#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cb4 n THR 2 N 0.00 0.00 -4.19 0.00 -2.24 -1.26 -4.54 114.28 102.05 1cb4 n THR 2 Ca 0.00 -0.15 -0.17 0.00 -2.27 0.00 0.00 64.05 61.46 1cb4 n THR 2 Cb 0.00 1.00 -0.12 0.00 -2.10 0.00 0.00 70.33 69.11 1cb4 n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1cb4 s LYS 3 N -2.41 0.74 0.22 -0.78 1.02 -1.26 -1.18 119.74 116.09 1cb4 s LYS 3 Ca 0.06 -0.79 -0.13 0.00 0.02 0.00 0.00 55.97 55.13 1cb4 s LYS 3 Cb 0.11 -0.68 0.00 0.00 -0.52 0.00 0.00 37.83 36.75 1cb4 s LYS 3 CO 0.61 0.15 0.45 0.00 -0.92 0.00 0.00 175.35 175.64 1cb4 s ALA 4 N -1.10 -0.34 0.02 5.17 0.00 -0.93 -2.21 121.76 122.36 1cb4 s ALA 4 Ca -0.03 -0.73 -0.21 0.00 0.00 0.00 0.00 51.96 50.99 1cb4 s ALA 4 Cb -0.09 0.97 0.04 0.00 0.00 0.00 0.00 23.12 24.05 1cb4 s ALA 4 CO 0.01 -0.80 0.47 0.54 0.00 0.00 0.00 175.76 175.99 1cb4 s VAL 5 N -3.97 0.04 -0.07 0.00 0.11 -0.66 -1.42 120.40 114.42 1cb4 s VAL 5 Ca 0.18 -0.32 -0.04 0.00 -2.93 0.00 0.00 61.98 58.88 1cb4 s VAL 5 Cb 0.00 -0.91 0.04 0.00 -1.53 0.00 0.00 36.38 33.97 1cb4 s VAL 5 CO 0.04 -0.17 0.17 0.00 -3.33 0.00 0.00 175.10 171.81 1cb4 s VAL 7 N 0.99 4.35 -0.09 0.00 1.01 -1.26 -1.18 120.40 124.22 1cb4 s VAL 7 Ca -0.08 -0.16 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 1cb4 s VAL 7 Cb -0.09 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 1cb4 s VAL 7 CO -0.05 0.34 0.44 -0.76 0.00 0.00 0.00 175.10 175.06 1cb4 s LEU 8 N 1.60 4.32 0.04 3.92 1.43 0.33 -4.01 118.68 126.32 1cb4 s LEU 8 Ca 0.06 0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 53.87 1cb4 s LEU 8 Cb -0.15 -2.63 0.01 0.00 0.03 0.00 0.00 46.19 43.45 1cb4 s LEU 8 CO 0.04 0.10 0.23 -0.54 0.23 0.00 0.00 176.35 176.40 1cb4 s LYS 9 N 0.16 0.72 0.00 1.70 1.02 -0.76 -2.35 119.74 120.23 1cb4 s LYS 9 Ca 0.24 -0.58 0.00 0.00 0.02 0.00 0.00 55.97 55.65 1cb4 s LYS 9 Cb -0.15 0.30 0.00 0.00 -0.52 0.00 0.00 37.83 37.46 1cb4 s LYS 9 CO 0.10 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 174.73 1cb4 n GLY 10 N 0.70 3.07 0.18 -3.33 0.00 -1.25 -1.23 105.19 103.33 1cb4 n GLY 10 Ca -0.19 -1.09 0.13 0.00 0.00 0.00 0.00 46.02 44.87 1cb4 n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1cb4 h ASP 11 N 0.00 0.00 0.00 1.61 3.32 -1.92 -3.46 116.42 115.96 1cb4 h ASP 11 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1cb4 h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1cb4 h ASP 11 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 1cb4 n GLY 12 N 0.89 4.06 0.23 2.75 0.00 -1.26 -5.04 105.19 106.82 1cb4 n GLY 12 Ca 0.04 -1.77 0.14 0.00 0.00 0.00 0.00 46.02 44.42 1cb4 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1cb4 n PRO 13 N 0.00 0.93 -2.33 1.61 -0.04 -1.26 -4.89 135.00 129.01 1cb4 n PRO 13 Ca 0.00 -0.47 -0.42 0.00 -0.04 0.00 0.00 63.50 62.57 1cb4 n PRO 13 Cb 0.00 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 1cb4 n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1cb4 s VAL 14 N -2.39 3.88 0.03 0.52 1.01 -1.26 -4.39 120.40 117.79 1cb4 s VAL 14 Ca 0.29 1.30 -0.01 0.00 0.00 0.00 0.00 61.98 63.56 1cb4 s VAL 14 Cb 0.20 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1cb4 s VAL 14 CO 0.47 0.05 -0.01 -1.10 0.00 0.00 0.00 175.10 174.50 1cb4 s GLN 15 N 1.75 0.44 0.00 2.72 -0.21 -1.15 -3.88 119.66 119.33 1cb4 s GLN 15 Ca 0.60 -0.82 0.00 0.00 0.02 0.00 0.00 55.36 55.16 1cb4 s GLN 15 Cb -0.30 0.16 0.00 0.00 1.00 0.00 0.00 33.01 33.87 1cb4 s GLN 15 CO 0.27 -0.08 0.00 0.41 -2.12 0.00 0.00 175.29 173.77 1cb4 n GLY 16 N 1.03 0.60 3.02 3.09 0.00 -0.99 -1.24 105.19 110.70 1cb4 n GLY 16 Ca -0.20 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.80 1cb4 n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cb4 s THR 17 N -2.00 1.50 -0.11 2.61 2.01 -1.12 0.12 115.64 118.66 1cb4 s THR 17 Ca 0.00 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 61.40 1cb4 s THR 17 Cb 0.00 -1.41 -0.02 0.00 0.01 0.00 0.00 72.50 71.09 1cb4 s THR 17 CO 0.00 0.45 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.62 1cb4 s ILE 18 N 1.34 3.15 0.03 1.82 -1.09 -0.33 -2.82 121.20 123.31 1cb4 s ILE 18 Ca 0.01 -0.64 0.05 0.00 -2.23 0.00 0.00 60.65 57.84 1cb4 s ILE 18 Cb -0.13 -2.31 -0.03 0.00 -1.58 0.00 0.00 42.46 38.40 1cb4 s ILE 18 CO -0.07 0.54 -0.10 -1.00 -1.23 0.00 0.00 174.94 173.07 1cb4 s HIS 19 N 0.05 2.77 0.01 3.97 3.76 0.24 -0.76 115.29 125.33 1cb4 s HIS 19 Ca -0.04 -0.12 0.05 0.00 -0.15 0.00 0.00 55.06 54.79 1cb4 s HIS 19 Cb -0.14 -1.54 -0.02 0.00 1.11 0.00 0.00 32.58 31.99 1cb4 s HIS 19 CO 0.04 0.35 -0.14 -0.06 -0.85 0.00 0.00 174.74 174.08 1cb4 s PHE 20 N -1.02 1.27 -0.06 1.40 0.40 -0.51 -1.79 117.98 117.67 1cb4 s PHE 20 Ca 0.17 -0.28 -0.04 0.00 -0.60 0.00 0.00 56.93 56.18 1cb4 s PHE 20 Cb -0.11 -0.79 0.03 0.00 0.51 0.00 0.00 43.02 42.66 1cb4 s PHE 20 CO 0.08 0.00 0.14 -2.00 0.70 0.00 0.00 175.22 174.15 1cb4 s GLU 21 N -0.65 0.12 0.14 0.44 2.12 -0.56 -2.20 118.70 118.12 1cb4 s GLU 21 Ca 0.04 0.29 -0.26 0.00 0.36 0.00 0.00 54.97 55.39 1cb4 s GLU 21 Cb -0.06 -0.06 -0.07 0.00 0.26 0.00 0.00 34.13 34.19 1cb4 s GLU 21 CO 0.00 -0.10 0.82 0.00 -0.54 0.00 0.00 175.26 175.44 1cb4 s ALA 22 N 0.67 3.40 -0.35 6.30 0.00 -0.32 -1.19 121.76 130.26 1cb4 s ALA 22 Ca -0.05 0.40 0.02 0.00 0.00 0.00 0.00 51.96 52.33 1cb4 s ALA 22 Cb -0.07 -3.03 0.15 0.00 0.00 0.00 0.00 23.12 20.17 1cb4 s ALA 22 CO -0.03 0.20 0.32 0.15 0.00 0.00 0.00 175.76 176.40 1cb4 s LYS 23 N -0.79 0.55 7.37 0.00 -0.14 -0.38 -4.93 119.74 121.42 1cb4 s LYS 23 Ca 0.38 -0.82 0.00 0.00 -1.36 0.00 0.00 55.97 54.18 1cb4 s LYS 23 Cb -0.23 -0.84 0.00 0.00 -1.68 0.00 0.00 37.83 35.08 1cb4 s LYS 23 CO 0.27 -1.16 0.00 0.41 -0.76 0.00 0.00 175.35 174.10 1cb4 n GLY 24 N 4.42 2.72 1.65 -3.33 0.00 -1.26 -1.41 105.19 107.99 1cb4 n GLY 24 Ca 0.08 -0.27 0.02 0.00 0.00 0.00 0.00 46.02 45.85 1cb4 n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cb4 n ASP 25 N 5.31 4.58 -4.56 1.61 8.00 -1.26 -4.90 116.55 125.33 1cb4 n ASP 25 Ca 0.00 -2.81 -0.24 0.00 0.71 0.00 0.00 54.79 52.45 1cb4 n ASP 25 Cb 0.00 -0.67 -0.09 0.00 -0.02 0.00 0.00 41.12 40.34 1cb4 n ASP 25 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1cb4 s THR 26 N -2.42 2.62 -0.11 -3.53 -1.32 -0.50 -4.62 115.64 105.76 1cb4 s THR 26 Ca 0.43 -2.16 0.01 0.00 -1.21 0.00 0.00 61.69 58.76 1cb4 s THR 26 Cb 0.34 -2.61 0.02 0.00 -1.51 0.00 0.00 72.50 68.74 1cb4 s THR 26 CO 0.12 -0.29 -0.11 -0.69 -2.21 0.00 0.00 174.62 171.44 1cb4 s VAL 27 N -2.51 1.22 -0.28 5.08 1.01 0.57 -1.25 120.40 124.25 1cb4 s VAL 27 Ca 0.32 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.74 1cb4 s VAL 27 Cb -0.02 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 1cb4 s VAL 27 CO 0.17 0.39 0.19 -0.69 0.00 0.00 0.00 175.10 175.16 1cb4 s VAL 28 N 1.30 5.29 -0.19 2.92 1.01 -0.33 -0.07 120.40 130.33 1cb4 s VAL 28 Ca -0.02 0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 1cb4 s VAL 28 Cb -0.14 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1cb4 s VAL 28 CO -0.05 0.25 -0.05 0.54 0.00 0.00 0.00 175.10 175.79 1cb4 s VAL 29 N 1.74 3.48 0.17 2.92 0.11 0.18 -1.49 120.40 127.52 1cb4 s VAL 29 Ca 0.07 -0.48 0.05 0.00 -2.93 0.00 0.00 61.98 58.70 1cb4 s VAL 29 Cb -0.16 -2.55 -0.05 0.00 -1.53 0.00 0.00 36.38 32.10 1cb4 s VAL 29 CO 0.11 0.46 -0.10 0.42 -3.33 0.00 0.00 175.10 172.65 1cb4 s THR 30 N 0.97 1.31 -5.00 5.04 -4.23 -0.74 -0.63 115.64 112.37 1cb4 s THR 30 Ca -0.00 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.41 1cb4 s THR 30 Cb -0.15 -1.95 0.00 0.00 1.34 0.00 0.00 72.50 71.75 1cb4 s THR 30 CO 0.01 -0.67 0.00 0.61 -0.54 0.00 0.00 174.62 174.03 1cb4 n GLY 31 N -0.27 0.57 3.56 3.99 0.00 -0.95 -0.59 105.19 111.50 1cb4 n GLY 31 Ca -0.09 -1.63 -0.16 0.00 0.00 0.00 0.00 46.02 44.13 1cb4 n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cb4 s SER 32 N -4.00 -0.68 -0.04 1.61 1.04 -1.13 0.13 113.70 110.63 1cb4 s SER 32 Ca 0.00 0.96 0.05 0.00 0.48 0.00 0.00 55.95 57.44 1cb4 s SER 32 Cb 0.00 0.85 -0.01 0.00 0.10 0.00 0.00 66.02 66.96 1cb4 s SER 32 CO 0.00 -0.48 -0.20 -0.63 0.98 0.00 0.00 173.24 172.90 1cb4 s ILE 33 N -0.65 1.68 0.38 -1.02 1.01 0.18 -2.80 121.20 119.98 1cb4 s ILE 33 Ca -0.07 -0.86 0.06 0.00 0.00 0.00 0.00 60.65 59.77 1cb4 s ILE 33 Cb -0.02 -1.42 -0.07 0.00 0.01 0.00 0.00 42.46 40.96 1cb4 s ILE 33 CO 0.07 0.47 0.03 0.42 0.00 0.00 0.00 174.94 175.93 1cb4 s THR 34 N -0.12 1.72 -0.02 2.92 -4.23 -0.37 -0.09 115.64 115.46 1cb4 s THR 34 Ca -0.02 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 1cb4 s THR 34 Cb -0.12 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.80 1cb4 s THR 34 CO 0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 1cb4 n GLY 35 N -0.87 0.43 3.88 3.99 0.00 -0.91 -2.93 105.19 108.78 1cb4 n GLY 35 Ca -0.04 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 1cb4 n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cb4 s LEU 36 N -0.04 4.11 0.05 0.99 1.43 -0.15 -4.47 118.68 120.60 1cb4 s LEU 36 Ca 0.00 0.89 -0.31 0.00 -1.03 0.00 0.00 54.13 53.69 1cb4 s LEU 36 Cb 0.00 -3.68 -0.06 0.00 0.03 0.00 0.00 46.19 42.48 1cb4 s LEU 36 CO 0.00 -0.14 1.28 0.42 0.23 0.00 0.00 176.35 178.14 1cb4 s THR 37 N -1.94 3.82 0.31 5.49 -4.23 -1.26 -3.89 115.64 113.94 1cb4 s THR 37 Ca 0.47 1.28 -0.23 0.00 -1.18 0.00 0.00 61.69 62.03 1cb4 s THR 37 Cb -0.11 -3.82 -0.15 0.00 1.34 0.00 0.00 72.50 69.76 1cb4 s THR 37 CO 0.24 0.07 0.23 1.21 -0.54 0.00 0.00 174.62 175.84 1cb4 n GLU 38 N 4.34 0.00 0.00 3.99 2.13 -1.23 -4.67 120.64 125.20 1cb4 n GLU 38 Ca 0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.93 1cb4 n GLU 38 Cb 0.45 -0.95 0.00 0.00 0.27 0.00 0.00 31.44 31.20 1cb4 n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1cb4 n GLY 39 N 2.11 -0.16 3.74 8.31 0.00 0.21 -4.86 105.19 114.55 1cb4 n GLY 39 Ca 0.13 -2.24 -0.37 0.00 0.00 0.00 0.00 46.02 43.54 1cb4 n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cb4 s ASP 40 N -4.00 6.57 -0.05 1.61 1.11 -1.26 0.12 116.67 120.77 1cb4 s ASP 40 Ca 0.00 0.67 0.03 0.00 0.18 0.00 0.00 52.55 53.43 1cb4 s ASP 40 Cb 0.00 -2.23 0.00 0.00 1.07 0.00 0.00 42.92 41.77 1cb4 s ASP 40 CO 0.00 0.09 -0.15 -1.00 1.18 0.00 0.00 175.17 175.29 1cb4 s HIS 41 N 0.33 1.54 0.42 4.23 3.76 0.29 -1.87 115.29 124.00 1cb4 s HIS 41 Ca 0.21 -0.47 -0.27 0.00 -0.15 0.00 0.00 55.06 54.38 1cb4 s HIS 41 Cb -0.14 -1.07 -0.10 0.00 1.11 0.00 0.00 32.58 32.39 1cb4 s HIS 41 CO 0.07 -0.19 1.47 0.20 -0.85 0.00 0.00 174.74 175.45 1cb4 s GLY 42 N 0.22 2.93 -0.32 -2.22 0.00 -0.93 0.60 107.32 107.60 1cb4 s GLY 42 Ca -0.07 1.54 -0.01 0.00 0.00 0.00 0.00 44.72 46.18 1cb4 s GLY 42 CO 0.02 2.20 0.13 -0.12 0.00 0.00 0.00 173.10 175.33 1cb4 s PHE 43 N -1.16 1.23 0.15 1.90 5.36 -0.28 -0.79 117.98 124.39 1cb4 s PHE 43 Ca 0.57 -1.52 0.06 0.00 -0.96 0.00 0.00 56.93 55.08 1cb4 s PHE 43 Cb -0.46 -1.42 -0.04 0.00 -0.34 0.00 0.00 43.02 40.77 1cb4 s PHE 43 CO 0.61 -0.85 -0.14 -1.01 -1.46 0.00 0.00 175.22 172.36 1cb4 s HIS 44 N 1.62 1.49 -0.38 10.12 3.76 -0.75 -2.57 115.29 128.58 1cb4 s HIS 44 Ca 0.11 -0.58 -0.20 0.00 -0.15 0.00 0.00 55.06 54.24 1cb4 s HIS 44 Cb -0.18 -0.75 0.01 0.00 1.11 0.00 0.00 32.58 32.76 1cb4 s HIS 44 CO -0.25 0.20 0.59 0.08 -0.85 0.00 0.00 174.74 174.52 1cb4 s VAL 45 N -2.48 4.92 0.47 -0.90 1.01 -0.25 -0.59 120.40 122.58 1cb4 s VAL 45 Ca 0.14 0.36 -0.02 0.00 0.00 0.00 0.00 61.98 62.46 1cb4 s VAL 45 Cb -0.03 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 1cb4 s VAL 45 CO 0.04 -0.36 0.73 -1.00 0.00 0.00 0.00 175.10 174.52 1cb4 s HIS 46 N 2.62 3.36 0.06 5.22 3.76 1.00 -0.68 115.29 130.63 1cb4 s HIS 46 Ca 0.22 0.49 -0.22 0.00 -0.15 0.00 0.00 55.06 55.40 1cb4 s HIS 46 Cb -0.15 -2.34 -0.13 0.00 1.11 0.00 0.00 32.58 31.07 1cb4 s HIS 46 CO 0.15 -0.37 1.53 0.37 -0.85 0.00 0.00 174.74 175.57 1cb4 h GLN 47 N 0.28 0.20 -5.83 1.40 4.15 -0.55 -3.14 115.11 111.62 1cb4 h GLN 47 Ca -0.47 -0.05 -0.64 0.00 0.77 0.00 0.00 58.65 58.26 1cb4 h GLN 47 Cb 1.24 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.85 1cb4 h GLN 47 CO 0.60 0.39 -0.49 -0.06 -1.93 0.00 0.00 178.83 177.34 1cb4 s PHE 48 N -5.17 3.54 -0.48 3.99 0.08 -0.41 -4.66 117.98 114.87 1cb4 s PHE 48 Ca -0.14 0.34 -0.01 0.00 0.12 0.00 0.00 56.93 57.23 1cb4 s PHE 48 Cb 0.06 -1.82 0.34 0.00 -0.57 0.00 0.00 43.02 41.03 1cb4 s PHE 48 CO 0.70 0.64 2.00 0.41 -0.10 0.00 0.00 175.22 178.87 1cb4 n GLY 49 N 0.82 4.88 3.42 4.36 0.00 -1.05 -3.31 105.19 114.32 1cb4 n GLY 49 Ca -0.10 -1.62 -0.44 0.00 0.00 0.00 0.00 46.02 43.87 1cb4 n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cb4 s ASP 50 N -0.79 6.12 -0.22 1.61 -1.08 -1.26 -4.94 116.67 116.11 1cb4 s ASP 50 Ca 0.47 -1.11 0.15 0.00 -0.52 0.00 0.00 52.55 51.54 1cb4 s ASP 50 Cb 0.37 -2.17 0.78 0.00 -1.46 0.00 0.00 42.92 40.44 1cb4 s ASP 50 CO -0.00 -0.54 1.70 -3.20 0.52 0.00 0.00 175.17 173.65 1cb4 n ASN 51 N 5.18 5.45 0.29 -0.34 2.85 -1.26 -3.29 115.26 124.13 1cb4 n ASN 51 Ca -0.12 -2.92 0.17 0.00 -0.11 0.00 0.00 54.58 51.61 1cb4 n ASN 51 Cb 0.45 -0.66 0.79 0.00 1.24 0.00 0.00 39.78 41.61 1cb4 n ASN 51 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1cb4 h THR 52 N 3.71 0.12 -1.06 -0.44 1.35 -1.93 -2.74 112.91 111.92 1cb4 h THR 52 Ca 0.00 -0.45 -0.51 0.00 -0.55 0.00 0.00 66.41 64.89 1cb4 h THR 52 Cb 1.88 1.40 -0.42 0.00 -1.73 0.00 0.00 68.15 69.28 1cb4 h THR 52 CO 0.44 0.04 -0.86 0.00 -0.25 0.00 0.00 175.52 174.89 1cb4 n GLN 53 N -3.19 3.06 0.00 4.72 6.02 -1.26 -5.06 117.38 121.67 1cb4 n GLN 53 Ca -0.01 -4.13 0.00 0.00 -0.01 0.00 0.00 57.00 52.85 1cb4 n GLN 53 Cb 0.26 -2.08 0.00 0.00 1.02 0.00 0.00 30.24 29.44 1cb4 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1cb4 n GLY 54 N -0.53 1.50 0.10 1.08 0.00 -1.03 -3.00 105.19 103.30 1cb4 n GLY 54 Ca 0.34 -0.62 0.13 0.00 0.00 0.00 0.00 46.02 45.87 1cb4 n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cb4 h THR 56 N 0.00 1.09 0.00 0.00 1.35 -1.88 -2.53 112.91 110.94 1cb4 h THR 56 Ca 0.00 -2.02 0.00 0.00 -0.55 0.00 0.00 66.41 63.84 1cb4 h THR 56 Cb 0.69 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 1cb4 h THR 56 CO 0.00 0.52 0.00 -1.54 -0.25 0.00 0.00 175.52 174.25 1cb4 n SER 57 N -3.49 0.00 0.00 5.36 3.41 -1.24 -3.02 113.62 114.64 1cb4 n SER 57 Ca 0.00 -0.45 0.05 0.00 -0.26 0.00 0.00 58.87 58.21 1cb4 n SER 57 Cb 0.63 -0.16 0.25 0.00 -0.26 0.00 0.00 64.21 64.68 1cb4 n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cb4 n ALA 58 N -1.16 1.60 -0.49 7.33 0.00 -0.95 -4.51 120.51 122.33 1cb4 n ALA 58 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1cb4 n ALA 58 Cb 0.16 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1cb4 n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cb4 n GLY 59 N -0.40 -0.06 2.04 0.00 0.00 -1.17 -1.29 105.19 104.32 1cb4 n GLY 59 Ca 0.04 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 1cb4 n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1cb4 n PRO 60 N 0.00 0.29 -1.85 1.61 -0.04 -1.26 -4.67 135.00 129.07 1cb4 n PRO 60 Ca 0.00 -1.45 -0.40 0.00 -0.04 0.00 0.00 63.50 61.61 1cb4 n PRO 60 Cb 0.00 -0.33 0.01 0.00 -0.04 0.00 0.00 33.50 33.14 1cb4 n PRO 60 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1cb4 s HIS 61 N -1.45 2.54 -0.20 0.54 3.76 -1.26 -0.27 115.29 118.95 1cb4 s HIS 61 Ca 0.35 1.28 -0.28 0.00 -0.15 0.00 0.00 55.06 56.25 1cb4 s HIS 61 Cb -0.02 -3.88 -0.05 0.00 1.11 0.00 0.00 32.58 29.74 1cb4 s HIS 61 CO 0.23 -2.78 2.06 0.12 -0.85 0.00 0.00 174.74 173.52 1cb4 s PHE 62 N -1.21 1.37 -0.42 1.40 5.36 0.15 -4.46 117.98 120.17 1cb4 s PHE 62 Ca 0.59 0.40 0.08 0.00 -0.96 0.00 0.00 56.93 57.04 1cb4 s PHE 62 Cb -0.43 -4.01 0.25 0.00 -0.34 0.00 0.00 43.02 38.49 1cb4 s PHE 62 CO 0.55 -4.03 0.55 -1.71 -1.46 0.00 0.00 175.22 169.12 1cb4 n ASN 63 N 10.55 0.61 0.15 6.13 4.05 -1.26 -1.07 115.26 134.42 1cb4 n ASN 63 Ca 0.26 -2.79 0.03 0.00 0.45 0.00 0.00 54.58 52.53 1cb4 n ASN 63 Cb 0.45 -0.64 0.39 0.00 1.23 0.00 0.00 39.78 41.21 1cb4 n ASN 63 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1cb4 h PRO 64 N 4.00 0.16 -0.80 1.20 0.13 -1.97 -2.83 132.00 131.89 1cb4 h PRO 64 Ca 0.09 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 65.08 1cb4 h PRO 64 Cb 0.85 -0.02 -0.06 0.00 0.13 0.00 0.00 31.00 31.91 1cb4 h PRO 64 CO 0.51 0.36 0.12 1.28 -0.23 0.00 0.00 178.00 180.04 1cb4 n LEU 65 N -4.24 4.54 -3.82 1.56 4.77 -1.26 -4.95 117.00 113.59 1cb4 n LEU 65 Ca -0.01 -2.33 -0.24 0.00 -0.03 0.00 0.00 56.01 53.39 1cb4 n LEU 65 Cb 0.30 -0.65 0.01 0.00 -2.33 0.00 0.00 43.42 40.75 1cb4 n LEU 65 CO 0.38 0.60 -0.10 -1.20 -1.33 0.00 0.00 177.39 175.74 1cb4 n SER 66 N 0.14 -2.28 -5.00 -1.43 7.64 -1.07 -4.95 113.62 106.66 1cb4 n SER 66 Ca 0.24 -0.69 -0.20 0.00 1.01 0.00 0.00 58.87 59.23 1cb4 n SER 66 Cb 1.00 -0.86 0.07 0.00 -1.01 0.00 0.00 64.21 63.40 1cb4 n SER 66 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1cb4 s LYS 67 N -5.96 2.23 0.24 1.43 -0.14 -1.26 -5.11 119.74 111.17 1cb4 s LYS 67 Ca 0.23 -1.60 -0.09 0.00 -1.36 0.00 0.00 55.97 53.14 1cb4 s LYS 67 Cb -0.13 -2.62 -0.07 0.00 -1.68 0.00 0.00 37.83 33.33 1cb4 s LYS 67 CO 0.53 -0.93 0.56 0.15 -0.76 0.00 0.00 175.35 174.90 1cb4 s LYS 68 N -4.72 3.79 0.29 1.68 1.02 -1.26 -4.75 119.74 115.79 1cb4 s LYS 68 Ca 0.62 0.27 -0.30 0.00 0.02 0.00 0.00 55.97 56.59 1cb4 s LYS 68 Cb -0.06 -2.63 -0.12 0.00 -0.52 0.00 0.00 37.83 34.50 1cb4 s LYS 68 CO 0.40 0.29 1.47 1.58 -0.92 0.00 0.00 175.35 178.17 1cb4 n HIS 69 N -0.24 2.52 -2.84 3.18 -0.00 -0.71 -3.16 115.22 113.96 1cb4 n HIS 69 Ca 0.00 0.39 0.00 0.00 -0.00 0.00 0.00 57.72 58.11 1cb4 n HIS 69 Cb 0.53 -2.51 0.00 0.00 -0.00 0.00 0.00 29.99 28.00 1cb4 n HIS 69 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1cb4 n GLY 70 N 1.79 4.49 3.87 1.57 0.00 -1.26 -4.38 105.19 111.27 1cb4 n GLY 70 Ca 0.08 -1.27 -0.21 0.00 0.00 0.00 0.00 46.02 44.62 1cb4 n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cb4 s GLY 71 N -0.11 2.16 0.33 -0.02 0.00 -1.25 -4.69 107.32 103.74 1cb4 s GLY 71 Ca 0.00 -1.89 0.04 0.00 0.00 0.00 0.00 44.72 42.87 1cb4 s GLY 71 CO 0.00 -1.72 1.91 -0.56 0.00 0.00 0.00 173.10 172.73 1cb4 h PRO 72 N 1.04 0.86 0.00 2.90 0.13 -1.88 -2.24 132.00 132.81 1cb4 h PRO 72 Ca -0.41 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1cb4 h PRO 72 Cb 1.27 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1cb4 h PRO 72 CO 0.58 0.57 0.00 0.87 -0.23 0.00 0.00 178.00 179.79 1cb4 h LYS 73 N 0.89 0.00 -7.31 0.86 6.56 -1.96 -3.46 116.57 112.15 1cb4 h LYS 73 Ca 0.39 0.00 -0.50 0.00 -1.06 0.00 0.00 60.65 59.47 1cb4 h LYS 73 Cb 0.33 0.00 0.06 0.00 -0.57 0.00 0.00 32.23 32.05 1cb4 h LYS 73 CO -0.15 0.00 0.39 -0.51 -2.06 0.00 0.00 179.45 177.12 1cb4 s ASP 74 N -5.88 6.05 0.01 0.86 1.01 -0.84 -4.98 116.67 112.89 1cb4 s ASP 74 Ca 0.04 1.54 0.07 0.00 0.71 0.00 0.00 52.55 54.91 1cb4 s ASP 74 Cb 0.07 -2.49 -0.23 0.00 1.01 0.00 0.00 42.92 41.28 1cb4 s ASP 74 CO 0.60 -0.99 0.87 0.44 0.21 0.00 0.00 175.17 176.30 1cb4 h ASP 75 N -0.10 0.09 -3.06 0.27 3.32 -1.89 -3.41 116.42 111.64 1cb4 h ASP 75 Ca -0.45 -0.14 -0.71 0.00 0.02 0.00 0.00 57.03 55.75 1cb4 h ASP 75 Cb 1.20 -0.03 -0.20 0.00 0.22 0.00 0.00 39.33 40.52 1cb4 h ASP 75 CO 0.60 1.12 0.01 -0.70 -1.72 0.00 0.00 179.24 178.55 1cb4 s GLU 76 N -2.63 3.05 0.14 3.56 2.56 -1.26 -4.97 118.70 119.15 1cb4 s GLU 76 Ca -0.04 -1.26 -0.25 0.00 0.00 0.00 0.00 54.97 53.42 1cb4 s GLU 76 Cb 0.08 -4.21 0.06 0.00 2.00 0.00 0.00 34.13 32.07 1cb4 s GLU 76 CO 0.83 -1.38 0.81 -0.98 -0.56 0.00 0.00 175.26 173.98 1cb4 s ARG 77 N 2.43 1.26 0.58 4.30 1.70 -1.19 -4.00 118.95 124.03 1cb4 s ARG 77 Ca 0.11 -0.60 -0.16 0.00 -0.47 0.00 0.00 55.73 54.60 1cb4 s ARG 77 Cb -0.24 0.49 -0.04 0.00 -0.57 0.00 0.00 34.95 34.59 1cb4 s ARG 77 CO 0.07 -0.57 1.05 -1.01 -1.08 0.00 0.00 175.30 173.77 1cb4 s HIS 78 N -3.49 3.00 0.34 5.89 3.76 -1.21 -4.66 115.29 118.92 1cb4 s HIS 78 Ca 0.08 1.52 0.04 0.00 -0.15 0.00 0.00 55.06 56.54 1cb4 s HIS 78 Cb -0.02 -3.01 0.62 0.00 1.11 0.00 0.00 32.58 31.27 1cb4 s HIS 78 CO -0.03 -1.07 1.91 0.28 -0.85 0.00 0.00 174.74 174.98 1cb4 h VAL 79 N 0.58 1.18 -0.01 -0.90 2.07 -1.72 -2.83 116.25 114.63 1cb4 h VAL 79 Ca -0.47 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.40 1cb4 h VAL 79 Cb 1.22 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1cb4 h VAL 79 CO 0.58 0.24 0.00 0.61 0.02 0.00 0.00 177.57 179.01 1cb4 n GLY 80 N -1.02 -0.80 3.55 2.17 0.00 -0.23 -4.46 105.19 104.40 1cb4 n GLY 80 Ca 0.02 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 1cb4 n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cb4 s ASP 81 N -1.87 5.84 -0.25 1.61 1.01 -1.07 -1.09 116.67 120.85 1cb4 s ASP 81 Ca 0.41 -0.22 0.13 0.00 0.71 0.00 0.00 52.55 53.58 1cb4 s ASP 81 Cb 0.19 -2.55 0.62 0.00 1.01 0.00 0.00 42.92 42.19 1cb4 s ASP 81 CO 0.32 -2.04 1.57 0.18 0.21 0.00 0.00 175.17 175.42 1cb4 n LEU 82 N 10.64 4.75 0.00 1.23 4.77 -1.06 -3.75 117.00 133.58 1cb4 n LEU 82 Ca 0.11 -3.20 0.00 0.00 -0.03 0.00 0.00 56.01 52.89 1cb4 n LEU 82 Cb 0.50 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1cb4 n LEU 82 CO 0.71 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 178.18 1cb4 n GLY 83 N -0.41 2.67 3.32 -0.72 0.00 -1.24 -4.76 105.19 104.05 1cb4 n GLY 83 Ca 0.30 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 1cb4 n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1cb4 s ASN 84 N -4.00 2.62 0.10 1.61 -0.87 -1.26 -1.13 114.94 112.01 1cb4 s ASN 84 Ca 0.00 -0.84 0.08 0.00 -1.57 0.00 0.00 52.86 50.53 1cb4 s ASN 84 Cb 0.00 -0.15 -0.04 0.00 -0.02 0.00 0.00 41.25 41.04 1cb4 s ASN 84 CO 0.00 -0.04 -0.17 0.54 -2.57 0.00 0.00 177.10 174.87 1cb4 s VAL 85 N -1.99 2.94 -0.17 1.60 0.11 0.20 -4.89 120.40 118.20 1cb4 s VAL 85 Ca 0.14 -1.42 0.01 0.00 -2.93 0.00 0.00 61.98 57.79 1cb4 s VAL 85 Cb -0.06 -2.34 0.02 0.00 -1.53 0.00 0.00 36.38 32.47 1cb4 s VAL 85 CO 0.06 0.13 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.87 1cb4 s THR 86 N -1.13 2.05 -0.05 5.04 2.01 -1.26 0.11 115.64 122.41 1cb4 s THR 86 Ca 0.18 -0.94 -0.13 0.00 0.31 0.00 0.00 61.69 61.11 1cb4 s THR 86 Cb -0.11 -1.85 -0.05 0.00 0.01 0.00 0.00 72.50 70.50 1cb4 s THR 86 CO 0.10 0.54 0.33 0.00 -0.69 0.00 0.00 174.62 174.90 1cb4 s ALA 87 N 1.23 3.72 1.00 7.40 0.00 0.32 -4.32 121.76 131.10 1cb4 s ALA 87 Ca 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1cb4 s ALA 87 Cb -0.13 -2.30 0.00 0.00 0.00 0.00 0.00 23.12 20.69 1cb4 s ALA 87 CO -0.11 0.44 0.00 -0.40 0.00 0.00 0.00 175.76 175.69 1cb4 n ASP 88 N 2.16 -0.32 0.14 0.00 5.68 -0.97 0.68 116.55 123.92 1cb4 n ASP 88 Ca -0.15 -0.29 0.06 0.00 -0.50 0.00 0.00 54.79 53.91 1cb4 n ASP 88 Cb 0.53 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.56 1cb4 n ASP 88 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1cb4 h LYS 89 N 0.00 0.00 0.00 0.11 5.09 -1.94 -2.96 116.57 116.87 1cb4 h LYS 89 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1cb4 h LYS 89 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 1cb4 h LYS 89 CO 0.00 0.26 0.00 -0.91 -2.09 0.00 0.00 179.45 176.71 1cb4 h ASN 90 N 0.00 0.00 0.00 7.07 2.35 -1.92 -3.45 115.58 119.63 1cb4 h ASN 90 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1cb4 h ASN 90 Cb 1.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.63 1cb4 h ASN 90 CO 0.04 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.43 1cb4 n GLY 91 N 0.55 0.95 3.52 2.83 0.00 -1.12 -4.73 105.19 107.19 1cb4 n GLY 91 Ca 0.03 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1cb4 n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cb4 s VAL 92 N -2.00 4.15 -0.16 1.61 1.01 -1.26 -0.98 120.40 122.77 1cb4 s VAL 92 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1cb4 s VAL 92 Cb 0.00 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.54 1cb4 s VAL 92 CO 0.00 0.47 -0.17 0.00 0.00 0.00 0.00 175.10 175.39 1cb4 s ALA 93 N 0.54 2.41 -0.24 5.51 0.00 0.88 -2.28 121.76 128.57 1cb4 s ALA 93 Ca -0.01 -1.09 -0.15 0.00 0.00 0.00 0.00 51.96 50.72 1cb4 s ALA 93 Cb -0.14 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 1cb4 s ALA 93 CO 0.02 -0.09 0.36 0.42 0.00 0.00 0.00 175.76 176.47 1cb4 s ILE 94 N 0.90 5.20 -0.10 0.00 -1.09 -1.26 -0.65 121.20 124.21 1cb4 s ILE 94 Ca -0.04 0.57 -0.14 0.00 -2.23 0.00 0.00 60.65 58.81 1cb4 s ILE 94 Cb -0.15 -3.69 -0.05 0.00 -1.58 0.00 0.00 42.46 37.00 1cb4 s ILE 94 CO -0.02 0.21 0.34 -0.69 -1.23 0.00 0.00 174.94 173.55 1cb4 s VAL 95 N 1.71 5.22 -0.43 2.92 1.01 0.36 -4.87 120.40 126.32 1cb4 s VAL 95 Ca 0.15 0.67 0.06 0.00 0.00 0.00 0.00 61.98 62.87 1cb4 s VAL 95 Cb -0.15 -3.66 0.18 0.00 0.00 0.00 0.00 36.38 32.74 1cb4 s VAL 95 CO 0.09 0.47 0.57 -0.62 0.00 0.00 0.00 175.10 175.61 1cb4 s ASP 96 N -0.20 -0.64 0.01 3.32 2.15 -1.23 -2.23 116.67 117.85 1cb4 s ASP 96 Ca 0.20 -1.42 0.08 0.00 0.43 0.00 0.00 52.55 51.84 1cb4 s ASP 96 Cb -0.14 1.42 -0.02 0.00 -0.30 0.00 0.00 42.92 43.88 1cb4 s ASP 96 CO 0.08 -0.16 -0.23 -0.63 -0.17 0.00 0.00 175.17 174.06 1cb4 s ILE 97 N 1.33 1.84 -0.15 4.11 1.01 0.20 -4.99 121.20 124.55 1cb4 s ILE 97 Ca 0.21 -1.12 -0.00 0.00 0.00 0.00 0.00 60.65 59.74 1cb4 s ILE 97 Cb -0.05 -1.55 -0.00 0.00 0.01 0.00 0.00 42.46 40.86 1cb4 s ILE 97 CO -0.06 0.40 -0.14 -0.69 0.00 0.00 0.00 174.94 174.44 1cb4 s VAL 98 N -0.66 2.76 0.00 2.92 1.01 -1.26 0.51 120.40 125.68 1cb4 s VAL 98 Ca 0.09 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.36 1cb4 s VAL 98 Cb -0.09 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 1cb4 s VAL 98 CO 0.00 0.51 -0.08 -0.62 0.00 0.00 0.00 175.10 174.91 1cb4 s ASP 99 N 0.77 0.99 0.01 3.32 2.15 0.90 -4.95 116.67 119.87 1cb4 s ASP 99 Ca -0.06 -0.22 0.22 0.00 0.43 0.00 0.00 52.55 52.93 1cb4 s ASP 99 Cb -0.15 -0.09 -0.11 0.00 -0.30 0.00 0.00 42.92 42.27 1cb4 s ASP 99 CO 0.01 0.06 0.90 -0.81 -0.17 0.00 0.00 175.17 175.15 1cb4 n PRO 100 N 2.63 0.23 -0.06 4.34 -0.05 -1.26 -0.32 135.00 140.51 1cb4 n PRO 100 Ca -0.15 -0.04 -0.22 0.00 -0.05 0.00 0.00 63.50 63.04 1cb4 n PRO 100 Cb 0.57 -1.54 -0.13 0.00 -0.05 0.00 0.00 33.50 32.35 1cb4 n PRO 100 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 175.50 175.34 1cb4 n LEU 101 N -1.81 2.42 -4.78 1.53 7.94 -1.26 -4.84 117.00 116.19 1cb4 n LEU 101 Ca 0.02 0.23 -0.34 0.00 -1.11 0.00 0.00 56.01 54.81 1cb4 n LEU 101 Cb 0.41 -1.02 0.02 0.00 0.53 0.00 0.00 43.42 43.36 1cb4 n LEU 101 CO 0.42 0.69 0.75 0.27 -1.11 0.00 0.00 177.39 178.40 1cb4 s ILE 102 N -2.50 3.40 0.18 1.96 -4.36 -1.26 -4.94 121.20 113.68 1cb4 s ILE 102 Ca -0.28 0.73 -0.09 0.00 -0.26 0.00 0.00 60.65 60.75 1cb4 s ILE 102 Cb 0.08 -3.25 -0.01 0.00 1.25 0.00 0.00 42.46 40.53 1cb4 s ILE 102 CO 0.67 -0.32 0.31 -0.94 0.24 0.00 0.00 174.94 174.89 1cb4 s SER 103 N -2.34 0.02 0.00 4.36 1.04 -1.10 -4.53 113.70 111.15 1cb4 s SER 103 Ca 0.68 -0.89 0.23 0.00 0.48 0.00 0.00 55.95 56.45 1cb4 s SER 103 Cb -0.20 0.46 0.49 0.00 0.10 0.00 0.00 66.02 66.86 1cb4 s SER 103 CO 0.34 -0.93 1.43 0.18 0.98 0.00 0.00 173.24 175.25 1cb4 n LEU 104 N -0.24 3.11 -3.73 2.42 4.77 -1.26 -1.02 117.00 121.05 1cb4 n LEU 104 Ca -0.06 -1.34 -0.09 0.00 -0.03 0.00 0.00 56.01 54.49 1cb4 n LEU 104 Cb 0.63 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 41.47 1cb4 n LEU 104 CO 0.24 0.67 0.41 -0.94 -1.33 0.00 0.00 177.39 176.44 1cb4 s SER 105 N -1.49 -0.34 0.10 -1.43 1.04 -1.26 -4.16 113.70 106.16 1cb4 s SER 105 Ca 0.37 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1cb4 s SER 105 Cb 0.22 0.66 0.00 0.00 0.10 0.00 0.00 66.02 67.00 1cb4 s SER 105 CO 0.30 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.94 1cb4 n GLY 106 N -0.42 -1.71 0.35 7.32 0.00 -1.26 -4.04 105.19 105.44 1cb4 n GLY 106 Ca -0.08 -1.34 0.03 0.00 0.00 0.00 0.00 46.02 44.63 1cb4 n GLY 106 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1cb4 h GLU 107 N 0.00 0.89 -1.02 1.61 -0.00 -2.01 -2.44 114.58 111.62 1cb4 h GLU 107 Ca 0.00 -0.05 -0.58 0.00 -0.00 0.00 0.00 59.36 58.73 1cb4 h GLU 107 Cb 0.00 -0.20 -0.29 0.00 -0.00 0.00 0.00 28.75 28.26 1cb4 h GLU 107 CO 0.00 0.59 0.74 0.66 -0.00 0.00 0.00 179.01 181.00 1cb4 n TYR 108 N -4.46 3.05 -2.32 2.06 4.01 -1.26 -4.98 117.16 113.26 1cb4 n TYR 108 Ca 0.10 -2.36 -0.42 0.00 -0.16 0.00 0.00 57.90 55.06 1cb4 n TYR 108 Cb 0.13 -1.17 -0.03 0.00 -0.31 0.00 0.00 39.34 37.97 1cb4 n TYR 108 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1cb4 s SER 109 N -1.45 6.98 0.00 7.72 0.15 -0.92 -2.69 113.70 123.49 1cb4 s SER 109 Ca 0.59 2.15 0.26 0.00 0.70 0.00 0.00 55.95 59.64 1cb4 s SER 109 Cb 0.48 -2.58 0.56 0.00 -1.71 0.00 0.00 66.02 62.76 1cb4 s SER 109 CO 0.05 -0.53 1.45 2.30 1.20 0.00 0.00 173.24 177.71 1cb4 n ILE 110 N 3.82 0.00 -1.76 6.45 -5.35 -0.19 -4.90 119.36 117.43 1cb4 n ILE 110 Ca 0.10 -0.30 -0.42 0.00 -0.27 0.00 0.00 62.75 61.86 1cb4 n ILE 110 Cb 0.45 0.89 -0.03 0.00 -1.74 0.00 0.00 39.64 39.21 1cb4 n ILE 110 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1cb4 s ILE 111 N -2.19 2.36 0.00 7.28 1.01 -1.26 -1.43 121.20 126.96 1cb4 s ILE 111 Ca 0.29 0.11 0.00 0.00 0.00 0.00 0.00 60.65 61.05 1cb4 s ILE 111 Cb 0.20 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.60 1cb4 s ILE 111 CO 0.41 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.96 1cb4 n GLY 112 N 4.05 0.77 3.90 6.18 0.00 0.15 -4.98 105.19 115.26 1cb4 n GLY 112 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 1cb4 n GLY 112 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cb4 s ARG 113 N -0.38 2.38 -0.19 1.61 0.52 -0.52 -2.52 118.95 119.85 1cb4 s ARG 113 Ca 0.00 -1.76 -0.07 0.00 -0.52 0.00 0.00 55.73 53.38 1cb4 s ARG 113 Cb 0.00 -2.28 -0.04 0.00 0.52 0.00 0.00 34.95 33.16 1cb4 s ARG 113 CO 0.00 -0.45 0.05 0.99 0.02 0.00 0.00 175.30 175.91 1cb4 s THR 114 N -2.62 4.57 -0.12 0.02 2.01 -1.19 -0.34 115.64 117.97 1cb4 s THR 114 Ca 0.44 -0.11 -0.26 0.00 0.31 0.00 0.00 61.69 62.07 1cb4 s THR 114 Cb -0.03 -3.07 -0.02 0.00 0.01 0.00 0.00 72.50 69.40 1cb4 s THR 114 CO 0.26 0.44 0.84 -0.32 -0.69 0.00 0.00 174.62 175.16 1cb4 s MET 115 N 0.58 4.37 -0.05 4.92 1.75 -0.68 -0.00 119.30 130.19 1cb4 s MET 115 Ca 0.02 1.08 0.05 0.00 -1.25 0.00 0.00 55.69 55.59 1cb4 s MET 115 Cb -0.13 -3.53 -0.01 0.00 2.84 0.00 0.00 34.83 34.00 1cb4 s MET 115 CO 0.01 -0.21 -0.21 0.08 -0.65 0.00 0.00 175.02 174.04 1cb4 s VAL 116 N 1.72 1.74 -0.21 10.11 1.01 0.24 -2.20 120.40 132.81 1cb4 s VAL 116 Ca 0.41 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.47 1cb4 s VAL 116 Cb -0.17 -1.49 -0.00 0.00 0.00 0.00 0.00 36.38 34.71 1cb4 s VAL 116 CO 0.16 0.49 -0.07 0.54 0.00 0.00 0.00 175.10 176.22 1cb4 s VAL 117 N -0.03 3.15 0.43 2.92 0.11 -0.73 -1.81 120.40 124.44 1cb4 s VAL 117 Ca -0.05 -0.57 0.01 0.00 -2.93 0.00 0.00 61.98 58.45 1cb4 s VAL 117 Cb -0.13 -2.42 -0.00 0.00 -1.53 0.00 0.00 36.38 32.30 1cb4 s VAL 117 CO 0.03 0.45 0.63 -1.00 -3.33 0.00 0.00 175.10 171.88 1cb4 s HIS 118 N 1.40 3.20 0.08 1.54 3.76 0.03 -0.45 115.29 124.86 1cb4 s HIS 118 Ca 0.05 0.15 -0.28 0.00 -0.15 0.00 0.00 55.06 54.82 1cb4 s HIS 118 Cb -0.14 -2.25 -0.17 0.00 1.11 0.00 0.00 32.58 31.13 1cb4 s HIS 118 CO -0.05 -0.29 1.68 1.49 -0.85 0.00 0.00 174.74 176.72 1cb4 h GLU 119 N 0.49 -0.48 -6.20 1.40 4.81 0.14 -3.38 114.58 111.36 1cb4 h GLU 119 Ca -0.46 0.03 -0.54 0.00 -0.13 0.00 0.00 59.36 58.26 1cb4 h GLU 119 Cb 1.25 0.11 -0.08 0.00 0.63 0.00 0.00 28.75 30.66 1cb4 h GLU 119 CO 0.56 -0.32 -0.60 0.15 -0.73 0.00 0.00 179.01 178.07 1cb4 s LYS 120 N -6.12 2.51 0.59 1.92 3.01 0.95 -4.87 119.74 117.73 1cb4 s LYS 120 Ca -0.16 -1.30 -0.20 0.00 -1.01 0.00 0.00 55.97 53.31 1cb4 s LYS 120 Cb 0.05 -2.30 -0.04 0.00 -1.01 0.00 0.00 37.83 34.53 1cb4 s LYS 120 CO 0.64 0.37 1.28 -0.35 0.51 0.00 0.00 175.35 177.80 1cb4 n PRO 121 N -1.00 1.39 -2.62 -1.68 -0.04 -0.78 -2.20 135.00 128.08 1cb4 n PRO 121 Ca -0.07 0.52 -0.43 0.00 -0.04 0.00 0.00 63.50 63.49 1cb4 n PRO 121 Cb 0.59 -2.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.52 1cb4 n PRO 121 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1cb4 s ASP 122 N -1.11 7.14 0.00 3.54 -1.08 -1.26 -4.10 116.67 119.80 1cb4 s ASP 122 Ca 0.76 1.54 0.10 0.00 -0.52 0.00 0.00 52.55 54.43 1cb4 s ASP 122 Cb -0.41 -2.55 0.61 0.00 -1.46 0.00 0.00 42.92 39.12 1cb4 s ASP 122 CO 0.46 -0.58 1.31 -0.90 0.52 0.00 0.00 175.17 175.98 1cb4 n ASP 123 N 5.65 0.00 -2.66 -0.34 5.68 -0.30 -4.88 116.55 119.69 1cb4 n ASP 123 Ca 0.11 -1.47 -0.13 0.00 -0.50 0.00 0.00 54.79 52.79 1cb4 n ASP 123 Cb 0.47 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.45 1cb4 n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1cb4 n LEU 124 N -0.68 -1.13 -0.13 -2.12 4.77 -1.26 -1.54 117.00 114.91 1cb4 n LEU 124 Ca 0.08 0.09 -0.02 0.00 -0.03 0.00 0.00 56.01 56.13 1cb4 n LEU 124 Cb 0.04 -2.02 -0.01 0.00 -2.33 0.00 0.00 43.42 39.10 1cb4 n LEU 124 CO 0.06 -0.05 -0.02 0.61 -1.33 0.00 0.00 177.39 176.67 1cb4 n GLY 125 N -0.86 0.53 0.72 -0.72 0.00 -1.22 -3.91 105.19 99.72 1cb4 n GLY 125 Ca -0.10 -0.42 0.08 0.00 0.00 0.00 0.00 46.02 45.58 1cb4 n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cb4 n ARG 126 N -2.58 1.72 -1.43 1.61 3.00 -0.59 -4.78 116.66 113.62 1cb4 n ARG 126 Ca -0.02 -1.71 -0.30 0.00 -0.01 0.00 0.00 57.85 55.81 1cb4 n ARG 126 Cb 0.10 -1.33 0.11 0.00 0.00 0.00 0.00 32.46 31.35 1cb4 n ARG 126 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1cb4 s GLY 127 N -1.21 1.61 -0.84 -0.13 0.00 -1.26 -4.95 107.32 100.55 1cb4 s GLY 127 Ca 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 44.72 44.74 1cb4 s GLY 127 CO 0.21 0.27 2.07 0.61 0.00 0.00 0.00 173.10 176.25 1cb4 n GLY 128 N -1.76 5.48 3.72 0.20 0.00 -1.26 -4.88 105.19 106.69 1cb4 n GLY 128 Ca 0.07 -2.45 -0.08 0.00 0.00 0.00 0.00 46.02 43.56 1cb4 n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cb4 s ASN 129 N -1.00 -0.17 0.16 1.61 2.20 -1.26 -5.06 114.94 111.42 1cb4 s ASN 129 Ca 0.52 -0.78 -0.14 0.00 -0.94 0.00 0.00 52.86 51.51 1cb4 s ASN 129 Cb 0.42 0.66 0.05 0.00 -2.00 0.00 0.00 41.25 40.38 1cb4 s ASN 129 CO -0.39 -1.25 1.80 -0.08 -2.94 0.00 0.00 177.10 174.24 1cb4 h GLU 130 N 2.13 0.68 -0.82 3.55 4.81 -2.01 -2.99 114.58 119.92 1cb4 h GLU 130 Ca -0.23 -0.06 0.16 0.00 -0.13 0.00 0.00 59.36 59.10 1cb4 h GLU 130 Cb 1.25 -0.14 -0.10 0.00 0.63 0.00 0.00 28.75 30.39 1cb4 h GLU 130 CO 0.29 0.49 0.37 1.49 -0.73 0.00 0.00 179.01 180.93 1cb4 h GLU 131 N 0.67 0.49 -0.86 1.92 4.57 -1.98 0.38 114.58 119.77 1cb4 h GLU 131 Ca 0.18 -0.03 0.16 0.00 -1.18 0.00 0.00 59.36 58.50 1cb4 h GLU 131 Cb -0.02 -0.11 -0.07 0.00 -0.16 0.00 0.00 28.75 28.40 1cb4 h GLU 131 CO -0.03 0.32 0.57 1.03 -1.18 0.00 0.00 179.01 179.71 1cb4 h SER 132 N 0.50 0.52 0.49 1.04 0.87 -1.86 0.13 113.55 115.24 1cb4 h SER 132 Ca 0.47 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 61.06 1cb4 h SER 132 Cb 0.73 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1cb4 h SER 132 CO -0.42 0.25 -0.11 0.35 -0.53 0.00 0.00 176.83 176.37 1cb4 n THR 133 N -4.53 0.00 -0.10 2.23 -2.24 0.12 -2.09 114.28 107.67 1cb4 n THR 133 Ca 0.17 -0.04 -0.19 0.00 -2.27 0.00 0.00 64.05 61.73 1cb4 n THR 133 Cb 0.56 -0.18 -0.06 0.00 -2.10 0.00 0.00 70.33 68.54 1cb4 n THR 133 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1cb4 n LYS 134 N -1.13 0.45 0.00 -0.78 5.02 0.21 -1.74 118.16 120.19 1cb4 n LYS 134 Ca 0.13 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 1cb4 n LYS 134 Cb 0.28 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1cb4 n LYS 134 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1cb4 n THR 135 N -4.06 0.00 -1.40 -0.18 -2.24 0.20 -4.57 114.28 102.02 1cb4 n THR 135 Ca -0.34 -0.44 -0.12 0.00 -2.27 0.00 0.00 64.05 60.89 1cb4 n THR 135 Cb 0.69 1.11 -0.05 0.00 -2.10 0.00 0.00 70.33 69.98 1cb4 n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cb4 n GLY 136 N 0.15 1.17 3.69 3.38 0.00 -0.89 -3.14 105.19 109.56 1cb4 n GLY 136 Ca 0.00 -0.49 -0.28 0.00 0.00 0.00 0.00 46.02 45.25 1cb4 n GLY 136 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1cb4 n ASN 137 N 0.11 -4.52 0.00 1.61 3.02 -1.26 -1.15 115.26 113.06 1cb4 n ASN 137 Ca -0.12 -0.64 0.14 0.00 -0.03 0.00 0.00 54.58 53.94 1cb4 n ASN 137 Cb 0.40 -3.65 0.67 0.00 -0.61 0.00 0.00 39.78 36.58 1cb4 n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cb4 n ALA 138 N -4.21 2.37 -0.34 5.41 0.00 -1.19 -4.71 120.51 117.85 1cb4 n ALA 138 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1cb4 n ALA 138 Cb 0.54 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1cb4 n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cb4 n GLY 139 N 1.35 -0.44 3.69 0.00 0.00 -1.26 -0.03 105.19 108.50 1cb4 n GLY 139 Ca 0.10 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.71 1cb4 n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cb4 s SER 140 N -4.00 3.44 -0.33 1.61 1.04 -1.26 -4.60 113.70 109.60 1cb4 s SER 140 Ca 0.00 2.29 -0.16 0.00 0.48 0.00 0.00 55.95 58.56 1cb4 s SER 140 Cb 0.00 -2.58 -0.01 0.00 0.10 0.00 0.00 66.02 63.53 1cb4 s SER 140 CO 0.00 -2.76 0.41 -0.13 0.98 0.00 0.00 173.24 171.74 1cb4 s ARG 141 N -4.31 3.68 0.05 4.02 0.52 -1.26 0.45 118.95 122.10 1cb4 s ARG 141 Ca 0.71 -0.23 0.01 0.00 -0.52 0.00 0.00 55.73 55.70 1cb4 s ARG 141 Cb -0.26 -3.77 -0.26 0.00 0.52 0.00 0.00 34.95 31.18 1cb4 s ARG 141 CO 0.53 -0.51 1.01 -0.07 0.02 0.00 0.00 175.30 176.28 1cb4 h LEU 142 N 8.82 0.25 -7.00 2.53 3.38 -1.05 -3.47 115.31 118.77 1cb4 h LEU 142 Ca -0.30 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.32 1cb4 h LEU 142 Cb 1.14 -0.08 -0.15 0.00 0.09 0.00 0.00 40.66 41.66 1cb4 h LEU 142 CO 0.71 1.26 0.20 0.00 0.09 0.00 0.00 178.44 180.70 1cb4 s ALA 143 N -2.65 -1.67 0.16 1.53 0.00 -1.21 -4.18 121.76 113.75 1cb4 s ALA 143 Ca -0.05 0.81 -0.24 0.00 0.00 0.00 0.00 51.96 52.48 1cb4 s ALA 143 Cb 0.08 0.55 0.06 0.00 0.00 0.00 0.00 23.12 23.80 1cb4 s ALA 143 CO 0.85 -0.62 0.77 0.00 0.00 0.00 0.00 175.76 176.76 1cb4 s GLY 145 N -2.78 -0.56 0.14 0.00 0.00 -0.94 -1.82 107.32 101.36 1cb4 s GLY 145 Ca 0.07 0.77 -0.30 0.00 0.00 0.00 0.00 44.72 45.26 1cb4 s GLY 145 CO -0.03 0.31 1.09 0.14 0.00 0.00 0.00 173.10 174.61 1cb4 s VAL 146 N -3.26 4.01 -0.21 1.40 1.01 -1.26 -1.68 120.40 120.40 1cb4 s VAL 146 Ca 0.01 1.66 -0.29 0.00 0.00 0.00 0.00 61.98 63.36 1cb4 s VAL 146 Cb -0.01 -4.06 -0.00 0.00 0.00 0.00 0.00 36.38 32.31 1cb4 s VAL 146 CO -0.09 0.25 1.16 -0.63 0.00 0.00 0.00 175.10 175.78 1cb4 s ILE 147 N 0.05 4.46 0.30 2.22 1.01 0.54 -4.56 121.20 125.22 1cb4 s ILE 147 Ca 0.51 1.75 0.10 0.00 0.00 0.00 0.00 60.65 63.01 1cb4 s ILE 147 Cb -0.28 -4.17 -0.05 0.00 0.01 0.00 0.00 42.46 37.96 1cb4 s ILE 147 CO 0.33 -0.20 -0.04 -0.83 0.00 0.00 0.00 174.94 174.20 1cb4 s GLY 148 N 1.67 1.89 0.27 6.18 0.00 -0.48 0.29 107.32 117.14 1cb4 s GLY 148 Ca 0.50 -1.84 -0.29 0.00 0.00 0.00 0.00 44.72 43.08 1cb4 s GLY 148 CO 0.11 -1.86 1.15 -0.42 0.00 0.00 0.00 173.10 172.09 1cb4 s ILE 149 N -2.45 3.40 0.23 0.90 1.01 -1.26 -1.66 121.20 121.37 1cb4 s ILE 149 Ca 0.33 1.35 0.10 0.00 0.00 0.00 0.00 60.65 62.42 1cb4 s ILE 149 Cb -0.03 -3.86 -0.05 0.00 0.01 0.00 0.00 42.46 38.53 1cb4 s ILE 149 CO 0.19 0.30 -0.18 0.00 0.00 0.00 0.00 174.94 175.25 1cb4 s ALA 150 N -0.91 2.34 -2.00 9.38 0.00 -0.94 -4.78 121.76 124.84 1cb4 s ALA 150 Ca 0.47 -1.72 0.12 0.00 0.00 0.00 0.00 51.96 50.83 1cb4 s ALA 150 Cb -0.33 -0.18 0.74 0.00 0.00 0.00 0.00 23.12 23.35 1cb4 s ALA 150 CO 0.42 0.20 1.17 1.17 0.00 0.00 0.00 175.76 178.72