d0g n THR 79 Cb 0.06 0.55 -0.15 0.00 -2.10 0.00 0.00 70.33 68.69 1d0g n THR 79 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1d0g s ARG 80 N -1.70 0.71 0.52 -0.78 3.52 -1.15 -3.96 118.95 116.12 1d0g s ARG 80 Ca 0.00 -0.22 -0.17 0.00 -0.13 0.00 0.00 55.73 55.21 1d0g s ARG 80 Cb 0.00 -0.69 -0.07 0.00 -1.56 0.00 0.00 34.95 32.63 1d0g s ARG 80 CO 0.00 0.08 1.01 1.21 -0.81 0.00 0.00 175.30 176.79 1d0g s ASN 81 N 0.20 6.39 0.56 -2.12 2.47 -1.26 -0.34 114.94 120.84 1d0g s ASN 81 Ca -0.03 1.70 -0.19 0.00 0.42 0.00 0.00 52.86 54.77 1d0g s ASN 81 Cb -0.07 -2.53 -0.08 0.00 -1.45 0.00 0.00 41.25 37.12 1d0g s ASN 81 CO 0.00 -0.75 0.66 0.41 -3.72 0.00 0.00 177.10 173.70 1d0g n THR 82 N -1.51 2.63 -4.13 -5.21 -1.04 -1.26 -4.70 114.28 99.06 1d0g n THR 82 Ca 0.08 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.25 1d0g n THR 82 Cb 0.53 -0.81 -0.15 0.00 -1.82 0.00 0.00 70.33 68.08 1d0g n THR 82 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1d0g s VAL 83 N -1.64 2.68 0.13 12.58 1.01 -0.47 -4.85 120.40 129.85 1d0g s VAL 83 Ca 0.70 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 62.00 1d0g s VAL 83 Cb -0.45 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1d0g s VAL 83 CO 0.53 0.49 0.03 0.00 0.00 0.00 0.00 175.10 176.15 1d0g s GLN 85 N -2.67 0.08 0.68 0.00 0.74 -0.27 -4.85 119.66 113.38 1d0g s GLN 85 Ca 0.27 0.11 -0.17 0.00 0.05 0.00 0.00 55.36 55.63 1d0g s GLN 85 Cb -0.11 0.04 0.01 0.00 1.10 0.00 0.00 33.01 34.05 1d0g s GLN 85 CO 0.20 -0.01 1.25 0.00 -0.55 0.00 0.00 175.29 176.17 1d0g s GLU 87 N -3.61 2.97 0.14 0.00 2.12 -0.38 -4.65 118.70 115.29 1d0g s GLU 87 Ca 0.79 1.24 -0.35 0.00 0.36 0.00 0.00 54.97 57.02 1d0g s GLU 87 Cb -0.33 -1.98 -0.15 0.00 0.26 0.00 0.00 34.13 31.93 1d0g s GLU 87 CO 0.42 -1.10 1.51 -1.91 -0.54 0.00 0.00 175.26 173.65 1d0g n GLU 88 N -2.45 1.89 0.00 4.30 2.13 -1.26 -1.46 120.64 123.79 1d0g n GLU 88 Ca 0.09 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.60 1d0g n GLU 88 Cb 0.53 -2.42 0.00 0.00 0.27 0.00 0.00 31.44 29.82 1d0g n GLU 88 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1d0g n GLY 89 N 3.17 1.13 3.41 8.31 0.00 -1.26 -5.05 105.19 114.90 1d0g n GLY 89 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 1d0g n GLY 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1d0g s THR 90 N -2.29 2.18 0.06 2.61 -4.23 -0.53 -1.83 115.64 111.61 1d0g s THR 90 Ca 0.00 -2.18 -0.03 0.00 -1.18 0.00 0.00 61.69 58.30 1d0g s THR 90 Cb 0.00 -2.12 -0.03 0.00 1.34 0.00 0.00 72.50 71.69 1d0g s THR 90 CO 0.00 -0.35 0.02 0.72 -0.54 0.00 0.00 174.62 174.47 1d0g s PHE 91 N -2.29 0.43 0.07 3.99 -0.71 0.29 -4.03 117.98 115.73 1d0g s PHE 91 Ca 0.23 -0.95 0.07 0.00 -1.04 0.00 0.00 56.93 55.24 1d0g s PHE 91 Cb -0.05 -0.31 -0.03 0.00 -1.21 0.00 0.00 43.02 41.42 1d0g s PHE 91 CO 0.11 -0.41 -0.19 0.50 -1.34 0.00 0.00 175.22 173.88 1d0g s ARG 92 N -3.88 1.12 0.17 1.99 3.52 -0.40 -0.40 118.95 121.07 1d0g s ARG 92 Ca 0.06 -1.00 -0.07 0.00 -0.13 0.00 0.00 55.73 54.60 1d0g s ARG 92 Cb 0.07 -1.26 -0.02 0.00 -1.56 0.00 0.00 34.95 32.18 1d0g s ARG 92 CO -0.10 0.30 0.23 -2.00 -0.81 0.00 0.00 175.30 172.93 1d0g s GLU 93 N -1.53 1.15 0.33 5.12 -6.30 -1.19 -3.97 118.70 112.31 1d0g s GLU 93 Ca 0.05 -1.30 0.12 0.00 -2.50 0.00 0.00 54.97 51.34 1d0g s GLU 93 Cb -0.09 0.34 1.03 0.00 0.00 0.00 0.00 34.13 35.41 1d0g s GLU 93 CO 0.03 -0.41 1.64 1.05 0.02 0.00 0.00 175.26 177.59 1d0g h GLU 94 N 2.59 0.21 -0.29 4.30 4.11 -2.02 0.45 114.58 123.94 1d0g h GLU 94 Ca -0.32 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.09 1d0g h GLU 94 Cb 1.23 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1d0g h GLU 94 CO 0.50 0.14 0.00 -0.25 0.07 0.00 0.00 179.01 179.46 1d0g n ASP 95 N -5.17 2.27 -3.16 3.06 8.00 -1.26 -4.42 116.55 115.88 1d0g n ASP 95 Ca 0.30 -1.85 -0.19 0.00 0.71 0.00 0.00 54.79 53.76 1d0g n ASP 95 Cb 0.96 -0.19 -0.04 0.00 -0.02 0.00 0.00 41.12 41.84 1d0g n ASP 95 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1d0g n SER 96 N 0.72 0.34 -0.58 -2.24 3.41 0.16 -4.93 113.62 110.51 1d0g n SER 96 Ca 0.17 -2.94 0.13 0.00 -0.26 0.00 0.00 58.87 55.96 1d0g n SER 96 Cb 0.41 -0.44 0.42 0.00 -0.26 0.00 0.00 64.21 64.35 1d0g n SER 96 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1d0g n PRO 97 N 0.72 1.78 -0.03 4.33 -0.05 -1.14 -3.15 135.00 137.46 1d0g n PRO 97 Ca 0.22 -1.16 -0.14 0.00 -0.05 0.00 0.00 63.50 62.38 1d0g n PRO 97 Cb 0.62 -1.45 -0.14 0.00 -0.05 0.00 0.00 33.50 32.47 1d0g n PRO 97 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 1d0g n GLU 98 N 0.39 0.69 -3.76 0.54 -0.58 -1.26 -4.96 120.64 111.70 1d0g n GLU 98 Ca 0.18 0.23 -0.13 0.00 -0.42 0.00 0.00 57.16 57.02 1d0g n GLU 98 Cb 0.38 -1.70 -0.13 0.00 -0.57 0.00 0.00 31.44 29.42 1d0g n GLU 98 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1d0g s MET 99 N -2.56 0.19 0.33 3.49 1.75 -1.26 -5.13 119.30 116.12 1d0g s MET 99 Ca -0.14 0.41 -0.29 0.00 -1.25 0.00 0.00 55.69 54.41 1d0g s MET 99 Cb 0.07 -0.05 -0.11 0.00 2.84 0.00 0.00 34.83 37.59 1d0g s MET 99 CO 0.78 -0.11 1.48 0.00 -0.65 0.00 0.00 175.02 176.52 1d0g s ARG 101 N -1.40 2.22 0.01 0.00 0.52 0.46 -4.84 118.95 115.92 1d0g s ARG 101 Ca 0.56 -1.06 -0.30 0.00 -0.52 0.00 0.00 55.73 54.40 1d0g s ARG 101 Cb -0.45 -2.32 -0.04 0.00 0.52 0.00 0.00 34.95 32.66 1d0g s ARG 101 CO 0.55 0.49 1.12 0.15 0.02 0.00 0.00 175.30 177.63 1d0g s LYS 102 N -2.48 4.46 0.58 3.54 1.02 -1.26 -0.55 119.74 125.05 1d0g s LYS 102 Ca 0.24 1.62 -0.18 0.00 0.02 0.00 0.00 55.97 57.66 1d0g s LYS 102 Cb -0.10 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 33.73 1d0g s LYS 102 CO 0.15 -0.23 1.16 0.00 -0.92 0.00 0.00 175.35 175.51 1d0g s ARG 104 N -3.43 3.86 0.27 0.00 0.52 -1.26 -4.94 118.95 113.98 1d0g s ARG 104 Ca 0.74 1.78 0.23 0.00 -0.52 0.00 0.00 55.73 57.96 1d0g s ARG 104 Cb -0.26 -2.49 0.22 0.00 0.52 0.00 0.00 34.95 32.94 1d0g s ARG 104 CO 0.32 -0.47 1.32 1.79 0.02 0.00 0.00 175.30 178.28 1d0g h THR 105 N 2.02 0.00 -3.14 0.02 1.35 -1.99 -3.44 112.91 107.72 1d0g h THR 105 Ca -0.49 -0.89 -0.02 0.00 -0.55 0.00 0.00 66.41 64.46 1d0g h THR 105 Cb 1.24 1.60 -0.12 0.00 -1.73 0.00 0.00 68.15 69.15 1d0g h THR 105 CO 0.61 0.00 0.11 -0.83 -0.25 0.00 0.00 175.52 175.16 1d0g s GLY 106 N -4.16 -0.43 0.45 5.82 0.00 -1.26 -5.16 107.32 102.58 1d0g s GLY 106 Ca 0.04 0.21 -0.21 0.00 0.00 0.00 0.00 44.72 44.76 1d0g s GLY 106 CO 0.73 -0.03 0.98 0.00 0.00 0.00 0.00 173.10 174.77 1d0g n PRO 108 N -0.77 -2.74 -1.67 0.00 -0.02 -1.26 -4.82 135.00 123.72 1d0g n PRO 108 Ca 0.08 -0.80 -0.46 0.00 -2.02 0.00 0.00 63.50 60.29 1d0g n PRO 108 Cb 0.54 -1.70 -0.04 0.00 -0.02 0.00 0.00 33.50 32.27 1d0g n PRO 108 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1d0g n ARG 109 N -3.08 2.12 -3.97 -0.52 0.63 -1.26 -2.82 116.66 107.76 1d0g n ARG 109 Ca 0.06 0.77 -0.26 0.00 -0.92 0.00 0.00 57.85 57.49 1d0g n ARG 109 Cb 0.50 -2.53 -0.02 0.00 0.45 0.00 0.00 32.46 30.85 1d0g n ARG 109 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1d0g n GLY 110 N 3.43 -0.27 3.25 5.14 0.00 -1.26 -4.98 105.19 110.50 1d0g n GLY 110 Ca 0.17 0.17 -0.14 0.00 0.00 0.00 0.00 46.02 46.22 1d0g n GLY 110 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1d0g s MET 111 N -6.60 1.06 0.08 1.61 -1.94 -1.13 -4.76 119.30 107.62 1d0g s MET 111 Ca 0.04 -1.45 0.07 0.00 -1.71 0.00 0.00 55.69 52.64 1d0g s MET 111 Cb -0.02 -0.63 -0.04 0.00 2.01 0.00 0.00 34.83 36.16 1d0g s MET 111 CO 0.90 0.08 -0.15 0.54 -0.01 0.00 0.00 175.02 176.37 1d0g s VAL 112 N -3.31 3.01 -0.14 -6.03 0.11 -0.48 -4.83 120.40 108.73 1d0g s VAL 112 Ca 0.17 -1.27 -0.25 0.00 -2.93 0.00 0.00 61.98 57.70 1d0g s VAL 112 Cb 0.02 -2.34 -0.02 0.00 -1.53 0.00 0.00 36.38 32.51 1d0g s VAL 112 CO 0.01 0.22 0.81 -0.75 -3.33 0.00 0.00 175.10 172.06 1d0g s LYS 113 N -1.83 4.34 0.00 1.54 2.20 -1.26 -0.58 119.74 124.14 1d0g s LYS 113 Ca 0.17 1.01 0.00 0.00 -0.36 0.00 0.00 55.97 56.79 1d0g s LYS 113 Cb -0.11 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.67 1d0g s LYS 113 CO 0.09 -0.23 0.66 1.33 -0.36 0.00 0.00 175.35 176.83 1d0g n VAL 114 N 4.50 0.39 -3.65 4.02 0.24 -0.15 -4.97 118.33 118.70 1d0g n VAL 114 Ca 0.03 -0.63 -0.09 0.00 -2.04 0.00 0.00 64.34 61.61 1d0g n VAL 114 Cb 0.49 0.88 -0.08 0.00 -1.47 0.00 0.00 33.84 33.67 1d0g n VAL 114 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1d0g s GLY 115 N -0.39 -0.57 0.64 7.63 0.00 -1.13 -4.91 107.32 108.60 1d0g s GLY 115 Ca 0.00 2.20 -0.08 0.00 0.00 0.00 0.00 44.72 46.85 1d0g s GLY 115 CO 0.00 2.14 0.97 0.99 0.00 0.00 0.00 173.10 177.20 1d0g s ASP 116 N 1.29 5.43 0.11 1.64 1.01 -1.26 -0.60 116.67 124.30 1d0g s ASP 116 Ca -0.07 0.79 -0.31 0.00 0.71 0.00 0.00 52.55 53.67 1d0g s ASP 116 Cb -0.05 -1.68 -0.07 0.00 1.01 0.00 0.00 42.92 42.13 1d0g s ASP 116 CO -0.14 -1.22 1.25 0.00 0.21 0.00 0.00 175.17 175.27 1d0g s THR 118 N 0.76 0.22 -1.87 0.00 -4.23 -0.56 -4.93 115.64 105.03 1d0g s THR 118 Ca 0.59 -1.97 0.11 0.00 -1.18 0.00 0.00 61.69 59.24 1d0g s THR 118 Cb -0.32 -2.31 0.30 0.00 1.34 0.00 0.00 72.50 71.50 1d0g s THR 118 CO 0.32 -0.23 1.15 -0.81 -0.54 0.00 0.00 174.62 174.51 1d0g n PRO 119 N -0.24 0.31 0.00 3.99 -0.04 -1.26 -2.14 135.00 135.63 1d0g n PRO 119 Ca -0.02 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1d0g n PRO 119 Cb 0.65 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 1d0g n PRO 119 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1d0g n TRP 120 N -1.07 0.00 -3.52 0.54 8.01 -1.26 -1.28 117.44 118.86 1d0g n TRP 120 Ca 0.08 -0.14 -0.12 0.00 -1.31 0.00 0.00 57.50 56.01 1d0g n TRP 120 Cb 0.05 -0.01 -0.04 0.00 -2.01 0.00 0.00 31.31 29.29 1d0g n TRP 120 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 1d0g s SER 121 N -0.27 -0.48 0.85 -0.99 1.04 -0.91 -4.65 113.70 108.29 1d0g s SER 121 Ca 0.00 0.35 -0.11 0.00 0.48 0.00 0.00 55.95 56.67 1d0g s SER 121 Cb 0.00 0.43 0.14 0.00 0.10 0.00 0.00 66.02 66.70 1d0g s SER 121 CO 0.00 -0.57 1.19 -0.62 0.98 0.00 0.00 173.24 174.22 1d0g s ASP 122 N -1.68 3.84 0.60 7.02 2.15 -1.26 -1.50 116.67 125.84 1d0g s ASP 122 Ca -0.03 0.27 -0.18 0.00 0.43 0.00 0.00 52.55 53.05 1d0g s ASP 122 Cb -0.01 -0.55 -0.03 0.00 -0.30 0.00 0.00 42.92 42.03 1d0g s ASP 122 CO -0.00 -2.26 1.15 0.27 -0.17 0.00 0.00 175.17 174.16 1d0g s ILE 123 N -3.60 3.00 -0.15 4.11 -4.36 -1.26 -4.49 121.20 114.44 1d0g s ILE 123 Ca 0.68 0.57 -0.02 0.00 -0.26 0.00 0.00 60.65 61.63 1d0g s ILE 123 Cb -0.06 -3.17 -0.01 0.00 1.25 0.00 0.00 42.46 40.46 1d0g s ILE 123 CO 0.49 -0.18 -0.10 -0.70 0.24 0.00 0.00 174.94 174.69 1d0g s GLU 124 N -3.53 3.42 -0.03 0.37 2.12 0.23 -4.97 118.70 116.32 1d0g s GLU 124 Ca 0.73 -0.65 0.06 0.00 0.36 0.00 0.00 54.97 55.46 1d0g s GLU 124 Cb -0.25 -2.76 -0.02 0.00 0.26 0.00 0.00 34.13 31.36 1d0g s GLU 124 CO 0.33 0.12 -0.19 0.00 -0.54 0.00 0.00 175.26 174.98 1d0g s VAL 126 N -0.71 0.80 0.41 0.00 0.11 0.25 -4.91 120.40 116.34 1d0g s VAL 126 Ca 0.11 -2.00 0.08 0.00 -2.93 0.00 0.00 61.98 57.24 1d0g s VAL 126 Cb -0.10 -2.39 -0.02 0.00 -1.53 0.00 0.00 36.38 32.33 1d0g s VAL 126 CO 0.01 0.00 0.35 -1.00 -3.33 0.00 0.00 175.10 171.13 1d0g s HIS 127 N -3.16 2.72 -2.55 1.54 3.76 -1.26 -1.39 115.29 114.95 1d0g s HIS 127 Ca 0.23 -0.48 0.28 0.00 -0.15 0.00 0.00 55.06 54.93 1d0g s HIS 127 Cb 0.03 -2.12 0.96 0.00 1.11 0.00 0.00 32.58 32.56 1d0g s HIS 127 CO 0.13 -0.07 1.69 1.63 -0.85 0.00 0.00 174.74 177.27