#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 0.41 -4.06 0.00 -1.04 -1.26 -4.71 114.28 103.63 1cb4 n THR 2 Ca 0.00 -0.40 -0.14 0.00 -2.04 0.00 0.00 64.05 61.46 1cb4 n THR 2 Cb 0.00 -0.24 -0.14 0.00 -1.82 0.00 0.00 70.33 68.13 1cb4 n THR 2 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1cb4 s LYS 3 N -2.59 0.28 0.12 -2.82 1.02 -1.26 -1.09 119.74 113.40 1cb4 s LYS 3 Ca -0.05 -0.15 -0.01 0.00 0.02 0.00 0.00 55.97 55.78 1cb4 s LYS 3 Cb 0.06 -0.26 -0.04 0.00 -0.52 0.00 0.00 37.83 37.07 1cb4 s LYS 3 CO 0.51 0.07 0.04 0.00 -0.92 0.00 0.00 175.35 175.06 1cb4 s ALA 4 N -0.14 0.85 -0.00 5.17 0.00 -0.30 -1.56 121.76 125.78 1cb4 s ALA 4 Ca 0.01 -1.45 -0.16 0.00 0.00 0.00 0.00 51.96 50.35 1cb4 s ALA 4 Cb -0.02 0.80 0.03 0.00 0.00 0.00 0.00 23.12 23.93 1cb4 s ALA 4 CO -0.00 -0.47 0.35 0.54 0.00 0.00 0.00 175.76 176.18 1cb4 s VAL 5 N -4.02 0.06 -0.02 0.00 0.11 0.33 -1.51 120.40 115.35 1cb4 s VAL 5 Ca 0.22 -0.47 0.01 0.00 -2.93 0.00 0.00 61.98 58.82 1cb4 s VAL 5 Cb 0.07 -0.72 0.01 0.00 -1.53 0.00 0.00 36.38 34.22 1cb4 s VAL 5 CO 0.01 -0.26 -0.01 0.00 -3.33 0.00 0.00 175.10 171.51 1cb4 s VAL 7 N 0.47 4.04 -0.13 0.00 1.01 -1.26 -1.24 120.40 123.29 1cb4 s VAL 7 Ca -0.05 -0.27 -0.19 0.00 0.00 0.00 0.00 61.98 61.47 1cb4 s VAL 7 Cb -0.07 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 1cb4 s VAL 7 CO -0.01 0.39 0.53 -0.76 0.00 0.00 0.00 175.10 175.25 1cb4 s LEU 8 N 1.35 4.25 0.05 3.92 1.43 0.33 -3.97 118.68 126.03 1cb4 s LEU 8 Ca 0.05 0.85 0.01 0.00 -1.03 0.00 0.00 54.13 54.00 1cb4 s LEU 8 Cb -0.15 -2.77 -0.03 0.00 0.03 0.00 0.00 46.19 43.27 1cb4 s LEU 8 CO 0.02 -0.07 -0.06 -0.54 0.23 0.00 0.00 176.35 175.93 1cb4 s LYS 9 N 0.95 0.56 0.00 1.70 -0.14 -0.63 -2.52 119.74 119.65 1cb4 s LYS 9 Ca 0.28 -0.92 0.00 0.00 -1.36 0.00 0.00 55.97 53.97 1cb4 s LYS 9 Cb -0.16 -0.11 0.00 0.00 -1.68 0.00 0.00 37.83 35.88 1cb4 s LYS 9 CO 0.11 -0.01 0.00 0.41 -0.76 0.00 0.00 175.35 175.10 1cb4 n GLY 10 N 0.97 3.98 0.07 -3.33 0.00 -1.26 -1.28 105.19 104.34 1cb4 n GLY 10 Ca -0.19 -1.02 0.12 0.00 0.00 0.00 0.00 46.02 44.92 1cb4 n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cb4 n ASP 11 N 0.00 0.69 0.00 1.61 8.00 -1.26 -4.93 116.55 120.66 1cb4 n ASP 11 Ca 0.00 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.65 1cb4 n ASP 11 Cb 0.00 0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 1cb4 n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cb4 n GLY 12 N 1.34 3.46 0.23 0.44 0.00 -1.26 -5.02 105.19 104.37 1cb4 n GLY 12 Ca 0.04 -1.91 0.15 0.00 0.00 0.00 0.00 46.02 44.30 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 1.31 -2.50 1.61 -0.04 -1.26 -4.89 135.00 129.23 1cb4 n PRO 13 Ca 0.00 -0.46 -0.42 0.00 -0.04 0.00 0.00 63.50 62.58 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 -2.01 4.27 0.21 0.52 1.01 -1.26 -4.40 120.40 118.74 1cb4 s VAL 14 Ca 0.43 1.62 -0.15 0.00 0.00 0.00 0.00 61.98 63.88 1cb4 s VAL 14 Cb 0.21 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.57 1cb4 s VAL 14 CO 0.36 0.09 0.48 0.00 0.00 0.00 0.00 175.10 176.03 1cb4 s GLN 15 N 1.35 1.41 0.00 2.72 -2.07 -0.74 -4.03 119.66 118.29 1cb4 s GLN 15 Ca 0.56 -1.03 0.00 0.00 -1.82 0.00 0.00 55.36 53.08 1cb4 s GLN 15 Cb -0.26 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.14 1cb4 s GLN 15 CO 0.27 -0.58 0.00 0.41 -1.32 0.00 0.00 175.29 174.06 1cb4 n GLY 16 N -0.33 0.52 3.00 2.60 0.00 -1.05 -0.38 105.19 109.56 1cb4 n GLY 16 Ca -0.07 -0.94 -0.27 0.00 0.00 0.00 0.00 46.02 44.74 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 1.27 -0.09 2.61 2.01 -1.15 0.12 115.64 118.41 1cb4 s THR 17 Ca 0.00 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.52 1cb4 s THR 17 Cb 0.00 -1.19 -0.02 0.00 0.01 0.00 0.00 72.50 71.30 1cb4 s THR 17 CO 0.00 0.40 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.56 1cb4 s ILE 18 N 1.12 3.03 0.05 1.82 -1.09 -0.37 -2.92 121.20 122.84 1cb4 s ILE 18 Ca -0.05 -0.70 0.07 0.00 -2.23 0.00 0.00 60.65 57.74 1cb4 s ILE 18 Cb -0.14 -2.23 -0.03 0.00 -1.58 0.00 0.00 42.46 38.48 1cb4 s ILE 18 CO -0.02 0.56 -0.16 -1.00 -1.23 0.00 0.00 174.94 173.08 1cb4 s HIS 19 N -0.16 2.60 -0.05 3.97 3.76 0.36 -0.81 115.29 124.96 1cb4 s HIS 19 Ca -0.01 -0.23 0.04 0.00 -0.15 0.00 0.00 55.06 54.71 1cb4 s HIS 19 Cb -0.13 -1.47 0.00 0.00 1.11 0.00 0.00 32.58 32.09 1cb4 s HIS 19 CO 0.03 0.28 -0.16 -0.06 -0.85 0.00 0.00 174.74 173.99 1cb4 s PHE 20 N -0.96 1.66 -0.02 1.40 0.40 -0.57 -1.03 117.98 118.85 1cb4 s PHE 20 Ca 0.15 -0.51 0.00 0.00 -0.60 0.00 0.00 56.93 55.98 1cb4 s PHE 20 Cb -0.11 -1.13 0.02 0.00 0.51 0.00 0.00 43.02 42.31 1cb4 s PHE 20 CO 0.06 -0.19 0.00 -2.00 0.70 0.00 0.00 175.22 173.79 1cb4 s GLU 21 N 0.17 0.20 -0.36 0.44 2.12 -0.32 -1.14 118.70 119.81 1cb4 s GLU 21 Ca -0.06 0.08 -0.27 0.00 0.36 0.00 0.00 54.97 55.07 1cb4 s GLU 21 Cb -0.12 -0.38 0.02 0.00 0.26 0.00 0.00 34.13 33.91 1cb4 s GLU 21 CO 0.03 -0.12 1.01 0.00 -0.54 0.00 0.00 175.26 175.64 1cb4 s ALA 22 N 0.87 3.42 -0.26 6.30 0.00 -0.25 -1.60 121.76 130.25 1cb4 s ALA 22 Ca -0.08 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.61 1cb4 s ALA 22 Cb -0.12 -3.63 0.07 0.00 0.00 0.00 0.00 23.12 19.45 1cb4 s ALA 22 CO -0.02 -1.61 -0.03 0.21 0.00 0.00 0.00 175.76 174.31 1cb4 s LYS 23 N 3.64 1.57 6.98 0.00 2.47 -0.39 -4.96 119.74 129.04 1cb4 s LYS 23 Ca 0.42 -1.15 0.00 0.00 -1.56 0.00 0.00 55.97 53.68 1cb4 s LYS 23 Cb -0.12 -2.64 0.00 0.00 -1.46 0.00 0.00 37.83 33.62 1cb4 s LYS 23 CO 0.18 -0.68 0.00 0.41 0.16 0.00 0.00 175.35 175.43 1cb4 n GLY 24 N 4.61 1.79 1.05 5.54 0.00 -1.26 -2.12 105.19 114.79 1cb4 n GLY 24 Ca -0.09 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 45.61 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 6.86 3.17 -4.78 1.61 8.00 -1.26 -4.98 116.55 125.17 1cb4 n ASP 25 Ca 0.00 -1.96 -0.33 0.00 0.71 0.00 0.00 54.79 53.21 1cb4 n ASP 25 Cb 0.00 -0.17 -0.07 0.00 -0.02 0.00 0.00 41.12 40.86 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 -1.67 1.15 -0.10 -3.53 -1.32 -0.90 -5.04 115.64 104.23 1cb4 s THR 26 Ca 0.35 -1.97 0.04 0.00 -1.21 0.00 0.00 61.69 58.90 1cb4 s THR 26 Cb 0.22 -2.13 0.00 0.00 -1.51 0.00 0.00 72.50 69.08 1cb4 s THR 26 CO 0.31 0.00 -0.23 -0.69 -2.21 0.00 0.00 174.62 171.80 1cb4 s VAL 27 N -2.88 2.09 -0.19 5.08 1.01 -1.24 -1.27 120.40 123.01 1cb4 s VAL 27 Ca 0.06 -1.01 -0.06 0.00 0.00 0.00 0.00 61.98 60.97 1cb4 s VAL 27 Cb 0.01 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1cb4 s VAL 27 CO 0.03 0.56 0.04 -0.69 0.00 0.00 0.00 175.10 175.04 1cb4 s VAL 28 N 0.38 4.47 -0.18 2.92 1.01 -0.63 -1.90 120.40 126.48 1cb4 s VAL 28 Ca -0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 1cb4 s VAL 28 Cb -0.18 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1cb4 s VAL 28 CO 0.08 0.44 -0.14 0.54 0.00 0.00 0.00 175.10 176.03 1cb4 s VAL 29 N 0.61 2.68 0.22 2.92 0.11 0.19 -1.17 120.40 125.96 1cb4 s VAL 29 Ca 0.02 -0.75 0.04 0.00 -2.93 0.00 0.00 61.98 58.36 1cb4 s VAL 29 Cb -0.13 -2.16 -0.05 0.00 -1.53 0.00 0.00 36.38 32.51 1cb4 s VAL 29 CO 0.02 0.50 -0.01 0.42 -3.33 0.00 0.00 175.10 172.69 1cb4 s THR 30 N 1.12 1.03 -5.00 5.04 -4.23 -0.20 -0.65 115.64 112.75 1cb4 s THR 30 Ca 0.01 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 1cb4 s THR 30 Cb -0.14 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.41 1cb4 s THR 30 CO -0.05 -0.37 0.00 0.61 -0.54 0.00 0.00 174.62 174.27 1cb4 n GLY 31 N -0.39 0.48 3.47 3.99 0.00 -1.02 -0.48 105.19 111.24 1cb4 n GLY 31 Ca -0.06 -1.64 -0.15 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.61 -0.04 1.61 1.04 -1.15 -0.37 113.70 110.18 1cb4 s SER 32 Ca 0.00 0.36 0.03 0.00 0.48 0.00 0.00 55.95 56.81 1cb4 s SER 32 Cb 0.00 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.69 1cb4 s SER 32 CO 0.00 -0.78 -0.11 -0.63 0.98 0.00 0.00 173.24 172.70 1cb4 s ILE 33 N -2.44 0.96 0.37 -1.02 1.01 0.48 -2.93 121.20 117.63 1cb4 s ILE 33 Ca -0.05 -0.43 0.08 0.00 0.00 0.00 0.00 60.65 60.26 1cb4 s ILE 33 Cb -0.00 -0.87 -0.06 0.00 0.01 0.00 0.00 42.46 41.53 1cb4 s ILE 33 CO -0.01 0.30 0.00 0.42 0.00 0.00 0.00 174.94 175.65 1cb4 s THR 34 N 0.39 2.29 0.00 2.92 -4.23 0.49 -0.37 115.64 117.13 1cb4 s THR 34 Ca -0.08 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 1cb4 s THR 34 Cb -0.12 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 70.89 1cb4 s THR 34 CO 0.02 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 1cb4 n GLY 35 N -0.95 0.65 3.92 3.99 0.00 -0.95 -1.79 105.19 110.07 1cb4 n GLY 35 Ca -0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 3.69 0.48 0.99 1.43 -0.84 -4.34 118.68 120.08 1cb4 s LEU 36 Ca 0.00 0.70 -0.17 0.00 -1.03 0.00 0.00 54.13 53.63 1cb4 s LEU 36 Cb 0.00 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.53 1cb4 s LEU 36 CO 0.00 -0.57 0.96 0.42 0.23 0.00 0.00 176.35 177.39 1cb4 s THR 37 N -2.64 4.51 0.59 5.49 -4.23 -1.26 -4.07 115.64 114.03 1cb4 s THR 37 Ca 0.46 1.25 -0.18 0.00 -1.18 0.00 0.00 61.69 62.04 1cb4 s THR 37 Cb -0.10 -3.69 -0.06 0.00 1.34 0.00 0.00 72.50 69.99 1cb4 s THR 37 CO 0.42 -0.57 0.85 1.21 -0.54 0.00 0.00 174.62 175.99 1cb4 n GLU 38 N -1.29 0.80 0.00 3.99 2.13 -1.26 -4.62 120.64 120.40 1cb4 n GLU 38 Ca 0.06 0.31 0.00 0.00 0.66 0.00 0.00 57.16 58.20 1cb4 n GLU 38 Cb 0.54 -2.04 0.00 0.00 0.27 0.00 0.00 31.44 30.21 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 1.41 -1.89 3.80 8.31 0.00 -0.56 -4.89 105.19 111.38 1cb4 n GLY 39 Ca 0.13 -2.06 -0.37 0.00 0.00 0.00 0.00 46.02 43.72 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 -3.68 7.17 -0.06 1.61 1.01 -1.26 -0.70 116.67 120.76 1cb4 s ASP 40 Ca 0.00 1.49 0.00 0.00 0.71 0.00 0.00 52.55 54.76 1cb4 s ASP 40 Cb 0.00 -2.45 0.02 0.00 1.01 0.00 0.00 42.92 41.51 1cb4 s ASP 40 CO 0.00 0.10 -0.04 -1.00 0.21 0.00 0.00 175.17 174.44 1cb4 s HIS 41 N -1.39 0.81 0.51 4.23 3.76 -0.42 -2.57 115.29 120.22 1cb4 s HIS 41 Ca 0.40 -0.25 -0.23 0.00 -0.15 0.00 0.00 55.06 54.84 1cb4 s HIS 41 Cb -0.19 -0.75 -0.07 0.00 1.11 0.00 0.00 32.58 32.68 1cb4 s HIS 41 CO 0.22 -0.25 1.23 0.41 -0.85 0.00 0.00 174.74 175.51 1cb4 n GLY 42 N 4.34 0.43 2.66 -2.22 0.00 -0.39 -1.46 105.19 108.55 1cb4 n GLY 42 Ca -0.20 0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 1cb4 n GLY 42 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1cb4 s PHE 43 N -1.30 -0.08 0.11 1.61 5.36 0.08 -0.81 117.98 122.96 1cb4 s PHE 43 Ca 0.68 -0.35 0.01 0.00 -0.96 0.00 0.00 56.93 56.32 1cb4 s PHE 43 Cb -0.46 -0.62 -0.04 0.00 -0.34 0.00 0.00 43.02 41.56 1cb4 s PHE 43 CO 0.52 -0.77 -0.05 -1.01 -1.46 0.00 0.00 175.22 172.45 1cb4 s HIS 44 N 2.24 0.93 -0.22 10.12 3.76 -0.57 -2.54 115.29 129.00 1cb4 s HIS 44 Ca 0.08 -0.96 -0.14 0.00 -0.15 0.00 0.00 55.06 53.89 1cb4 s HIS 44 Cb -0.15 -0.54 -0.04 0.00 1.11 0.00 0.00 32.58 32.96 1cb4 s HIS 44 CO -0.27 -0.19 0.32 0.08 -0.85 0.00 0.00 174.74 173.83 1cb4 s VAL 45 N -3.67 5.24 0.15 -0.90 1.01 -0.18 -1.35 120.40 120.71 1cb4 s VAL 45 Ca 0.14 0.53 0.03 0.00 0.00 0.00 0.00 61.98 62.69 1cb4 s VAL 45 Cb 0.06 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1cb4 s VAL 45 CO -0.03 0.27 0.24 -1.00 0.00 0.00 0.00 175.10 174.58 1cb4 s HIS 46 N 1.32 3.38 0.20 5.22 3.76 0.15 -1.63 115.29 127.70 1cb4 s HIS 46 Ca 0.15 0.07 -0.11 0.00 -0.15 0.00 0.00 55.06 55.03 1cb4 s HIS 46 Cb -0.14 -1.62 0.17 0.00 1.11 0.00 0.00 32.58 32.10 1cb4 s HIS 46 CO 0.07 0.52 1.84 0.37 -0.85 0.00 0.00 174.74 176.68 1cb4 h GLN 47 N 2.21 0.76 -6.01 1.40 4.15 -0.67 -2.93 115.11 114.03 1cb4 h GLN 47 Ca -0.48 -0.05 -0.67 0.00 0.77 0.00 0.00 58.65 58.22 1cb4 h GLN 47 Cb 1.20 -0.17 -0.12 0.00 0.21 0.00 0.00 27.48 28.59 1cb4 h GLN 47 CO 0.67 0.50 -0.60 -0.06 -1.93 0.00 0.00 178.83 177.41 1cb4 s PHE 48 N -6.12 3.20 -0.64 3.99 0.08 -0.23 -4.71 117.98 113.56 1cb4 s PHE 48 Ca -0.13 0.19 -0.03 0.00 0.12 0.00 0.00 56.93 57.08 1cb4 s PHE 48 Cb 0.15 -1.75 0.24 0.00 -0.57 0.00 0.00 43.02 41.09 1cb4 s PHE 48 CO 0.76 0.51 2.31 0.41 -0.10 0.00 0.00 175.22 179.11 1cb4 n GLY 49 N 1.61 5.01 3.25 4.36 0.00 -1.09 -3.41 105.19 114.91 1cb4 n GLY 49 Ca -0.16 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.32 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 -0.53 5.75 -0.38 1.61 -1.08 -1.26 -4.92 116.67 115.86 1cb4 s ASP 50 Ca 0.54 -1.75 0.07 0.00 -0.52 0.00 0.00 52.55 50.89 1cb4 s ASP 50 Cb 0.41 -2.03 0.62 0.00 -1.46 0.00 0.00 42.92 40.46 1cb4 s ASP 50 CO -0.27 -0.66 1.75 0.59 0.52 0.00 0.00 175.17 177.10 1cb4 n ASN 51 N 4.96 3.45 0.14 -0.34 5.03 -1.26 -3.30 115.26 123.94 1cb4 n ASN 51 Ca -0.09 -3.61 0.00 0.00 0.87 0.00 0.00 54.58 51.75 1cb4 n ASN 51 Cb 0.41 -0.75 0.29 0.00 -1.02 0.00 0.00 39.78 38.71 1cb4 n ASN 51 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 1cb4 h THR 52 N 1.21 1.29 -1.59 3.41 1.35 -1.93 -2.54 112.91 114.11 1cb4 h THR 52 Ca 0.44 -1.39 -0.65 0.00 -0.55 0.00 0.00 66.41 64.27 1cb4 h THR 52 Cb 2.38 1.67 -0.36 0.00 -1.73 0.00 0.00 68.15 70.11 1cb4 h THR 52 CO 0.81 0.41 -0.06 0.00 -0.25 0.00 0.00 175.52 176.42 1cb4 n GLN 53 N -4.06 3.18 0.00 4.72 6.02 -1.26 -5.04 117.38 120.94 1cb4 n GLN 53 Ca -0.02 -4.09 0.00 0.00 -0.01 0.00 0.00 57.00 52.88 1cb4 n GLN 53 Cb 0.44 -2.26 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 -0.54 1.33 0.14 1.08 0.00 -0.96 -2.26 105.19 103.98 1cb4 n GLY 54 Ca 0.46 -0.58 0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 1.24 0.00 0.00 2.02 -1.79 -2.03 112.91 112.35 1cb4 h THR 56 Ca 0.00 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.51 1cb4 h THR 56 Cb 0.59 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1cb4 h THR 56 CO 0.00 0.28 0.00 -1.54 0.37 0.00 0.00 175.52 174.63 1cb4 n SER 57 N -4.32 0.00 0.03 4.18 3.41 -1.23 -3.29 113.62 112.40 1cb4 n SER 57 Ca 0.07 -0.93 0.08 0.00 -0.26 0.00 0.00 58.87 57.83 1cb4 n SER 57 Cb 0.14 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 64.44 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 -0.92 1.68 -0.30 7.33 0.00 -0.76 -4.49 120.51 123.05 1cb4 n ALA 58 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1cb4 n ALA 58 Cb 0.07 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 0.04 -1.04 2.64 0.00 0.00 -1.21 -1.06 105.19 104.56 1cb4 n GLY 59 Ca 0.03 -1.20 -0.19 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.16 -0.54 -1.85 1.61 -0.04 -1.26 -4.63 135.00 128.13 1cb4 n PRO 60 Ca 0.00 -1.56 -0.39 0.00 -0.04 0.00 0.00 63.50 61.51 1cb4 n PRO 60 Cb 0.00 -0.77 0.02 0.00 -0.04 0.00 0.00 33.50 32.71 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 -2.66 2.47 -0.05 0.54 3.76 -1.26 -0.45 115.29 117.64 1cb4 s HIS 61 Ca 0.49 1.33 -0.30 0.00 -0.15 0.00 0.00 55.06 56.43 1cb4 s HIS 61 Cb -0.02 -3.83 -0.06 0.00 1.11 0.00 0.00 32.58 29.78 1cb4 s HIS 61 CO 0.34 -2.76 1.74 0.12 -0.85 0.00 0.00 174.74 173.33 1cb4 s PHE 62 N -1.26 1.80 -0.41 1.40 5.36 -0.64 -4.49 117.98 119.74 1cb4 s PHE 62 Ca 0.64 0.07 0.09 0.00 -0.96 0.00 0.00 56.93 56.77 1cb4 s PHE 62 Cb -0.41 -4.00 0.30 0.00 -0.34 0.00 0.00 43.02 38.57 1cb4 s PHE 62 CO 0.52 -4.20 0.76 -1.71 -1.46 0.00 0.00 175.22 169.12 1cb4 n ASN 63 N 7.45 -0.43 0.28 6.13 5.15 -1.26 -1.50 115.26 131.08 1cb4 n ASN 63 Ca 0.18 -3.08 0.17 0.00 -0.60 0.00 0.00 54.58 51.25 1cb4 n ASN 63 Cb 0.43 0.16 0.76 0.00 -0.53 0.00 0.00 39.78 40.60 1cb4 n ASN 63 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1cb4 h PRO 64 N 3.43 0.00 -0.38 1.20 0.13 -1.94 -2.47 132.00 131.96 1cb4 h PRO 64 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1cb4 h PRO 64 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1cb4 h PRO 64 CO 0.40 0.04 0.00 1.28 -0.23 0.00 0.00 178.00 179.49 1cb4 n LEU 65 N -3.20 2.69 -3.69 1.56 4.77 -1.26 -4.97 117.00 112.90 1cb4 n LEU 65 Ca -0.00 -1.23 -0.25 0.00 -0.03 0.00 0.00 56.01 54.50 1cb4 n LEU 65 Cb 0.27 -0.25 0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1cb4 n LEU 65 CO 0.27 0.61 -0.09 -1.20 -1.33 0.00 0.00 177.39 175.65 1cb4 n SER 66 N 0.98 -2.96 -3.90 -1.43 7.64 -0.93 -5.01 113.62 108.01 1cb4 n SER 66 Ca 0.18 -0.91 -0.16 0.00 1.01 0.00 0.00 58.87 58.99 1cb4 n SER 66 Cb 0.46 -3.77 0.02 0.00 -1.01 0.00 0.00 64.21 59.91 1cb4 n SER 66 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1cb4 n LYS 67 N -4.16 0.87 -2.90 1.43 5.02 -1.26 -5.13 118.16 112.03 1cb4 n LYS 67 Ca -0.21 -2.20 -0.23 0.00 -2.02 0.00 0.00 58.31 53.66 1cb4 n LYS 67 Cb 0.64 0.09 0.02 0.00 -0.02 0.00 0.00 35.03 35.77 1cb4 n LYS 67 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1cb4 s LYS 68 N -3.58 2.96 0.45 1.97 1.02 -1.26 -4.76 119.74 116.53 1cb4 s LYS 68 Ca 0.28 -0.54 -0.24 0.00 0.02 0.00 0.00 55.97 55.48 1cb4 s LYS 68 Cb -0.02 -2.54 -0.08 0.00 -0.52 0.00 0.00 37.83 34.67 1cb4 s LYS 68 CO 0.18 -0.37 1.27 -1.58 -0.92 0.00 0.00 175.35 173.93 1cb4 s HIS 69 N -2.60 2.75 0.00 3.18 5.65 -0.22 -3.13 115.29 120.92 1cb4 s HIS 69 Ca 0.50 1.44 0.00 0.00 0.25 0.00 0.00 55.06 57.26 1cb4 s HIS 69 Cb -0.10 -3.60 0.00 0.00 -1.18 0.00 0.00 32.58 27.70 1cb4 s HIS 69 CO 0.38 -2.05 0.00 0.41 -0.65 0.00 0.00 174.74 172.83 1cb4 n GLY 70 N 0.62 2.52 3.95 1.59 0.00 -1.25 -4.24 105.19 108.38 1cb4 n GLY 70 Ca 0.06 -1.17 -0.23 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.99 1.69 0.61 -0.02 0.00 -1.21 -4.61 107.32 102.79 1cb4 s GLY 71 Ca 0.00 -1.10 0.34 0.00 0.00 0.00 0.00 44.72 43.95 1cb4 s GLY 71 CO 0.00 -0.84 2.28 -0.56 0.00 0.00 0.00 173.10 173.97 1cb4 h PRO 72 N 0.07 0.00 -0.02 2.90 0.13 -1.89 -1.82 132.00 131.38 1cb4 h PRO 72 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1cb4 h PRO 72 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1cb4 h PRO 72 CO 0.56 0.01 -0.25 1.63 -0.23 0.00 0.00 178.00 179.71 1cb4 n LYS 73 N -3.61 1.36 -2.15 0.86 5.02 -1.26 -4.91 118.16 113.47 1cb4 n LYS 73 Ca -0.03 -1.00 -0.31 0.00 -2.02 0.00 0.00 58.31 54.95 1cb4 n LYS 73 Cb 0.09 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.61 1cb4 n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1cb4 s ASP 74 N -2.33 6.37 0.07 4.39 1.01 -0.69 -4.97 116.67 120.53 1cb4 s ASP 74 Ca 0.25 1.41 -0.07 0.00 0.71 0.00 0.00 52.55 54.85 1cb4 s ASP 74 Cb 0.19 -2.46 -0.28 0.00 1.01 0.00 0.00 42.92 41.38 1cb4 s ASP 74 CO 0.47 -0.73 1.13 -0.78 0.21 0.00 0.00 175.17 175.47 1cb4 h ASP 75 N 0.20 0.55 -2.72 0.27 3.58 -1.90 -3.40 116.42 112.99 1cb4 h ASP 75 Ca -0.45 -0.57 -0.65 0.00 0.42 0.00 0.00 57.03 55.78 1cb4 h ASP 75 Cb 1.19 -0.18 -0.16 0.00 1.72 0.00 0.00 39.33 41.90 1cb4 h ASP 75 CO 0.62 1.43 0.42 -0.70 -2.88 0.00 0.00 179.24 178.13 1cb4 s GLU 76 N -2.72 3.11 0.26 0.28 2.56 -1.26 -4.98 118.70 115.95 1cb4 s GLU 76 Ca -0.05 -1.02 -0.17 0.00 0.00 0.00 0.00 54.97 53.73 1cb4 s GLU 76 Cb 0.06 -4.27 0.01 0.00 2.00 0.00 0.00 34.13 31.94 1cb4 s GLU 76 CO 0.90 -1.73 0.59 -0.98 -0.56 0.00 0.00 175.26 173.48 1cb4 s ARG 77 N 3.59 1.65 0.55 4.30 1.70 -1.18 -3.84 118.95 125.71 1cb4 s ARG 77 Ca 0.19 -1.11 -0.12 0.00 -0.47 0.00 0.00 55.73 54.22 1cb4 s ARG 77 Cb -0.19 0.54 -0.06 0.00 -0.57 0.00 0.00 34.95 34.68 1cb4 s ARG 77 CO 0.08 -0.72 0.97 -1.01 -1.08 0.00 0.00 175.30 173.54 1cb4 s HIS 78 N -3.96 3.54 0.29 5.89 3.76 -1.20 -4.66 115.29 118.94 1cb4 s HIS 78 Ca 0.16 1.29 -0.03 0.00 -0.15 0.00 0.00 55.06 56.33 1cb4 s HIS 78 Cb -0.03 -2.68 0.40 0.00 1.11 0.00 0.00 32.58 31.38 1cb4 s HIS 78 CO 0.07 -0.48 1.96 0.28 -0.85 0.00 0.00 174.74 175.72 1cb4 h VAL 79 N 0.31 1.22 0.00 -0.90 2.07 -1.84 -1.87 116.25 115.24 1cb4 h VAL 79 Ca -0.46 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1cb4 h VAL 79 Cb 1.19 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1cb4 h VAL 79 CO 0.62 0.21 0.00 0.61 0.02 0.00 0.00 177.57 179.03 1cb4 n GLY 80 N -1.40 -0.77 3.46 2.17 0.00 -0.56 -4.56 105.19 103.53 1cb4 n GLY 80 Ca 0.10 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.45 6.18 -0.23 1.61 1.01 -0.71 -1.01 116.67 122.07 1cb4 s ASP 81 Ca 0.11 -0.95 0.14 0.00 0.71 0.00 0.00 52.55 52.55 1cb4 s ASP 81 Cb 0.05 -2.44 0.72 0.00 1.01 0.00 0.00 42.92 42.26 1cb4 s ASP 81 CO 0.08 -1.48 1.65 0.18 0.21 0.00 0.00 175.17 175.81 1cb4 n LEU 82 N 7.89 5.19 0.00 1.23 4.77 -1.05 -3.84 117.00 131.19 1cb4 n LEU 82 Ca -0.02 -3.02 0.00 0.00 -0.03 0.00 0.00 56.01 52.94 1cb4 n LEU 82 Cb 0.46 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1cb4 n LEU 82 CO 0.65 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 178.00 1cb4 n GLY 83 N 0.13 0.92 3.57 -0.72 0.00 -1.24 -4.78 105.19 103.07 1cb4 n GLY 83 Ca 0.28 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 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 4.31 0.09 1.61 0.01 -1.26 -0.74 114.94 114.97 1cb4 s ASN 84 Ca 0.00 -0.47 0.06 0.00 -0.71 0.00 0.00 52.86 51.74 1cb4 s ASN 84 Cb 0.00 -0.78 -0.04 0.00 0.41 0.00 0.00 41.25 40.84 1cb4 s ASN 84 CO 0.00 0.15 -0.06 0.68 -1.51 0.00 0.00 177.10 176.36 1cb4 s VAL 85 N -1.39 3.64 -0.20 1.60 -7.23 -0.54 -4.91 120.40 111.38 1cb4 s VAL 85 Ca 0.22 -1.13 -0.02 0.00 -1.81 0.00 0.00 61.98 59.25 1cb4 s VAL 85 Cb -0.10 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.13 1cb4 s VAL 85 CO 0.14 0.13 -0.11 -0.89 -0.31 0.00 0.00 175.10 174.06 1cb4 s THR 86 N -1.24 2.79 0.17 5.32 2.01 -1.26 -1.30 115.64 122.12 1cb4 s THR 86 Ca 0.23 -0.69 -0.17 0.00 0.31 0.00 0.00 61.69 61.36 1cb4 s THR 86 Cb -0.11 -2.23 -0.07 0.00 0.01 0.00 0.00 72.50 70.09 1cb4 s THR 86 CO 0.15 0.48 0.63 0.00 -0.69 0.00 0.00 174.62 175.19 1cb4 s ALA 87 N 1.36 3.51 0.99 7.40 0.00 0.12 -4.31 121.76 130.83 1cb4 s ALA 87 Ca 0.05 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.03 1cb4 s ALA 87 Cb -0.14 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1cb4 s ALA 87 CO -0.07 0.39 0.00 -0.40 0.00 0.00 0.00 175.76 175.68 1cb4 n ASP 88 N 0.90 0.00 0.27 0.00 5.68 0.15 -1.49 116.55 122.07 1cb4 n ASP 88 Ca -0.05 -0.58 0.17 0.00 -0.50 0.00 0.00 54.79 53.83 1cb4 n ASP 88 Cb 0.51 0.00 0.68 0.00 -1.14 0.00 0.00 41.12 41.17 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 2.10 -1.97 -1.50 116.57 115.30 1cb4 h LYS 89 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1cb4 h LYS 89 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1cb4 h LYS 89 CO 0.00 0.03 -0.21 0.09 -2.00 0.00 0.00 179.45 177.37 1cb4 n ASN 90 N -3.14 0.21 0.00 7.07 3.02 -1.26 -4.85 115.26 116.30 1cb4 n ASN 90 Ca 0.00 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 1cb4 n ASN 90 Cb 0.31 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 1cb4 n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cb4 n GLY 91 N 1.50 0.83 3.68 7.41 0.00 -0.56 -4.68 105.19 113.36 1cb4 n GLY 91 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.08 5.32 -0.14 1.61 1.01 -1.26 -1.99 120.40 122.87 1cb4 s VAL 92 Ca 0.00 0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.35 1cb4 s VAL 92 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1cb4 s VAL 92 CO 0.00 0.34 -0.18 0.00 0.00 0.00 0.00 175.10 175.26 1cb4 s ALA 93 N 0.95 2.41 -0.17 5.51 0.00 0.50 -0.67 121.76 130.28 1cb4 s ALA 93 Ca 0.12 -1.04 -0.16 0.00 0.00 0.00 0.00 51.96 50.88 1cb4 s ALA 93 Cb -0.13 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 1cb4 s ALA 93 CO 0.04 0.02 0.40 0.42 0.00 0.00 0.00 175.76 176.65 1cb4 s ILE 94 N 0.73 5.22 -0.20 0.00 -1.09 -1.26 -0.39 121.20 124.21 1cb4 s ILE 94 Ca -0.08 0.75 -0.06 0.00 -2.23 0.00 0.00 60.65 59.03 1cb4 s ILE 94 Cb -0.16 -3.74 -0.03 0.00 -1.58 0.00 0.00 42.46 36.96 1cb4 s ILE 94 CO 0.01 0.30 0.03 -0.69 -1.23 0.00 0.00 174.94 173.36 1cb4 s VAL 95 N 0.93 4.34 -0.30 2.92 1.01 0.50 -4.77 120.40 125.03 1cb4 s VAL 95 Ca 0.21 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1cb4 s VAL 95 Cb -0.14 -2.97 0.15 0.00 0.00 0.00 0.00 36.38 33.42 1cb4 s VAL 95 CO 0.08 0.43 0.36 -0.62 0.00 0.00 0.00 175.10 175.34 1cb4 s ASP 96 N 0.83 0.96 -0.01 3.32 -1.08 -1.24 -2.44 116.67 117.01 1cb4 s ASP 96 Ca 0.02 -0.61 0.01 0.00 -0.52 0.00 0.00 52.55 51.45 1cb4 s ASP 96 Cb -0.14 0.83 0.00 0.00 -1.46 0.00 0.00 42.92 42.15 1cb4 s ASP 96 CO 0.02 -0.36 -0.05 -0.63 0.52 0.00 0.00 175.17 174.67 1cb4 s ILE 97 N 2.40 0.42 -0.13 4.11 1.01 0.17 -4.97 121.20 124.21 1cb4 s ILE 97 Ca 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.55 1cb4 s ILE 97 Cb -0.13 -0.38 -0.02 0.00 0.01 0.00 0.00 42.46 41.94 1cb4 s ILE 97 CO -0.30 0.14 -0.08 -0.69 0.00 0.00 0.00 174.94 174.01 1cb4 s VAL 98 N 0.14 3.50 -0.01 2.92 1.01 -1.26 0.56 120.40 127.26 1cb4 s VAL 98 Ca -0.01 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.48 1cb4 s VAL 98 Cb -0.05 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 1cb4 s VAL 98 CO -0.00 0.53 -0.09 -0.62 0.00 0.00 0.00 175.10 174.91 1cb4 s ASP 99 N 0.14 1.08 0.00 3.32 2.15 -0.80 -5.02 116.67 117.54 1cb4 s ASP 99 Ca -0.04 -0.17 0.27 0.00 0.43 0.00 0.00 52.55 53.04 1cb4 s ASP 99 Cb -0.14 -0.13 0.77 0.00 -0.30 0.00 0.00 42.92 43.11 1cb4 s ASP 99 CO 0.04 0.11 1.58 -0.81 -0.17 0.00 0.00 175.17 175.92 1cb4 n PRO 100 N 2.89 1.80 -0.08 4.34 -0.04 -1.26 -3.69 135.00 138.96 1cb4 n PRO 100 Ca -0.14 -1.22 -0.10 0.00 -0.04 0.00 0.00 63.50 62.00 1cb4 n PRO 100 Cb 0.57 -1.47 -0.09 0.00 -0.04 0.00 0.00 33.50 32.46 1cb4 n PRO 100 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1cb4 n LEU 101 N 0.46 1.98 -4.93 1.53 4.77 -1.26 -5.00 117.00 114.56 1cb4 n LEU 101 Ca 0.17 -0.06 -0.28 0.00 -0.03 0.00 0.00 56.01 55.81 1cb4 n LEU 101 Cb 0.43 -0.30 0.12 0.00 -2.33 0.00 0.00 43.42 41.34 1cb4 n LEU 101 CO 0.17 0.65 0.76 0.27 -1.33 0.00 0.00 177.39 177.90 1cb4 s ILE 102 N -2.35 2.07 0.00 -0.08 -4.36 -1.26 -4.86 121.20 110.36 1cb4 s ILE 102 Ca -0.18 -0.11 0.00 0.00 -0.26 0.00 0.00 60.65 60.10 1cb4 s ILE 102 Cb 0.05 -2.96 0.00 0.00 1.25 0.00 0.00 42.46 40.80 1cb4 s ILE 102 CO 0.46 0.00 0.00 -1.54 0.24 0.00 0.00 174.94 174.10 1cb4 n SER 103 N -3.34 0.39 -0.40 4.36 3.41 -1.16 -4.64 113.62 112.23 1cb4 n SER 103 Ca 0.11 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.78 1cb4 n SER 103 Cb 0.60 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.70 1cb4 n SER 103 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1cb4 n LEU 104 N 0.00 2.82 -3.49 1.04 4.77 -1.26 -1.10 117.00 119.77 1cb4 n LEU 104 Ca 0.00 -2.59 -0.10 0.00 -0.03 0.00 0.00 56.01 53.29 1cb4 n LEU 104 Cb 0.00 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 40.74 1cb4 n LEU 104 CO 0.00 0.66 0.61 -0.94 -1.33 0.00 0.00 177.39 176.39 1cb4 s SER 105 N -1.78 -0.43 0.00 -1.43 1.04 -1.26 -4.44 113.70 105.39 1cb4 s SER 105 Ca 0.26 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.78 1cb4 s SER 105 Cb 0.20 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1cb4 s SER 105 CO 0.07 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.23 1cb4 n GLY 106 N -0.09 -1.82 0.36 7.32 0.00 -1.26 -4.18 105.19 105.53 1cb4 n GLY 106 Ca -0.11 -1.52 0.13 0.00 0.00 0.00 0.00 46.02 44.52 1cb4 n GLY 106 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1cb4 h GLU 107 N 0.00 0.42 -0.42 1.61 4.81 -2.01 -1.54 114.58 117.44 1cb4 h GLU 107 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1cb4 h GLU 107 Cb 0.00 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1cb4 h GLU 107 CO 0.00 0.28 0.00 0.66 -0.73 0.00 0.00 179.01 179.22 1cb4 n TYR 108 N -4.47 0.56 -1.81 0.92 4.01 -1.26 -4.98 117.16 110.13 1cb4 n TYR 108 Ca 0.12 -0.28 -0.41 0.00 -0.16 0.00 0.00 57.90 57.17 1cb4 n TYR 108 Cb 0.42 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.45 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 -1.19 6.37 0.00 7.72 0.15 -0.58 -3.01 113.70 123.16 1cb4 s SER 109 Ca 0.34 3.01 0.20 0.00 0.70 0.00 0.00 55.95 60.20 1cb4 s SER 109 Cb 0.18 -2.66 0.20 0.00 -1.71 0.00 0.00 66.02 62.04 1cb4 s SER 109 CO 0.25 -0.87 1.18 2.30 1.20 0.00 0.00 173.24 177.30 1cb4 n ILE 110 N 1.01 0.11 -1.72 6.45 -5.35 -0.26 -4.93 119.36 114.67 1cb4 n ILE 110 Ca 0.03 -0.55 -0.42 0.00 -0.27 0.00 0.00 62.75 61.54 1cb4 n ILE 110 Cb 0.39 1.33 -0.03 0.00 -1.74 0.00 0.00 39.64 39.58 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 -1.63 2.22 0.00 7.28 -1.09 -1.26 -1.47 121.20 125.25 1cb4 s ILE 111 Ca 0.26 0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.70 1cb4 s ILE 111 Cb 0.18 -3.02 0.00 0.00 -1.58 0.00 0.00 42.46 38.04 1cb4 s ILE 111 CO 0.26 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.58 1cb4 n GLY 112 N 4.08 0.71 0.76 6.18 0.00 0.12 -4.98 105.19 112.07 1cb4 n GLY 112 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.14 1cb4 n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cb4 n ARG 113 N -2.50 1.18 -4.74 1.61 1.74 -0.54 -2.66 116.66 110.75 1cb4 n ARG 113 Ca 0.00 -0.66 -0.33 0.00 -0.77 0.00 0.00 57.85 56.10 1cb4 n ARG 113 Cb 0.00 0.03 -0.16 0.00 -1.02 0.00 0.00 32.46 31.31 1cb4 n ARG 113 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1cb4 s THR 114 N -0.23 2.42 -0.01 0.55 2.01 -1.11 -0.55 115.64 118.73 1cb4 s THR 114 Ca 0.08 -0.87 -0.26 0.00 0.31 0.00 0.00 61.69 60.96 1cb4 s THR 114 Cb -0.01 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.48 1cb4 s THR 114 CO 0.05 0.53 0.81 -0.32 -0.69 0.00 0.00 174.62 175.01 1cb4 s MET 115 N 0.66 4.50 -0.05 4.92 1.75 -0.84 0.33 119.30 130.57 1cb4 s MET 115 Ca -0.09 1.11 0.03 0.00 -1.25 0.00 0.00 55.69 55.49 1cb4 s MET 115 Cb -0.16 -3.43 0.00 0.00 2.84 0.00 0.00 34.83 34.09 1cb4 s MET 115 CO 0.02 0.09 -0.14 0.08 -0.65 0.00 0.00 175.02 174.42 1cb4 s VAL 116 N 0.63 1.25 -0.12 10.11 1.01 -0.46 -2.21 120.40 130.60 1cb4 s VAL 116 Ca 0.43 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 1cb4 s VAL 116 Cb -0.20 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1cb4 s VAL 116 CO 0.23 0.37 -0.02 0.54 0.00 0.00 0.00 175.10 176.22 1cb4 s VAL 117 N 0.31 4.11 0.34 2.92 0.11 -0.88 -1.52 120.40 125.80 1cb4 s VAL 117 Ca -0.08 -0.30 0.07 0.00 -2.93 0.00 0.00 61.98 58.73 1cb4 s VAL 117 Cb -0.13 -2.76 -0.01 0.00 -1.53 0.00 0.00 36.38 31.95 1cb4 s VAL 117 CO 0.03 0.55 0.42 -1.00 -3.33 0.00 0.00 175.10 171.77 1cb4 s HIS 118 N -0.30 3.02 0.12 1.54 3.76 0.01 -1.30 115.29 122.14 1cb4 s HIS 118 Ca 0.06 -0.26 -0.15 0.00 -0.15 0.00 0.00 55.06 54.55 1cb4 s HIS 118 Cb -0.12 -1.96 -0.04 0.00 1.11 0.00 0.00 32.58 31.57 1cb4 s HIS 118 CO 0.02 0.02 1.55 1.49 -0.85 0.00 0.00 174.74 176.98 1cb4 h GLU 119 N 0.99 0.66 -5.85 1.40 4.81 -0.36 -3.37 114.58 112.86 1cb4 h GLU 119 Ca -0.45 -0.22 -0.58 0.00 -0.13 0.00 0.00 59.36 57.98 1cb4 h GLU 119 Cb 1.26 -0.05 -0.08 0.00 0.63 0.00 0.00 28.75 30.50 1cb4 h GLU 119 CO 0.54 0.78 -0.47 0.15 -0.73 0.00 0.00 179.01 179.28 1cb4 s LYS 120 N -4.95 2.23 0.44 1.92 1.02 -0.46 -4.85 119.74 115.09 1cb4 s LYS 120 Ca -0.13 -1.91 -0.25 0.00 0.02 0.00 0.00 55.97 53.70 1cb4 s LYS 120 Cb 0.09 -1.96 -0.08 0.00 -0.52 0.00 0.00 37.83 35.36 1cb4 s LYS 120 CO 0.79 -0.20 1.33 -2.14 -0.92 0.00 0.00 175.35 174.20 1cb4 s PRO 121 N -3.95 3.79 -0.06 -1.68 0.02 -1.06 -1.26 135.00 130.80 1cb4 s PRO 121 Ca 0.37 2.20 -0.28 0.00 0.02 0.00 0.00 61.00 63.31 1cb4 s PRO 121 Cb 0.03 -2.65 -0.03 0.00 0.02 0.00 0.00 34.50 31.88 1cb4 s PRO 121 CO 0.21 -0.66 0.91 0.34 -0.33 0.00 0.00 177.00 177.47 1cb4 s ASP 122 N -0.76 7.21 0.00 2.53 -1.08 -1.26 -4.15 116.67 119.17 1cb4 s ASP 122 Ca 0.60 1.48 0.17 0.00 -0.52 0.00 0.00 52.55 54.28 1cb4 s ASP 122 Cb -0.39 -2.52 0.63 0.00 -1.46 0.00 0.00 42.92 39.18 1cb4 s ASP 122 CO 0.49 -0.29 1.47 -0.90 0.52 0.00 0.00 175.17 176.46 1cb4 n ASP 123 N 4.29 1.59 -2.81 -0.34 5.68 -0.35 -4.89 116.55 119.72 1cb4 n ASP 123 Ca 0.05 -1.78 -0.20 0.00 -0.50 0.00 0.00 54.79 52.36 1cb4 n ASP 123 Cb 0.50 -0.13 0.04 0.00 -1.14 0.00 0.00 41.12 40.39 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 0.30 -2.69 -0.01 -2.12 4.77 -1.26 -2.59 117.00 113.39 1cb4 n LEU 124 Ca 0.14 -0.30 -0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1cb4 n LEU 124 Cb 0.30 -2.74 -0.00 0.00 -2.33 0.00 0.00 43.42 38.65 1cb4 n LEU 124 CO 0.11 0.27 -0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1cb4 n GLY 125 N -1.52 0.47 0.19 -0.72 0.00 -1.25 -3.34 105.19 99.02 1cb4 n GLY 125 Ca -0.08 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.76 1.71 0.17 1.61 1.74 -1.07 -4.68 116.66 113.39 1cb4 n ARG 126 Ca -0.00 -2.50 0.04 0.00 -0.77 0.00 0.00 57.85 54.62 1cb4 n ARG 126 Cb 0.03 -1.49 0.23 0.00 -1.02 0.00 0.00 32.46 30.21 1cb4 n ARG 126 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1cb4 h GLY 127 N 0.29 0.00 0.00 -0.13 0.00 -1.90 -3.47 103.07 97.85 1cb4 h GLY 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1cb4 h GLY 127 CO 0.03 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.18 1cb4 n GLY 128 N 0.51 0.84 3.78 4.60 0.00 -1.26 -5.05 105.19 108.61 1cb4 n GLY 128 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.20 4.30 0.18 1.61 2.20 -1.26 -5.03 114.94 114.73 1cb4 s ASN 129 Ca 0.00 -1.41 -0.09 0.00 -0.94 0.00 0.00 52.86 50.42 1cb4 s ASN 129 Cb 0.00 0.21 0.08 0.00 -2.00 0.00 0.00 41.25 39.54 1cb4 s ASN 129 CO 0.00 -0.82 1.66 -0.08 -2.94 0.00 0.00 177.10 174.92 1cb4 h GLU 130 N 1.24 1.06 -0.79 3.55 4.81 -2.00 -2.85 114.58 119.61 1cb4 h GLU 130 Ca -0.42 -0.30 0.14 0.00 -0.13 0.00 0.00 59.36 58.65 1cb4 h GLU 130 Cb 1.29 -0.12 -0.09 0.00 0.63 0.00 0.00 28.75 30.46 1cb4 h GLU 130 CO 0.70 1.00 0.36 1.49 -0.73 0.00 0.00 179.01 181.83 1cb4 h GLU 131 N 0.97 0.51 -1.02 1.92 4.57 -2.01 -0.12 114.58 119.41 1cb4 h GLU 131 Ca 0.19 -0.03 0.27 0.00 -1.18 0.00 0.00 59.36 58.61 1cb4 h GLU 131 Cb 0.48 -0.11 -0.13 0.00 -0.16 0.00 0.00 28.75 28.82 1cb4 h GLU 131 CO 0.02 0.34 0.60 1.03 -1.18 0.00 0.00 179.01 179.82 1cb4 h SER 132 N 0.52 0.60 0.38 1.04 0.87 -1.84 -0.62 113.55 114.49 1cb4 h SER 132 Ca 0.43 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 61.14 1cb4 h SER 132 Cb 0.63 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1cb4 h SER 132 CO -0.38 0.03 -0.02 0.35 -0.53 0.00 0.00 176.83 176.27 1cb4 n THR 133 N -4.90 0.00 -0.06 2.23 -2.24 -0.07 -1.55 114.28 107.70 1cb4 n THR 133 Ca 0.28 -0.02 -0.11 0.00 -2.27 0.00 0.00 64.05 61.93 1cb4 n THR 133 Cb 0.85 -0.40 -0.04 0.00 -2.10 0.00 0.00 70.33 68.63 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 -1.12 0.24 0.00 -0.78 5.02 -0.62 -1.05 118.16 119.85 1cb4 n LYS 134 Ca 0.17 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 1cb4 n LYS 134 Cb 0.22 -0.95 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 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 -3.40 0.00 -1.37 -0.18 -2.24 -0.34 -4.68 114.28 102.07 1cb4 n THR 135 Ca -0.22 -0.30 -0.13 0.00 -2.27 0.00 0.00 64.05 61.13 1cb4 n THR 135 Cb 0.66 1.26 -0.05 0.00 -2.10 0.00 0.00 70.33 70.10 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 0.21 1.36 2.51 3.38 0.00 -0.59 -2.57 105.19 109.49 1cb4 n GLY 136 Ca 0.00 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.19 -5.06 0.00 1.61 3.02 -1.26 -1.21 115.26 112.18 1cb4 n ASN 137 Ca -0.13 0.03 0.12 0.00 -0.03 0.00 0.00 54.58 54.57 1cb4 n ASN 137 Cb 0.44 -4.22 0.64 0.00 -0.61 0.00 0.00 39.78 36.02 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 -2.30 2.28 -0.28 5.41 0.00 -1.06 -4.75 120.51 119.81 1cb4 n ALA 138 Ca -0.19 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1cb4 n ALA 138 Cb 0.65 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 0.77 -0.01 3.86 0.00 0.00 -1.26 -1.35 105.19 107.20 1cb4 n GLY 139 Ca 0.13 -0.97 -0.31 0.00 0.00 0.00 0.00 46.02 44.86 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 6.19 -0.56 1.61 1.04 -1.26 -4.65 113.70 112.06 1cb4 s SER 140 Ca 0.00 1.48 -0.23 0.00 0.48 0.00 0.00 55.95 57.68 1cb4 s SER 140 Cb 0.00 -2.48 0.05 0.00 0.10 0.00 0.00 66.02 63.69 1cb4 s SER 140 CO 0.00 -0.90 0.90 -0.13 0.98 0.00 0.00 173.24 174.09 1cb4 s ARG 141 N -4.94 3.26 0.16 4.02 0.52 -1.26 0.04 118.95 120.75 1cb4 s ARG 141 Ca 0.56 -0.46 -0.00 0.00 -0.52 0.00 0.00 55.73 55.31 1cb4 s ARG 141 Cb -0.11 -4.09 0.01 0.00 0.52 0.00 0.00 34.95 31.28 1cb4 s ARG 141 CO 0.50 -1.50 1.39 -0.07 0.02 0.00 0.00 175.30 175.63 1cb4 h LEU 142 N 10.84 0.40 -7.00 2.53 3.38 -1.50 -3.48 115.31 120.49 1cb4 h LEU 142 Ca -0.27 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1cb4 h LEU 142 Cb 1.08 -0.12 -0.19 0.00 0.09 0.00 0.00 40.66 41.51 1cb4 h LEU 142 CO 1.09 1.06 0.33 0.00 0.09 0.00 0.00 178.44 181.01 1cb4 s ALA 143 N -3.39 -1.81 0.22 1.53 0.00 -1.23 -4.14 121.76 112.94 1cb4 s ALA 143 Ca -0.05 1.32 -0.21 0.00 0.00 0.00 0.00 51.96 53.02 1cb4 s ALA 143 Cb 0.10 -0.13 0.04 0.00 0.00 0.00 0.00 23.12 23.13 1cb4 s ALA 143 CO 0.84 -0.40 0.65 0.00 0.00 0.00 0.00 175.76 176.84 1cb4 s GLY 145 N -2.85 -0.57 0.09 0.00 0.00 -0.94 -1.60 107.32 101.45 1cb4 s GLY 145 Ca 0.07 0.98 -0.30 0.00 0.00 0.00 0.00 44.72 45.47 1cb4 s GLY 145 CO -0.02 0.57 1.04 0.14 0.00 0.00 0.00 173.10 174.83 1cb4 s VAL 146 N -2.45 4.34 -0.23 1.40 1.01 -1.26 -1.98 120.40 121.23 1cb4 s VAL 146 Ca -0.04 1.84 -0.29 0.00 0.00 0.00 0.00 61.98 63.49 1cb4 s VAL 146 Cb -0.01 -4.18 0.01 0.00 0.00 0.00 0.00 36.38 32.20 1cb4 s VAL 146 CO -0.02 0.23 1.11 -0.63 0.00 0.00 0.00 175.10 175.79 1cb4 s ILE 147 N 0.37 4.54 0.30 2.22 1.01 0.29 -4.48 121.20 125.46 1cb4 s ILE 147 Ca 0.51 1.84 0.10 0.00 0.00 0.00 0.00 60.65 63.10 1cb4 s ILE 147 Cb -0.25 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 37.92 1cb4 s ILE 147 CO 0.31 -0.23 -0.07 -0.83 0.00 0.00 0.00 174.94 174.12 1cb4 s GLY 148 N 1.52 1.90 0.15 6.18 0.00 0.01 0.12 107.32 117.19 1cb4 s GLY 148 Ca 0.47 -1.85 -0.30 0.00 0.00 0.00 0.00 44.72 43.03 1cb4 s GLY 148 CO 0.10 -1.88 1.29 -0.42 0.00 0.00 0.00 173.10 172.19 1cb4 s ILE 149 N -2.47 3.44 0.33 0.90 1.01 -1.26 -0.51 121.20 122.64 1cb4 s ILE 149 Ca 0.32 1.12 0.09 0.00 0.00 0.00 0.00 60.65 62.18 1cb4 s ILE 149 Cb -0.03 -3.72 -0.06 0.00 0.01 0.00 0.00 42.46 38.66 1cb4 s ILE 149 CO 0.18 0.14 -0.03 0.00 0.00 0.00 0.00 174.94 175.23 1cb4 s ALA 150 N 0.47 3.12 -2.18 9.38 0.00 -0.60 -4.77 121.76 127.18 1cb4 s ALA 150 Ca 0.58 -1.97 0.31 0.00 0.00 0.00 0.00 51.96 50.87 1cb4 s ALA 150 Cb -0.35 -0.31 1.60 0.00 0.00 0.00 0.00 23.12 24.06 1cb4 s ALA 150 CO 0.34 0.09 2.06 1.17 0.00 0.00 0.00 175.76 179.42