#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 -0.96 -4.08 1.61 3.41 -1.26 0.23 113.62 112.57 2ct4 n SER 2 Ca 0.00 -1.26 -0.34 0.00 -0.26 0.00 0.00 58.87 57.02 2ct4 n SER 2 Cb 0.00 -1.60 -0.07 0.00 -0.26 0.00 0.00 64.21 62.28 2ct4 n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2ct4 n SER 3 N -2.60 -0.84 -2.48 4.04 2.88 -1.26 -4.89 113.62 108.48 2ct4 n SER 3 Ca -0.02 -1.07 0.00 0.00 -1.33 0.00 0.00 58.87 56.45 2ct4 n SER 3 Cb 0.53 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 2ct4 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ct4 n GLY 4 N -1.39 0.83 4.50 0.46 0.00 0.13 -4.53 105.19 105.20 2ct4 n GLY 4 Ca -0.01 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 2ct4 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ct4 n SER 5 N 0.00 -1.49 -4.54 1.61 7.64 -1.26 -4.86 113.62 110.72 2ct4 n SER 5 Ca 0.00 -1.24 -0.42 0.00 1.01 0.00 0.00 58.87 58.22 2ct4 n SER 5 Cb 0.00 -1.65 -0.08 0.00 -1.01 0.00 0.00 64.21 61.47 2ct4 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2ct4 s SER 6 N -3.42 6.30 0.00 6.43 1.04 -1.26 -4.94 113.70 117.85 2ct4 s SER 6 Ca 0.71 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.97 2ct4 s SER 6 Cb -0.41 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 63.43 2ct4 s SER 6 CO 1.02 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 175.30 2ct4 n GLY 7 N 4.88 2.81 3.57 7.32 0.00 -1.26 -5.17 105.19 117.35 2ct4 n GLY 7 Ca -0.04 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 2ct4 n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ct4 s GLY 8 N 0.00 1.79 -0.19 -0.02 0.00 -1.26 -5.06 107.32 102.57 2ct4 s GLY 8 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.48 2ct4 s GLY 8 CO 0.00 -1.22 -0.17 0.30 0.00 0.00 0.00 173.10 172.01 2ct4 s HIS 9 N -1.21 2.83 -0.04 1.90 0.09 -1.26 -3.23 115.29 114.37 2ct4 s HIS 9 Ca 0.21 -1.55 -0.07 0.00 -0.00 0.00 0.00 55.06 53.66 2ct4 s HIS 9 Cb -0.11 -1.96 0.01 0.00 -0.00 0.00 0.00 32.58 30.52 2ct4 s HIS 9 CO 0.13 -0.76 0.17 0.00 -0.00 0.00 0.00 174.74 174.28 2ct4 s VAL 11 N -0.55 1.65 0.32 0.00 -7.23 -1.18 -1.47 120.40 111.93 2ct4 s VAL 11 Ca -0.06 -0.98 -0.29 0.00 -1.81 0.00 0.00 61.98 58.83 2ct4 s VAL 11 Cb -0.04 -1.39 -0.12 0.00 0.56 0.00 0.00 36.38 35.39 2ct4 s VAL 11 CO 0.01 0.38 1.43 0.00 -0.31 0.00 0.00 175.10 176.61 2ct4 n ALA 12 N 2.35 1.79 -0.06 1.32 0.00 -0.57 -1.75 120.51 123.58 2ct4 n ALA 12 Ca -0.16 0.37 -0.20 0.00 0.00 0.00 0.00 53.44 53.45 2ct4 n ALA 12 Cb 0.53 -2.34 -0.13 0.00 0.00 0.00 0.00 19.45 17.51 2ct4 n ALA 12 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2ct4 n ILE 13 N 1.10 1.63 -4.03 0.00 5.41 -0.80 0.45 119.36 123.12 2ct4 n ILE 13 Ca 0.06 -0.60 -0.10 0.00 1.00 0.00 0.00 62.75 63.11 2ct4 n ILE 13 Cb 0.36 -1.58 -0.11 0.00 -0.71 0.00 0.00 39.64 37.59 2ct4 n ILE 13 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 2ct4 s TYR 14 N -2.54 0.45 -0.17 1.39 2.02 -1.26 -4.54 117.35 112.70 2ct4 s TYR 14 Ca -0.29 -0.58 -0.37 0.00 -0.37 0.00 0.00 57.07 55.47 2ct4 s TYR 14 Cb 0.08 -0.30 -0.13 0.00 -0.40 0.00 0.00 41.96 41.21 2ct4 s TYR 14 CO 0.68 -0.16 1.83 1.58 -1.57 0.00 0.00 175.55 177.91 2ct4 n HIS 15 N 1.36 2.22 -3.77 2.71 -0.00 -1.26 -4.57 115.22 111.91 2ct4 n HIS 15 Ca -0.22 0.21 -0.28 0.00 0.46 0.00 0.00 57.72 57.89 2ct4 n HIS 15 Cb 0.56 -2.58 -0.16 0.00 -0.12 0.00 0.00 29.99 27.68 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 3.93 1.26 -0.38 1.57 5.36 -1.18 -5.01 117.98 123.53 2ct4 s PHE 16 Ca 0.95 -1.01 -0.13 0.00 -0.96 0.00 0.00 56.93 55.79 2ct4 s PHE 16 Cb -0.85 -1.12 0.02 0.00 -0.34 0.00 0.00 43.02 40.73 2ct4 s PHE 16 CO 0.58 -0.64 0.25 -2.00 -1.46 0.00 0.00 175.22 171.95 2ct4 s GLU 17 N 1.78 3.00 -0.82 10.12 2.12 -1.26 -0.35 118.70 133.28 2ct4 s GLU 17 Ca -0.02 -0.98 -0.26 0.00 0.36 0.00 0.00 54.97 54.07 2ct4 s GLU 17 Cb -0.17 -3.83 -0.11 0.00 0.26 0.00 0.00 34.13 30.27 2ct4 s GLU 17 CO -0.08 -0.67 2.28 0.20 -0.54 0.00 0.00 175.26 176.45 2ct4 s GLY 18 N 1.63 -0.55 -0.06 -1.50 0.00 -1.06 -4.75 107.32 101.04 2ct4 s GLY 18 Ca 0.04 -0.99 -0.26 0.00 0.00 0.00 0.00 44.72 43.51 2ct4 s GLY 18 CO 0.08 4.03 1.05 1.48 0.00 0.00 0.00 173.10 179.74 2ct4 h SER 19 N 12.33 0.11 -1.90 1.64 4.64 -1.90 -3.43 113.55 125.05 2ct4 h SER 19 Ca 0.03 -0.73 -0.21 0.00 -0.47 0.00 0.00 61.79 60.40 2ct4 h SER 19 Cb 1.00 -0.03 0.12 0.00 -0.31 0.00 0.00 62.40 63.18 2ct4 h SER 19 CO 1.06 0.83 -0.29 -1.20 -0.87 0.00 0.00 176.83 176.36 2ct4 n SER 20 N -4.64 -2.96 -0.04 4.97 7.64 -1.26 -4.93 113.62 112.41 2ct4 n SER 20 Ca -0.09 -0.36 -0.14 0.00 1.01 0.00 0.00 58.87 59.29 2ct4 n SER 20 Cb 0.42 -0.75 -0.11 0.00 -1.01 0.00 0.00 64.21 62.75 2ct4 n SER 20 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2ct4 h GLU 21 N -2.64 0.01 -3.23 1.43 4.81 -2.03 -3.37 114.58 109.56 2ct4 h GLU 21 Ca -0.23 -0.01 -0.79 0.00 -0.13 0.00 0.00 59.36 58.20 2ct4 h GLU 21 Cb 0.73 0.00 -0.25 0.00 0.63 0.00 0.00 28.75 29.86 2ct4 h GLU 21 CO 0.14 0.76 0.98 0.41 -0.73 0.00 0.00 179.01 180.57 2ct4 n GLY 22 N 0.94 4.84 3.41 1.92 0.00 -1.26 -4.95 105.19 110.09 2ct4 n GLY 22 Ca -0.09 -2.52 -0.11 0.00 0.00 0.00 0.00 46.02 43.30 2ct4 n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ct4 s THR 23 N -1.75 0.02 0.17 2.61 -4.23 -1.26 -4.25 115.64 106.96 2ct4 s THR 23 Ca 0.33 -0.27 0.09 0.00 -1.18 0.00 0.00 61.69 60.65 2ct4 s THR 23 Cb 0.03 -1.13 -0.04 0.00 1.34 0.00 0.00 72.50 72.70 2ct4 s THR 23 CO 0.05 -0.11 -0.18 -0.51 -0.54 0.00 0.00 174.62 173.33 2ct4 s ILE 24 N -3.78 1.86 -0.07 2.99 2.07 -1.26 -4.73 121.20 118.27 2ct4 s ILE 24 Ca 0.03 -1.96 -0.03 0.00 -1.41 0.00 0.00 60.65 57.27 2ct4 s ILE 24 Cb -0.00 -1.89 -0.04 0.00 0.13 0.00 0.00 42.46 40.67 2ct4 s ILE 24 CO -0.11 -0.33 0.08 -0.94 -1.91 0.00 0.00 174.94 171.72 2ct4 s SER 25 N -2.74 5.77 0.16 4.50 1.04 -1.26 -2.55 113.70 118.61 2ct4 s SER 25 Ca 0.17 0.26 0.01 0.00 0.48 0.00 0.00 55.95 56.87 2ct4 s SER 25 Cb -0.05 -1.73 -0.04 0.00 0.10 0.00 0.00 66.02 64.29 2ct4 s SER 25 CO 0.07 0.35 0.01 0.00 0.98 0.00 0.00 173.24 174.65 2ct4 s MET 26 N -1.21 1.04 0.00 4.02 0.23 0.53 -4.90 119.30 119.01 2ct4 s MET 26 Ca 0.17 -1.49 0.03 0.00 -1.03 0.00 0.00 55.69 53.36 2ct4 s MET 26 Cb -0.12 -0.15 -0.03 0.00 -1.53 0.00 0.00 34.83 33.00 2ct4 s MET 26 CO 0.07 -0.15 -0.04 0.00 -2.03 0.00 0.00 175.02 172.87 2ct4 s ALA 27 N -3.74 3.11 -0.22 3.16 0.00 -1.26 -3.08 121.76 119.74 2ct4 s ALA 27 Ca 0.22 -0.99 -0.38 0.00 0.00 0.00 0.00 51.96 50.81 2ct4 s ALA 27 Cb 0.06 -1.21 -0.14 0.00 0.00 0.00 0.00 23.12 21.83 2ct4 s ALA 27 CO 0.02 0.62 1.79 -1.91 0.00 0.00 0.00 175.76 176.29 2ct4 n GLU 28 N 1.51 1.49 -1.87 0.00 2.13 -1.26 -0.04 120.64 122.59 2ct4 n GLU 28 Ca -0.15 0.54 -0.06 0.00 0.66 0.00 0.00 57.16 58.15 2ct4 n GLU 28 Cb 0.53 -2.28 -0.01 0.00 0.27 0.00 0.00 31.44 29.95 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 4.26 0.31 3.83 8.31 0.00 0.17 -4.97 105.19 117.11 2ct4 n GLY 29 Ca 0.25 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.84 3.95 0.20 1.61 2.56 0.95 -4.78 118.70 119.36 2ct4 s GLU 30 Ca 0.00 0.45 -0.30 0.00 0.00 0.00 0.00 54.97 55.12 2ct4 s GLU 30 Cb 0.00 -3.21 -0.09 0.00 2.00 0.00 0.00 34.13 32.84 2ct4 s GLU 30 CO 0.00 0.68 1.27 0.16 -0.56 0.00 0.00 175.26 176.81 2ct4 s ASP 31 N -1.12 6.95 0.11 -1.70 -4.77 -1.26 -1.52 116.67 113.36 2ct4 s ASP 31 Ca 0.25 2.37 0.03 0.00 -3.30 0.00 0.00 52.55 51.90 2ct4 s ASP 31 Cb -0.17 -2.61 -0.04 0.00 -1.09 0.00 0.00 42.92 39.01 2ct4 s ASP 31 CO 0.14 -0.48 -0.09 -0.76 0.70 0.00 0.00 175.17 174.69 2ct4 s LEU 32 N -0.26 2.48 -0.39 2.11 1.43 -0.54 -4.62 118.68 118.89 2ct4 s LEU 32 Ca 0.55 -0.95 -0.03 0.00 -1.03 0.00 0.00 54.13 52.67 2ct4 s LEU 32 Cb -0.35 -0.21 0.09 0.00 0.03 0.00 0.00 46.19 45.75 2ct4 s LEU 32 CO 0.39 -0.37 0.17 -0.44 0.23 0.00 0.00 176.35 176.33 2ct4 s SER 33 N -2.89 5.23 -0.16 2.29 0.01 -0.63 -3.72 113.70 113.83 2ct4 s SER 33 Ca 0.11 -1.82 -0.39 0.00 1.31 0.00 0.00 55.95 55.16 2ct4 s SER 33 Cb 0.02 -1.82 -0.16 0.00 0.21 0.00 0.00 66.02 64.26 2ct4 s SER 33 CO -0.02 -0.48 1.57 -0.11 0.41 0.00 0.00 173.24 174.61 2ct4 n LEU 34 N 4.63 1.97 -0.01 2.44 -0.00 -1.20 -1.48 117.00 123.36 2ct4 n LEU 34 Ca -0.05 1.10 -0.01 0.00 -0.00 0.00 0.00 56.01 57.04 2ct4 n LEU 34 Cb 0.42 -1.13 -0.00 0.00 -0.00 0.00 0.00 43.42 42.70 2ct4 n LEU 34 CO 0.32 -0.72 -0.10 0.23 -0.00 0.00 0.00 177.39 177.12 2ct4 n MET 35 N 4.17 0.08 -5.01 1.96 2.81 0.98 -4.50 117.12 117.60 2ct4 n MET 35 Ca 0.24 0.03 -0.32 0.00 -1.81 0.00 0.00 57.70 55.83 2ct4 n MET 35 Cb 0.14 -0.48 -0.16 0.00 -0.71 0.00 0.00 33.22 32.00 2ct4 n MET 35 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2ct4 s GLU 36 N -1.38 3.13 0.85 0.03 2.12 -1.10 -4.95 118.70 117.39 2ct4 s GLU 36 Ca -0.04 -0.83 -0.11 0.00 0.36 0.00 0.00 54.97 54.35 2ct4 s GLU 36 Cb 0.01 -2.41 0.10 0.00 0.26 0.00 0.00 34.13 32.09 2ct4 s GLU 36 CO 0.06 0.15 1.09 -1.21 -0.54 0.00 0.00 175.26 174.82 2ct4 s GLU 37 N 0.43 1.67 -0.28 4.30 2.02 -1.26 -1.75 118.70 123.83 2ct4 s GLU 37 Ca -0.15 0.90 -0.06 0.00 0.02 0.00 0.00 54.97 55.68 2ct4 s GLU 37 Cb -0.17 -1.85 0.00 0.00 0.10 0.00 0.00 34.13 32.21 2ct4 s GLU 37 CO 0.06 -1.98 0.06 0.16 0.02 0.00 0.00 175.26 173.59 2ct4 s ASP 38 N -3.48 5.02 -0.57 -0.19 1.47 -1.24 -4.77 116.67 112.92 2ct4 s ASP 38 Ca 0.62 -0.59 -0.06 0.00 1.18 0.00 0.00 52.55 53.71 2ct4 s ASP 38 Cb -0.17 -1.87 0.15 0.00 -0.34 0.00 0.00 42.92 40.69 2ct4 s ASP 38 CO 0.56 -0.14 0.41 -0.54 0.68 0.00 0.00 175.17 176.14 2ct4 s LYS 39 N 1.51 2.57 -1.98 2.11 -0.14 -1.26 -4.63 119.74 117.92 2ct4 s LYS 39 Ca 0.04 -2.18 0.00 0.00 -1.36 0.00 0.00 55.97 52.47 2ct4 s LYS 39 Cb -0.16 -3.85 0.00 0.00 -1.68 0.00 0.00 37.83 32.14 2ct4 s LYS 39 CO 0.02 -1.18 0.00 0.41 -0.76 0.00 0.00 175.35 173.84 2ct4 n GLY 40 N 4.16 1.78 0.02 -3.33 0.00 -1.26 -4.76 105.19 101.79 2ct4 n GLY 40 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 2ct4 n GLY 40 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ct4 n ASP 41 N -1.29 3.90 -0.07 1.61 5.68 -1.26 -5.01 116.55 120.11 2ct4 n ASP 41 Ca -0.19 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.09 2ct4 n ASP 41 Cb 0.66 0.81 -0.00 0.00 -1.14 0.00 0.00 41.12 41.44 2ct4 n ASP 41 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ct4 n GLY 42 N 2.56 0.47 3.28 6.12 0.00 -1.26 -5.01 105.19 111.36 2ct4 n GLY 42 Ca -0.05 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.89 2.96 -0.25 1.61 0.52 -1.26 -1.40 118.94 119.22 2ct4 s TRP 43 Ca 0.00 -1.06 0.02 0.00 0.02 0.00 0.00 56.10 55.08 2ct4 s TRP 43 Cb 0.00 -2.09 0.06 0.00 -1.15 0.00 0.00 33.47 30.29 2ct4 s TRP 43 CO 0.00 -0.59 -0.08 0.99 0.02 0.00 0.00 176.95 177.29 2ct4 s THR 44 N 1.45 1.90 0.46 2.01 2.01 0.59 -3.59 115.64 120.48 2ct4 s THR 44 Ca 0.05 -1.51 -0.22 0.00 0.31 0.00 0.00 61.69 60.32 2ct4 s THR 44 Cb -0.14 -2.10 -0.08 0.00 0.01 0.00 0.00 72.50 70.19 2ct4 s THR 44 CO -0.04 -0.10 1.13 -0.60 -0.69 0.00 0.00 174.62 174.32 2ct4 s ARG 45 N 1.21 3.77 0.21 4.92 3.52 -0.72 -2.60 118.95 129.26 2ct4 s ARG 45 Ca -0.06 1.67 -0.13 0.00 -0.13 0.00 0.00 55.73 57.07 2ct4 s ARG 45 Cb -0.19 -2.35 0.01 0.00 -1.56 0.00 0.00 34.95 30.85 2ct4 s ARG 45 CO -0.06 -0.52 0.44 0.14 -0.81 0.00 0.00 175.30 174.50 2ct4 s VAL 46 N -1.63 0.03 0.18 7.11 -7.23 -0.92 -0.02 120.40 117.92 2ct4 s VAL 46 Ca 0.64 -1.20 0.10 0.00 -1.81 0.00 0.00 61.98 59.72 2ct4 s VAL 46 Cb -0.26 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 2ct4 s VAL 46 CO 0.31 -0.12 -0.22 -0.60 -0.31 0.00 0.00 175.10 174.16 2ct4 s ARG 47 N -3.96 1.43 -0.13 4.82 3.52 -0.55 -2.42 118.95 121.67 2ct4 s ARG 47 Ca 0.17 -1.48 -0.03 0.00 -0.13 0.00 0.00 55.73 54.25 2ct4 s ARG 47 Cb 0.00 -1.67 -0.03 0.00 -1.56 0.00 0.00 34.95 31.69 2ct4 s ARG 47 CO 0.03 0.36 -0.02 1.03 -0.81 0.00 0.00 175.30 175.88 2ct4 s ARG 48 N -2.69 3.39 0.24 5.12 0.52 0.21 -1.60 118.95 124.15 2ct4 s ARG 48 Ca 0.19 -0.47 0.08 0.00 -0.52 0.00 0.00 55.73 55.01 2ct4 s ARG 48 Cb -0.07 -2.87 0.76 0.00 0.52 0.00 0.00 34.95 33.29 2ct4 s ARG 48 CO 0.09 0.43 1.13 0.36 0.02 0.00 0.00 175.30 177.32 2ct4 n LYS 49 N 2.97 -0.05 0.11 3.54 2.85 -1.26 -0.34 118.16 125.97 2ct4 n LYS 49 Ca -0.18 1.03 -0.05 0.00 -1.05 0.00 0.00 58.31 58.06 2ct4 n LYS 49 Cb 0.53 -1.74 -0.03 0.00 -0.65 0.00 0.00 35.03 33.14 2ct4 n LYS 49 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 2ct4 h GLU 50 N 0.00 -0.31 0.00 -1.58 3.07 -1.98 -3.46 114.58 110.32 2ct4 h GLU 50 Ca 0.52 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.40 2ct4 h GLU 50 Cb 1.26 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.24 2ct4 h GLU 50 CO -0.61 -0.21 0.00 0.41 -1.40 0.00 0.00 179.01 177.20 2ct4 n GLY 51 N -1.17 0.00 3.29 -3.84 0.00 0.54 -5.16 105.19 98.84 2ct4 n GLY 51 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 1.25 0.01 -0.02 0.00 -1.22 -4.91 107.32 102.43 2ct4 s GLY 52 Ca 0.00 -1.07 0.01 0.00 0.00 0.00 0.00 44.72 43.66 2ct4 s GLY 52 CO 0.00 -0.83 -0.05 -1.83 0.00 0.00 0.00 173.10 170.39 2ct4 s GLU 53 N -0.47 0.38 0.03 2.90 1.03 -1.26 0.66 118.70 121.97 2ct4 s GLU 53 Ca 0.06 -0.40 -0.28 0.00 0.03 0.00 0.00 54.97 54.39 2ct4 s GLU 53 Cb -0.11 -0.25 0.10 0.00 -0.80 0.00 0.00 34.13 33.07 2ct4 s GLU 53 CO 0.00 0.06 1.23 0.20 -1.33 0.00 0.00 175.26 175.42 2ct4 s GLY 54 N -0.74 -0.16 -0.27 -3.83 0.00 -1.02 -4.76 107.32 96.54 2ct4 s GLY 54 Ca -0.04 0.14 -0.21 0.00 0.00 0.00 0.00 44.72 44.61 2ct4 s GLY 54 CO -0.00 3.41 0.65 -0.19 0.00 0.00 0.00 173.10 176.97 2ct4 s TYR 55 N -2.19 3.25 0.16 1.90 2.02 -1.26 -2.17 117.35 119.06 2ct4 s TYR 55 Ca 0.23 0.75 0.10 0.00 -0.37 0.00 0.00 57.07 57.79 2ct4 s TYR 55 Cb 0.00 -2.93 -0.04 0.00 -0.40 0.00 0.00 41.96 38.60 2ct4 s TYR 55 CO -0.00 -0.40 -0.21 0.14 -1.57 0.00 0.00 175.55 173.51 2ct4 s VAL 56 N 2.59 2.56 -0.03 0.71 -7.23 -1.07 -4.13 120.40 113.79 2ct4 s VAL 56 Ca 0.27 -1.81 -0.30 0.00 -1.81 0.00 0.00 61.98 58.33 2ct4 s VAL 56 Cb -0.15 -2.20 -0.05 0.00 0.56 0.00 0.00 36.38 34.54 2ct4 s VAL 56 CO 0.10 -0.02 1.48 -2.16 -0.31 0.00 0.00 175.10 174.18 2ct4 s PRO 57 N -2.44 4.24 0.40 4.82 0.04 -1.26 -0.30 135.00 140.50 2ct4 s PRO 57 Ca 0.19 2.02 0.16 0.00 0.04 0.00 0.00 61.00 63.41 2ct4 s PRO 57 Cb -0.09 -3.72 1.05 0.00 0.04 0.00 0.00 34.50 31.77 2ct4 s PRO 57 CO 0.10 -0.69 1.84 1.15 0.04 0.00 0.00 177.00 179.44 2ct4 h THR 58 N 5.18 0.67 -0.15 1.26 2.02 -1.56 0.33 112.91 120.66 2ct4 h THR 58 Ca -0.37 -0.15 0.04 0.00 0.77 0.00 0.00 66.41 66.70 2ct4 h THR 58 Cb 1.17 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 2ct4 h THR 58 CO 0.93 0.08 0.27 0.28 0.37 0.00 0.00 175.52 177.45 2ct4 h SER 59 N 0.45 0.00 -0.69 4.18 0.02 -1.91 0.39 113.55 115.99 2ct4 h SER 59 Ca 0.49 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 61.23 2ct4 h SER 59 Cb 1.17 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.58 2ct4 h SER 59 CO -0.21 0.00 0.25 -1.22 -1.14 0.00 0.00 176.83 174.51 2ct4 n TYR 60 N -3.39 2.29 -4.03 3.45 4.02 0.11 -4.88 117.16 114.72 2ct4 n TYR 60 Ca 0.01 -1.24 -0.24 0.00 -0.01 0.00 0.00 57.90 56.43 2ct4 n TYR 60 Cb 0.37 -0.66 -0.17 0.00 -0.02 0.00 0.00 39.34 38.86 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 -3.02 1.12 -0.37 7.72 1.43 0.14 -1.91 118.68 123.79 2ct4 s LEU 61 Ca 0.54 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 2ct4 s LEU 61 Cb 0.43 -0.63 0.10 0.00 0.03 0.00 0.00 46.19 46.13 2ct4 s LEU 61 CO 0.12 -0.10 0.11 -0.60 0.23 0.00 0.00 176.35 176.11 2ct4 s ARG 62 N 1.42 1.83 -0.41 1.70 3.52 -0.72 -4.93 118.95 121.36 2ct4 s ARG 62 Ca -0.02 -1.78 -0.42 0.00 -0.13 0.00 0.00 55.73 53.38 2ct4 s ARG 62 Cb -0.13 -3.37 -0.17 0.00 -1.56 0.00 0.00 34.95 29.71 2ct4 s ARG 62 CO -0.03 -0.96 1.88 0.28 -0.81 0.00 0.00 175.30 175.65 2ct4 n VAL 63 N 4.45 0.12 -3.46 7.11 0.31 -1.26 -3.09 118.33 122.50 2ct4 n VAL 63 Ca -0.01 -0.06 -0.38 0.00 -0.01 0.00 0.00 64.34 63.89 2ct4 n VAL 63 Cb 0.42 -0.88 -0.08 0.00 -0.91 0.00 0.00 33.84 32.38 2ct4 n VAL 63 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2ct4 s THR 64 N 4.64 5.24 -0.00 2.52 -1.32 -0.83 -4.95 115.64 120.94 2ct4 s THR 64 Ca 1.08 0.56 0.00 0.00 -1.21 0.00 0.00 61.69 62.12 2ct4 s THR 64 Cb -1.28 -3.67 0.00 0.00 -1.51 0.00 0.00 72.50 66.05 2ct4 s THR 64 CO 0.68 0.27 -0.01 -0.44 -2.21 0.00 0.00 174.62 172.91 2ct4 s SER 65 N 1.11 0.15 0.00 8.08 0.01 -1.26 -4.69 113.70 117.09 2ct4 s SER 65 Ca 0.16 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.40 2ct4 s SER 65 Cb -0.15 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.06 2ct4 s SER 65 CO 0.07 0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.34 2ct4 n GLY 66 N 3.15 0.62 0.00 3.44 0.00 -1.26 -4.83 105.19 106.31 2ct4 n GLY 66 Ca -0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 0.47 -1.36 1.61 -0.04 -1.26 -4.82 135.00 129.60 2ct4 n PRO 67 Ca 0.00 0.01 -0.40 0.00 -0.04 0.00 0.00 63.50 63.06 2ct4 n PRO 67 Cb 0.00 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.82 2ct4 n PRO 67 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2ct4 n SER 68 N -1.01 0.32 -4.14 3.54 3.41 -1.26 -4.86 113.62 109.62 2ct4 n SER 68 Ca 0.11 0.22 -0.10 0.00 -0.26 0.00 0.00 58.87 58.85 2ct4 n SER 68 Cb 0.06 -0.85 -0.10 0.00 -0.26 0.00 0.00 64.21 63.05 2ct4 n SER 68 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2ct4 s SER 69 N 8.01 0.93 0.00 4.04 0.01 -1.26 -5.16 113.70 120.27 2ct4 s SER 69 Ca 1.24 -0.98 0.07 0.00 1.31 0.00 0.00 55.95 57.60 2ct4 s SER 69 Cb -1.20 0.12 0.43 0.00 0.21 0.00 0.00 66.02 65.58 2ct4 s SER 69 CO 0.47 -0.49 0.89 0.61 0.41 0.00 0.00 173.24 175.13