#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ct4 n SER 2 N 0.00 0.82 -0.04 1.61 2.88 -1.26 -4.78 113.62 112.84 2ct4 n SER 2 Ca 0.00 0.13 -0.00 0.00 -1.33 0.00 0.00 58.87 57.67 2ct4 n SER 2 Cb 0.00 -0.31 -0.00 0.00 -0.75 0.00 0.00 64.21 63.15 2ct4 n SER 2 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2ct4 h SER 3 N -0.31 0.00 -3.65 -3.46 0.02 -2.09 -3.44 113.55 100.62 2ct4 h SER 3 Ca -0.16 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.10 2ct4 h SER 3 Cb 0.96 0.00 -0.35 0.00 0.14 0.00 0.00 62.40 63.15 2ct4 h SER 3 CO -0.10 0.42 -0.65 -0.83 -1.14 0.00 0.00 176.83 174.53 2ct4 s GLY 4 N -3.32 1.88 -0.08 -3.77 0.00 -1.26 -5.09 107.32 95.67 2ct4 s GLY 4 Ca -0.00 -2.22 -0.05 0.00 0.00 0.00 0.00 44.72 42.44 2ct4 s GLY 4 CO 0.00 0.87 0.14 -0.45 0.00 0.00 0.00 173.10 173.66 2ct4 s SER 5 N 1.39 6.25 -1.01 1.64 0.15 -1.26 -4.75 113.70 116.11 2ct4 s SER 5 Ca 0.03 0.39 -0.24 0.00 0.70 0.00 0.00 55.95 56.84 2ct4 s SER 5 Cb -0.21 -1.98 -0.08 0.00 -1.71 0.00 0.00 66.02 62.05 2ct4 s SER 5 CO -0.04 0.36 1.98 -0.44 1.20 0.00 0.00 173.24 176.30 2ct4 s SER 6 N -1.28 4.93 -1.18 5.45 0.01 -1.26 -4.86 113.70 115.52 2ct4 s SER 6 Ca 0.18 -1.01 -0.09 0.00 1.31 0.00 0.00 55.95 56.34 2ct4 s SER 6 Cb -0.12 -2.57 0.23 0.00 0.21 0.00 0.00 66.02 63.76 2ct4 s SER 6 CO 0.08 -3.04 1.54 0.61 0.41 0.00 0.00 173.24 172.84 2ct4 n GLY 7 N 6.43 4.46 0.91 3.44 0.00 -1.26 -4.51 105.19 114.66 2ct4 n GLY 7 Ca 0.42 -2.32 0.01 0.00 0.00 0.00 0.00 46.02 44.14 2ct4 n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ct4 n GLY 8 N 2.67 0.74 3.34 -0.02 0.00 -1.26 -4.99 105.19 105.67 2ct4 n GLY 8 Ca 0.33 -0.31 -0.56 0.00 0.00 0.00 0.00 46.02 45.48 2ct4 n GLY 8 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2ct4 n HIS 9 N 0.18 0.53 -4.04 1.61 -0.00 -1.26 -4.41 115.22 107.82 2ct4 n HIS 9 Ca -0.01 1.01 -0.07 0.00 -0.00 0.00 0.00 57.72 58.65 2ct4 n HIS 9 Cb 0.84 -1.99 -0.09 0.00 -0.00 0.00 0.00 29.99 28.75 2ct4 n HIS 9 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2ct4 s VAL 11 N -3.80 0.56 0.13 0.00 -7.23 -1.06 -1.60 120.40 107.40 2ct4 s VAL 11 Ca 0.06 -0.28 -0.33 0.00 -1.81 0.00 0.00 61.98 59.62 2ct4 s VAL 11 Cb 0.07 -0.49 -0.13 0.00 0.56 0.00 0.00 36.38 36.39 2ct4 s VAL 11 CO -0.10 0.17 1.68 0.00 -0.31 0.00 0.00 175.10 176.54 2ct4 n ALA 12 N 3.09 1.65 0.02 1.32 0.00 -0.76 -2.04 120.51 123.79 2ct4 n ALA 12 Ca -0.15 0.40 -0.21 0.00 0.00 0.00 0.00 53.44 53.48 2ct4 n ALA 12 Cb 0.56 -2.43 -0.14 0.00 0.00 0.00 0.00 19.45 17.44 2ct4 n ALA 12 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2ct4 h ILE 13 N 4.05 1.17 -3.99 0.00 2.04 -1.65 0.52 117.51 119.65 2ct4 h ILE 13 Ca -0.45 -2.43 -0.40 0.00 1.00 0.00 0.00 64.86 62.58 2ct4 h ILE 13 Cb 1.24 2.84 -0.23 0.00 -0.74 0.00 0.00 36.82 39.93 2ct4 h ILE 13 CO 0.92 0.70 -0.78 -0.31 0.00 0.00 0.00 178.15 178.68 2ct4 s TYR 14 N -2.46 1.08 -0.57 1.37 2.02 -1.26 -4.44 117.35 113.09 2ct4 s TYR 14 Ca -0.18 -0.40 -0.30 0.00 -0.37 0.00 0.00 57.07 55.81 2ct4 s TYR 14 Cb 0.03 -0.63 -0.12 0.00 -0.40 0.00 0.00 41.96 40.84 2ct4 s TYR 14 CO 0.78 0.02 2.41 1.58 -1.57 0.00 0.00 175.55 178.77 2ct4 n HIS 15 N 1.67 1.27 -4.27 2.71 -0.00 -1.26 -4.65 115.22 110.69 2ct4 n HIS 15 Ca -0.20 0.23 -0.34 0.00 0.46 0.00 0.00 57.72 57.87 2ct4 n HIS 15 Cb 0.55 -2.54 -0.14 0.00 -0.12 0.00 0.00 29.99 27.74 2ct4 n HIS 15 CO 0.00 0.00 0.00 0.12 0.46 0.00 0.00 176.34 176.92 2ct4 s PHE 16 N 9.68 2.90 -0.09 1.57 2.19 -1.17 -5.00 117.98 128.05 2ct4 s PHE 16 Ca 1.12 -0.84 -0.12 0.00 0.33 0.00 0.00 56.93 57.42 2ct4 s PHE 16 Cb -0.69 -1.99 -0.05 0.00 -1.31 0.00 0.00 43.02 38.99 2ct4 s PHE 16 CO 0.40 -0.41 0.29 -1.83 1.83 0.00 0.00 175.22 175.50 2ct4 s GLU 17 N 0.97 3.88 -0.74 10.12 -1.05 -1.26 -0.98 118.70 129.64 2ct4 s GLU 17 Ca -0.01 0.14 0.04 0.00 -0.15 0.00 0.00 54.97 54.99 2ct4 s GLU 17 Cb -0.15 -3.28 0.18 0.00 -0.44 0.00 0.00 34.13 30.45 2ct4 s GLU 17 CO -0.00 0.58 0.55 0.20 0.95 0.00 0.00 175.26 177.53 2ct4 s GLY 18 N -0.58 2.98 -0.15 -3.83 0.00 -1.10 -4.80 107.32 99.84 2ct4 s GLY 18 Ca 0.19 -3.86 -0.19 0.00 0.00 0.00 0.00 44.72 40.86 2ct4 s GLY 18 CO 0.07 1.10 0.35 0.23 0.00 0.00 0.00 173.10 174.86 2ct4 h SER 19 N 5.48 0.00 -1.66 1.64 0.87 -1.89 -3.36 113.55 114.63 2ct4 h SER 19 Ca 0.15 -0.54 -0.58 0.00 -1.23 0.00 0.00 61.79 59.59 2ct4 h SER 19 Cb 0.76 0.00 0.15 0.00 -0.44 0.00 0.00 62.40 62.87 2ct4 h SER 19 CO 0.75 0.99 -0.94 -1.20 -0.53 0.00 0.00 176.83 175.89 2ct4 n SER 20 N -4.60 -2.90 -4.54 6.23 7.64 -1.26 -4.59 113.62 109.60 2ct4 n SER 20 Ca -0.13 0.72 -0.34 0.00 1.01 0.00 0.00 58.87 60.13 2ct4 n SER 20 Cb 0.40 -0.82 -0.05 0.00 -1.01 0.00 0.00 64.21 62.73 2ct4 n SER 20 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2ct4 n GLU 21 N 1.30 0.84 0.00 1.43 2.13 -1.26 -1.96 120.64 123.11 2ct4 n GLU 21 Ca 0.10 -0.09 0.00 0.00 0.66 0.00 0.00 57.16 57.83 2ct4 n GLU 21 Cb 0.39 -3.18 0.00 0.00 0.27 0.00 0.00 31.44 28.92 2ct4 n GLU 21 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ct4 n GLY 22 N 6.14 3.45 3.52 8.31 0.00 -1.26 -5.06 105.19 120.28 2ct4 n GLY 22 Ca 0.42 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 2ct4 n GLY 22 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ct4 n THR 23 N 0.00 2.47 -4.39 2.61 -2.24 -0.83 -3.27 114.28 108.63 2ct4 n THR 23 Ca 0.00 -0.44 -0.24 0.00 -2.27 0.00 0.00 64.05 61.09 2ct4 n THR 23 Cb 0.00 -0.85 -0.11 0.00 -2.10 0.00 0.00 70.33 67.27 2ct4 n THR 23 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2ct4 s ILE 24 N -1.76 2.15 -0.09 2.28 2.07 -1.26 -4.46 121.20 120.14 2ct4 s ILE 24 Ca 0.70 -2.05 -0.05 0.00 -1.41 0.00 0.00 60.65 57.83 2ct4 s ILE 24 Cb -0.39 -2.05 -0.04 0.00 0.13 0.00 0.00 42.46 40.12 2ct4 s ILE 24 CO 0.53 -0.25 0.12 -0.94 -1.91 0.00 0.00 174.94 172.49 2ct4 s SER 25 N -2.82 6.11 0.06 4.50 1.04 -1.26 -2.71 113.70 118.62 2ct4 s SER 25 Ca 0.20 0.36 0.01 0.00 0.48 0.00 0.00 55.95 57.00 2ct4 s SER 25 Cb -0.06 -1.91 -0.04 0.00 0.10 0.00 0.00 66.02 64.11 2ct4 s SER 25 CO 0.09 0.37 -0.05 0.00 0.98 0.00 0.00 173.24 174.63 2ct4 s MET 26 N -1.20 0.63 0.00 4.02 0.23 -0.15 -4.90 119.30 117.94 2ct4 s MET 26 Ca 0.17 -1.10 -0.03 0.00 -1.03 0.00 0.00 55.69 53.70 2ct4 s MET 26 Cb -0.12 -0.03 -0.04 0.00 -1.53 0.00 0.00 34.83 33.11 2ct4 s MET 26 CO 0.07 -0.04 0.20 0.00 -2.03 0.00 0.00 175.02 173.22 2ct4 s ALA 27 N -3.07 3.94 -0.41 3.16 0.00 -1.26 -3.07 121.76 121.06 2ct4 s ALA 27 Ca 0.03 -0.74 -0.31 0.00 0.00 0.00 0.00 51.96 50.94 2ct4 s ALA 27 Cb 0.02 -1.91 -0.10 0.00 0.00 0.00 0.00 23.12 21.12 2ct4 s ALA 27 CO -0.05 0.74 2.29 -1.91 0.00 0.00 0.00 175.76 176.83 2ct4 n GLU 28 N 0.89 1.17 -1.51 0.00 2.13 -1.26 -0.75 120.64 121.30 2ct4 n GLU 28 Ca -0.10 0.26 0.00 0.00 0.66 0.00 0.00 57.16 57.97 2ct4 n GLU 28 Cb 0.52 -2.76 0.00 0.00 0.27 0.00 0.00 31.44 29.47 2ct4 n GLU 28 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ct4 n GLY 29 N 6.26 0.95 3.80 8.31 0.00 0.18 -4.99 105.19 119.69 2ct4 n GLY 29 Ca 0.40 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 2ct4 n GLY 29 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ct4 s GLU 30 N -3.18 3.26 0.32 1.61 2.56 0.07 -4.87 118.70 118.47 2ct4 s GLU 30 Ca 0.00 -0.24 -0.28 0.00 0.00 0.00 0.00 54.97 54.45 2ct4 s GLU 30 Cb 0.00 -3.03 -0.09 0.00 2.00 0.00 0.00 34.13 33.00 2ct4 s GLU 30 CO 0.00 0.75 1.15 -0.51 -0.56 0.00 0.00 175.26 176.09 2ct4 s ASP 31 N -0.98 6.99 0.03 -1.70 1.01 -1.26 -1.83 116.67 118.94 2ct4 s ASP 31 Ca 0.14 2.36 -0.03 0.00 0.71 0.00 0.00 52.55 55.73 2ct4 s ASP 31 Cb -0.12 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.17 2ct4 s ASP 31 CO 0.03 -0.34 0.04 -0.76 0.21 0.00 0.00 175.17 174.35 2ct4 s LEU 32 N -1.79 2.02 -0.38 1.23 1.43 -0.63 -4.73 118.68 115.83 2ct4 s LEU 32 Ca 0.49 -0.58 -0.14 0.00 -1.03 0.00 0.00 54.13 52.86 2ct4 s LEU 32 Cb -0.33 0.41 0.00 0.00 0.03 0.00 0.00 46.19 46.30 2ct4 s LEU 32 CO 0.42 -0.46 0.29 -0.44 0.23 0.00 0.00 176.35 176.39 2ct4 s SER 33 N -2.04 6.10 -0.47 2.29 0.01 -0.37 -3.44 113.70 115.79 2ct4 s SER 33 Ca -0.06 -0.62 -0.28 0.00 1.31 0.00 0.00 55.95 56.30 2ct4 s SER 33 Cb -0.02 -2.16 -0.01 0.00 0.21 0.00 0.00 66.02 64.03 2ct4 s SER 33 CO -0.04 -0.36 1.74 -0.22 0.41 0.00 0.00 173.24 174.77 2ct4 s LEU 34 N 1.76 3.43 -0.22 2.44 1.98 -1.26 -0.88 118.68 125.92 2ct4 s LEU 34 Ca 0.07 0.80 -0.17 0.00 -2.89 0.00 0.00 54.13 51.94 2ct4 s LEU 34 Cb -0.18 -3.10 -0.12 0.00 0.66 0.00 0.00 46.19 43.44 2ct4 s LEU 34 CO 0.11 -1.93 -0.13 0.23 -1.89 0.00 0.00 176.35 172.73 2ct4 n MET 35 N 8.69 0.55 -4.85 1.98 2.81 -1.10 -4.76 117.12 120.44 2ct4 n MET 35 Ca 0.20 0.40 -0.31 0.00 -1.81 0.00 0.00 57.70 56.18 2ct4 n MET 35 Cb 0.49 -1.60 -0.13 0.00 -0.71 0.00 0.00 33.22 31.27 2ct4 n MET 35 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2ct4 s GLU 36 N -2.48 2.23 0.16 0.03 8.01 -1.18 -5.04 118.70 120.43 2ct4 s GLU 36 Ca -0.31 -0.87 -0.00 0.00 0.01 0.00 0.00 54.97 53.80 2ct4 s GLU 36 Cb 0.09 -2.23 -0.04 0.00 -4.31 0.00 0.00 34.13 27.63 2ct4 s GLU 36 CO 0.48 0.57 0.33 -1.21 0.01 0.00 0.00 175.26 175.45 2ct4 s GLU 37 N -1.05 3.49 -0.26 1.61 0.41 -1.26 -3.22 118.70 118.42 2ct4 s GLU 37 Ca 0.13 -0.41 -0.14 0.00 -0.41 0.00 0.00 54.97 54.14 2ct4 s GLU 37 Cb -0.10 -2.91 -0.04 0.00 -1.78 0.00 0.00 34.13 29.30 2ct4 s GLU 37 CO 0.03 0.47 0.33 0.16 -0.49 0.00 0.00 175.26 175.75 2ct4 s ASP 38 N -3.02 6.22 -0.50 -0.19 -4.77 -1.25 -4.90 116.67 108.26 2ct4 s ASP 38 Ca 0.37 0.25 -0.08 0.00 -3.30 0.00 0.00 52.55 49.79 2ct4 s ASP 38 Cb -0.11 -2.19 0.13 0.00 -1.09 0.00 0.00 42.92 39.66 2ct4 s ASP 38 CO 0.28 -0.12 0.36 -0.54 0.70 0.00 0.00 175.17 175.85 2ct4 s LYS 39 N 1.83 2.48 -1.18 2.11 1.02 -1.26 -4.65 119.74 120.08 2ct4 s LYS 39 Ca 0.13 -1.90 -0.05 0.00 0.02 0.00 0.00 55.97 54.17 2ct4 s LYS 39 Cb -0.15 -3.88 0.04 0.00 -0.52 0.00 0.00 37.83 33.31 2ct4 s LYS 39 CO 0.09 -1.18 0.31 0.41 -0.92 0.00 0.00 175.35 174.06 2ct4 n GLY 40 N 4.65 -0.49 0.00 -3.33 0.00 -1.26 -4.76 105.19 100.00 2ct4 n GLY 40 Ca -0.04 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2ct4 n GLY 40 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ct4 n ASP 41 N -2.11 3.62 0.00 1.61 2.03 -1.26 -5.03 116.55 115.41 2ct4 n ASP 41 Ca -0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.24 2ct4 n ASP 41 Cb 0.57 0.21 0.00 0.00 -0.72 0.00 0.00 41.12 41.18 2ct4 n ASP 41 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ct4 n GLY 42 N 2.78 0.73 3.30 0.27 0.00 -1.26 -5.04 105.19 105.97 2ct4 n GLY 42 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2ct4 n GLY 42 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ct4 s TRP 43 N -2.35 2.97 -0.09 1.61 0.52 -1.26 -1.22 118.94 119.13 2ct4 s TRP 43 Ca 0.00 -1.00 0.03 0.00 0.02 0.00 0.00 56.10 55.15 2ct4 s TRP 43 Cb 0.00 -2.10 0.01 0.00 -1.15 0.00 0.00 33.47 30.22 2ct4 s TRP 43 CO 0.00 -0.57 -0.19 0.99 0.02 0.00 0.00 176.95 177.20 2ct4 s THR 44 N 1.46 1.64 -0.04 2.01 2.01 0.67 -3.81 115.64 119.58 2ct4 s THR 44 Ca 0.05 -0.77 -0.11 0.00 0.31 0.00 0.00 61.69 61.17 2ct4 s THR 44 Cb -0.15 -1.44 -0.05 0.00 0.01 0.00 0.00 72.50 70.87 2ct4 s THR 44 CO -0.03 0.47 0.31 -0.60 -0.69 0.00 0.00 174.62 174.07 2ct4 s ARG 45 N 0.51 3.73 0.05 4.92 3.52 -1.20 -0.70 118.95 129.79 2ct4 s ARG 45 Ca -0.16 0.19 -0.02 0.00 -0.13 0.00 0.00 55.73 55.61 2ct4 s ARG 45 Cb -0.17 -3.20 -0.03 0.00 -1.56 0.00 0.00 34.95 29.99 2ct4 s ARG 45 CO 0.06 0.72 0.00 0.14 -0.81 0.00 0.00 175.30 175.41 2ct4 s VAL 46 N -1.08 0.20 0.07 7.11 -7.23 -1.21 -2.72 120.40 115.54 2ct4 s VAL 46 Ca 0.21 -1.63 0.06 0.00 -1.81 0.00 0.00 61.98 58.82 2ct4 s VAL 46 Cb -0.15 -1.37 -0.04 0.00 0.56 0.00 0.00 36.38 35.38 2ct4 s VAL 46 CO 0.10 -0.90 -0.10 -0.60 -0.31 0.00 0.00 175.10 173.30 2ct4 s ARG 47 N -3.66 2.24 -0.05 4.82 3.52 -0.06 -3.45 118.95 122.31 2ct4 s ARG 47 Ca 0.04 -0.94 -0.03 0.00 -0.13 0.00 0.00 55.73 54.67 2ct4 s ARG 47 Cb 0.06 -2.35 -0.04 0.00 -1.56 0.00 0.00 34.95 31.06 2ct4 s ARG 47 CO -0.09 0.53 0.09 1.03 -0.81 0.00 0.00 175.30 176.05 2ct4 s ARG 48 N -1.94 3.19 0.34 5.12 0.52 -0.01 -1.23 118.95 124.94 2ct4 s ARG 48 Ca 0.20 -0.35 0.14 0.00 -0.52 0.00 0.00 55.73 55.20 2ct4 s ARG 48 Cb -0.11 -2.96 1.12 0.00 0.52 0.00 0.00 34.95 33.52 2ct4 s ARG 48 CO 0.12 0.70 1.60 0.87 0.02 0.00 0.00 175.30 178.60 2ct4 h LYS 49 N 4.53 0.07 0.40 3.54 1.57 -1.91 -1.11 116.57 123.67 2ct4 h LYS 49 Ca -0.51 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.25 2ct4 h LYS 49 Cb 1.20 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2ct4 h LYS 49 CO 0.60 0.05 -0.19 0.93 -0.57 0.00 0.00 179.45 180.27 2ct4 h GLU 50 N 0.08 -0.51 0.00 3.15 4.39 -1.99 -3.47 114.58 116.22 2ct4 h GLU 50 Ca 0.75 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.49 2ct4 h GLU 50 Cb 1.83 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 30.60 2ct4 h GLU 50 CO -0.77 -0.34 0.00 0.41 -1.16 0.00 0.00 179.01 177.15 2ct4 n GLY 51 N -0.63 0.00 3.43 -3.84 0.00 -0.42 -5.16 105.19 98.57 2ct4 n GLY 51 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 2ct4 n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ct4 s GLY 52 N 0.00 1.61 0.04 -0.02 0.00 -1.25 -4.90 107.32 102.81 2ct4 s GLY 52 Ca 0.00 -0.87 0.05 0.00 0.00 0.00 0.00 44.72 43.90 2ct4 s GLY 52 CO 0.00 -0.20 -0.13 -0.54 0.00 0.00 0.00 173.10 172.22 2ct4 s GLU 53 N 0.23 0.89 -0.21 2.90 2.02 -1.26 -0.83 118.70 122.44 2ct4 s GLU 53 Ca -0.06 -0.74 -0.35 0.00 0.02 0.00 0.00 54.97 53.83 2ct4 s GLU 53 Cb -0.15 -0.88 0.14 0.00 0.10 0.00 0.00 34.13 33.34 2ct4 s GLU 53 CO 0.04 0.22 1.24 0.20 0.02 0.00 0.00 175.26 176.98 2ct4 s GLY 54 N -1.14 -0.26 -0.51 -1.39 0.00 -1.22 -4.57 107.32 98.23 2ct4 s GLY 54 Ca 0.01 1.73 -0.28 0.00 0.00 0.00 0.00 44.72 46.18 2ct4 s GLY 54 CO 0.01 0.59 1.12 -0.19 0.00 0.00 0.00 173.10 174.63 2ct4 s TYR 55 N -2.25 2.76 0.14 1.90 2.02 -1.20 -3.32 117.35 117.39 2ct4 s TYR 55 Ca 0.10 0.54 0.05 0.00 -0.37 0.00 0.00 57.07 57.38 2ct4 s TYR 55 Cb -0.01 -4.39 -0.04 0.00 -0.40 0.00 0.00 41.96 37.12 2ct4 s TYR 55 CO -0.04 -1.36 0.07 0.14 -1.57 0.00 0.00 175.55 172.78 2ct4 s VAL 56 N 4.51 4.22 -0.21 0.71 -7.23 0.13 -4.41 120.40 118.12 2ct4 s VAL 56 Ca 0.44 -1.09 -0.29 0.00 -1.81 0.00 0.00 61.98 59.23 2ct4 s VAL 56 Cb -0.08 -3.09 -0.03 0.00 0.56 0.00 0.00 36.38 33.74 2ct4 s VAL 56 CO 0.28 -0.02 1.60 -2.16 -0.31 0.00 0.00 175.10 174.50 2ct4 s PRO 57 N -2.77 3.84 0.36 4.82 0.04 -1.26 -0.24 135.00 139.80 2ct4 s PRO 57 Ca 0.29 1.70 0.18 0.00 0.04 0.00 0.00 61.00 63.20 2ct4 s PRO 57 Cb -0.11 -4.02 1.15 0.00 0.04 0.00 0.00 34.50 31.56 2ct4 s PRO 57 CO 0.21 -1.23 1.67 1.15 0.04 0.00 0.00 177.00 178.83 2ct4 h THR 58 N 6.07 0.29 -1.04 1.26 2.02 -1.47 0.52 112.91 120.56 2ct4 h THR 58 Ca -0.34 -0.10 0.26 0.00 0.77 0.00 0.00 66.41 67.01 2ct4 h THR 58 Cb 1.15 -0.02 -0.10 0.00 -1.74 0.00 0.00 68.15 67.44 2ct4 h THR 58 CO 1.00 0.05 0.66 0.28 0.37 0.00 0.00 175.52 177.88 2ct4 h SER 59 N 0.29 0.50 -0.53 4.18 0.02 -1.90 0.79 113.55 116.90 2ct4 h SER 59 Ca 0.73 0.10 -0.25 0.00 -0.84 0.00 0.00 61.79 61.53 2ct4 h SER 59 Cb 1.80 0.02 -0.15 0.00 0.14 0.00 0.00 62.40 64.21 2ct4 h SER 59 CO -0.54 0.09 0.32 -1.22 -1.14 0.00 0.00 176.83 174.33 2ct4 n TYR 60 N -4.69 1.68 -4.04 3.45 4.02 0.18 -4.82 117.16 112.94 2ct4 n TYR 60 Ca 0.26 -1.13 -0.21 0.00 -0.01 0.00 0.00 57.90 56.81 2ct4 n TYR 60 Cb 0.86 -0.60 -0.17 0.00 -0.02 0.00 0.00 39.34 39.41 2ct4 n TYR 60 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2ct4 s LEU 61 N -1.84 1.14 -0.27 7.72 1.43 0.28 -1.77 118.68 125.35 2ct4 s LEU 61 Ca 0.33 -0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 53.30 2ct4 s LEU 61 Cb 0.27 -0.43 0.04 0.00 0.03 0.00 0.00 46.19 46.10 2ct4 s LEU 61 CO 0.07 -0.09 -0.04 -0.60 0.23 0.00 0.00 176.35 175.92 2ct4 s ARG 62 N 1.19 2.55 0.24 1.70 3.52 -0.86 -4.92 118.95 122.37 2ct4 s ARG 62 Ca -0.07 -1.17 -0.31 0.00 -0.13 0.00 0.00 55.73 54.05 2ct4 s ARG 62 Cb -0.14 -3.06 -0.12 0.00 -1.56 0.00 0.00 34.95 30.07 2ct4 s ARG 62 CO -0.02 -0.53 1.64 0.28 -0.81 0.00 0.00 175.30 175.87 2ct4 n VAL 63 N 4.61 0.43 -2.80 7.11 0.31 -1.26 -2.55 118.33 124.18 2ct4 n VAL 63 Ca -0.15 -0.11 -0.36 0.00 -0.01 0.00 0.00 64.34 63.72 2ct4 n VAL 63 Cb 0.45 -1.89 -0.07 0.00 -0.91 0.00 0.00 33.84 31.41 2ct4 n VAL 63 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2ct4 s THR 64 N 0.64 4.27 0.23 2.52 -4.23 -0.80 -4.96 115.64 113.31 2ct4 s THR 64 Ca 0.71 1.72 -0.30 0.00 -1.18 0.00 0.00 61.69 62.64 2ct4 s THR 64 Cb -0.53 -3.88 -0.09 0.00 1.34 0.00 0.00 72.50 69.34 2ct4 s THR 64 CO 0.40 -0.00 1.29 -0.44 -0.54 0.00 0.00 174.62 175.32 2ct4 s SER 65 N -1.79 6.91 -0.36 3.99 0.01 -1.26 -4.89 113.70 116.30 2ct4 s SER 65 Ca 0.54 2.44 -0.03 0.00 1.31 0.00 0.00 55.95 60.21 2ct4 s SER 65 Cb -0.16 -2.62 0.24 0.00 0.21 0.00 0.00 66.02 63.69 2ct4 s SER 65 CO 0.20 -0.49 1.11 0.61 0.41 0.00 0.00 173.24 175.09 2ct4 n GLY 66 N 1.93 -1.50 0.00 3.44 0.00 -1.26 -5.00 105.19 102.80 2ct4 n GLY 66 Ca 0.04 1.03 0.08 0.00 0.00 0.00 0.00 46.02 47.17 2ct4 n GLY 66 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ct4 n PRO 67 N 2.13 0.44 -2.71 1.61 -0.04 -1.26 -3.75 135.00 131.42 2ct4 n PRO 67 Ca 0.08 0.03 -0.42 0.00 -0.04 0.00 0.00 63.50 63.14 2ct4 n PRO 67 Cb 0.66 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.59 2ct4 n PRO 67 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2ct4 s SER 68 N -2.10 6.46 -1.25 3.54 0.01 -1.26 -4.10 113.70 115.00 2ct4 s SER 68 Ca 0.22 -1.47 -0.05 0.00 1.31 0.00 0.00 55.95 55.96 2ct4 s SER 68 Cb 0.11 -2.50 0.01 0.00 0.21 0.00 0.00 66.02 63.85 2ct4 s SER 68 CO 0.19 -1.40 1.08 -0.24 0.41 0.00 0.00 173.24 173.28 2ct4 n SER 69 N 8.05 -4.56 -0.64 2.44 2.88 -1.26 -5.17 113.62 115.36 2ct4 n SER 69 Ca 0.22 -0.55 0.08 0.00 -1.33 0.00 0.00 58.87 57.29 2ct4 n SER 69 Cb 0.49 -4.93 0.07 0.00 -0.75 0.00 0.00 64.21 59.09 2ct4 n SER 69 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42