#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ct4 s SER 2 N 0.00 1.89 0.17 1.61 1.04 -1.26 -5.06 113.70 112.09 2ct4 s SER 2 Ca 0.00 -1.54 -0.13 0.00 0.48 0.00 0.00 55.95 54.76 2ct4 s SER 2 Cb 0.00 0.33 0.07 0.00 0.10 0.00 0.00 66.02 66.52 2ct4 s SER 2 CO 0.00 -0.85 1.77 0.77 0.98 0.00 0.00 173.24 175.92 2ct4 h SER 3 N 2.12 0.72 0.00 7.02 4.64 -2.12 -3.48 113.55 122.45 2ct4 h SER 3 Ca -0.35 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2ct4 h SER 3 Cb 1.25 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2ct4 h SER 3 CO 0.56 0.62 0.00 0.61 -0.87 0.00 0.00 176.83 177.75 2ct4 n GLY 4 N -1.00 4.25 2.26 -0.77 0.00 -1.26 -4.97 105.19 103.71 2ct4 n GLY 4 Ca 0.03 -1.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 2ct4 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ct4 n SER 5 N 0.00 7.08 -4.39 1.61 3.41 -1.26 -4.92 113.62 115.15 2ct4 n SER 5 Ca 0.00 -3.78 -0.44 0.00 -0.26 0.00 0.00 58.87 54.39 2ct4 n SER 5 Cb 0.00 -0.86 -0.04 0.00 -0.26 0.00 0.00 64.21 63.05 2ct4 n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2ct4 s SER 6 N -2.14 6.23 0.00 4.04 0.15 -1.26 -4.97 113.70 115.75 2ct4 s SER 6 Ca 0.62 -1.43 0.00 0.00 0.70 0.00 0.00 55.95 55.84 2ct4 s SER 6 Cb 0.49 -2.33 0.00 0.00 -1.71 0.00 0.00 66.02 62.47 2ct4 s SER 6 CO 0.00 -1.16 0.00 0.61 1.20 0.00 0.00 173.24 173.89 2ct4 n GLY 7 N 5.26 0.70 3.76 9.45 0.00 -1.26 -4.88 105.19 118.21 2ct4 n GLY 7 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 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 3.04 -0.32 -0.02 0.00 -1.26 -5.00 107.32 103.76 2ct4 s GLY 8 Ca 0.00 0.75 0.03 0.00 0.00 0.00 0.00 44.72 45.50 2ct4 s GLY 8 CO 0.00 1.32 0.01 -2.38 0.00 0.00 0.00 173.10 172.05 2ct4 s HIS 9 N -1.24 3.58 0.04 1.90 0.00 -1.26 -2.55 115.29 115.74 2ct4 s HIS 9 Ca 0.45 -2.70 0.05 0.00 -3.00 0.00 0.00 55.06 49.86 2ct4 s HIS 9 Cb -0.28 -2.60 -0.02 0.00 -4.00 0.00 0.00 32.58 25.68 2ct4 s HIS 9 CO 0.35 -0.92 -0.15 0.00 -1.00 0.00 0.00 174.74 173.02 2ct4 s VAL 11 N -0.79 1.80 0.36 0.00 -7.23 -1.08 -1.18 120.40 112.27 2ct4 s VAL 11 Ca 0.03 -1.59 -0.27 0.00 -1.81 0.00 0.00 61.98 58.33 2ct4 s VAL 11 Cb -0.08 -1.63 -0.10 0.00 0.56 0.00 0.00 36.38 35.13 2ct4 s VAL 11 CO 0.01 -0.05 1.28 0.00 -0.31 0.00 0.00 175.10 176.03 2ct4 s ALA 12 N -1.19 3.38 -0.21 1.32 0.00 -0.67 -0.38 121.76 124.01 2ct4 s ALA 12 Ca 0.08 1.21 0.03 0.00 0.00 0.00 0.00 51.96 53.28 2ct4 s ALA 12 Cb -0.10 -3.47 -0.15 0.00 0.00 0.00 0.00 23.12 19.41 2ct4 s ALA 12 CO 0.05 -0.67 -0.16 -0.89 0.00 0.00 0.00 175.76 174.08 2ct4 n ILE 13 N 0.51 1.21 -4.31 0.00 5.41 -0.60 -0.15 119.36 121.44 2ct4 n ILE 13 Ca 0.02 -0.49 -0.19 0.00 1.00 0.00 0.00 62.75 63.08 2ct4 n ILE 13 Cb 0.43 -1.18 -0.13 0.00 -0.71 0.00 0.00 39.64 38.05 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 -2.42 1.15 -0.31 1.39 2.02 -1.26 -4.62 117.35 113.30 2ct4 s TYR 14 Ca -0.26 -0.36 -0.34 0.00 -0.37 0.00 0.00 57.07 55.73 2ct4 s TYR 14 Cb 0.07 -0.68 -0.10 0.00 -0.40 0.00 0.00 41.96 40.85 2ct4 s TYR 14 CO 0.51 0.03 2.17 1.58 -1.57 0.00 0.00 175.55 178.26 2ct4 n HIS 15 N 1.86 1.72 -3.77 2.71 -0.00 -1.26 -4.69 115.22 111.79 2ct4 n HIS 15 Ca -0.18 0.19 -0.37 0.00 0.46 0.00 0.00 57.72 57.81 2ct4 n HIS 15 Cb 0.55 -2.57 -0.13 0.00 -0.12 0.00 0.00 29.99 27.72 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 7.22 3.25 -0.21 1.57 5.36 -1.24 -5.05 117.98 128.88 2ct4 s PHE 16 Ca 1.07 -1.43 -0.24 0.00 -0.96 0.00 0.00 56.93 55.36 2ct4 s PHE 16 Cb -0.76 -2.26 -0.01 0.00 -0.34 0.00 0.00 43.02 39.66 2ct4 s PHE 16 CO 0.47 -0.73 0.79 -2.00 -1.46 0.00 0.00 175.22 172.30 2ct4 s GLU 17 N 1.40 4.22 -1.16 10.12 2.12 -1.26 -2.45 118.70 131.69 2ct4 s GLU 17 Ca -0.02 0.90 -0.04 0.00 0.36 0.00 0.00 54.97 56.18 2ct4 s GLU 17 Cb -0.19 -3.61 0.24 0.00 0.26 0.00 0.00 34.13 30.82 2ct4 s GLU 17 CO 0.02 -0.41 1.95 0.41 -0.54 0.00 0.00 175.26 176.70 2ct4 n GLY 18 N 3.68 5.53 0.23 -1.50 0.00 -1.26 -4.75 105.19 107.12 2ct4 n GLY 18 Ca 0.04 -2.37 -0.14 0.00 0.00 0.00 0.00 46.02 43.55 2ct4 n GLY 18 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2ct4 h SER 19 N 4.72 -0.42 -3.26 1.61 0.02 -1.93 -3.43 113.55 110.86 2ct4 h SER 19 Ca 0.52 -0.13 -0.48 0.00 -0.84 0.00 0.00 61.79 60.86 2ct4 h SER 19 Cb 0.40 0.11 0.22 0.00 0.14 0.00 0.00 62.40 63.27 2ct4 h SER 19 CO 1.36 -0.09 -0.38 -0.24 -1.14 0.00 0.00 176.83 176.34 2ct4 n SER 20 N -5.19 -1.54 -4.83 3.07 2.88 -1.26 -4.98 113.62 101.77 2ct4 n SER 20 Ca -0.10 0.10 -0.30 0.00 -1.33 0.00 0.00 58.87 57.23 2ct4 n SER 20 Cb 0.27 -1.22 0.07 0.00 -0.75 0.00 0.00 64.21 62.58 2ct4 n SER 20 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2ct4 s GLU 21 N -4.01 2.58 0.00 -1.46 1.03 -1.26 -4.06 118.70 111.52 2ct4 s GLU 21 Ca 0.62 0.72 0.00 0.00 0.03 0.00 0.00 54.97 56.34 2ct4 s GLU 21 Cb -0.20 -1.97 0.00 0.00 -0.80 0.00 0.00 34.13 31.16 2ct4 s GLU 21 CO 0.64 -1.29 0.00 0.41 -1.33 0.00 0.00 175.26 173.69 2ct4 n GLY 22 N -2.25 1.15 3.04 -3.83 0.00 -1.26 -4.91 105.19 97.14 2ct4 n GLY 22 Ca 0.07 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 -3.84 2.61 -2.24 -1.26 -3.56 114.28 105.99 2ct4 n THR 23 Ca 0.00 -0.01 -0.11 0.00 -2.27 0.00 0.00 64.05 61.66 2ct4 n THR 23 Cb 0.00 -0.61 -0.09 0.00 -2.10 0.00 0.00 70.33 67.53 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 -2.07 0.10 0.32 2.28 2.07 -1.26 -4.52 121.20 118.12 2ct4 s ILE 24 Ca 0.42 -0.79 0.02 0.00 -1.41 0.00 0.00 60.65 58.90 2ct4 s ILE 24 Cb -0.07 -0.78 -0.03 0.00 0.13 0.00 0.00 42.46 41.71 2ct4 s ILE 24 CO 0.36 -0.43 0.49 -0.94 -1.91 0.00 0.00 174.94 172.51 2ct4 s SER 25 N -1.84 6.25 0.14 4.50 1.04 -1.26 -4.08 113.70 118.44 2ct4 s SER 25 Ca -0.08 0.28 -0.17 0.00 0.48 0.00 0.00 55.95 56.46 2ct4 s SER 25 Cb -0.03 -1.89 0.04 0.00 0.10 0.00 0.00 66.02 64.24 2ct4 s SER 25 CO -0.02 -0.26 0.43 0.00 0.98 0.00 0.00 173.24 174.37 2ct4 s MET 26 N -4.22 1.12 -0.10 4.02 0.23 -1.03 -4.94 119.30 114.38 2ct4 s MET 26 Ca 0.39 -0.71 -0.03 0.00 -1.03 0.00 0.00 55.69 54.31 2ct4 s MET 26 Cb -0.09 0.48 -0.03 0.00 -1.53 0.00 0.00 34.83 33.66 2ct4 s MET 26 CO 0.34 -0.45 0.03 0.00 -2.03 0.00 0.00 175.02 172.91 2ct4 s ALA 27 N -3.81 3.41 -0.18 3.16 0.00 -1.26 -3.69 121.76 119.39 2ct4 s ALA 27 Ca 0.04 -0.77 -0.38 0.00 0.00 0.00 0.00 51.96 50.85 2ct4 s ALA 27 Cb 0.01 -1.62 -0.14 0.00 0.00 0.00 0.00 23.12 21.37 2ct4 s ALA 27 CO -0.11 0.55 1.76 -1.91 0.00 0.00 0.00 175.76 176.05 2ct4 n GLU 28 N 2.27 1.53 -1.66 0.00 2.13 -1.26 -0.29 120.64 123.36 2ct4 n GLU 28 Ca -0.19 0.56 -0.02 0.00 0.66 0.00 0.00 57.16 58.18 2ct4 n GLU 28 Cb 0.54 -2.30 -0.00 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 4.13 0.38 3.82 8.31 0.00 0.79 -4.98 105.19 117.64 2ct4 n GLY 29 Ca 0.24 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.35 3.86 0.19 1.61 2.56 0.61 -4.84 118.70 119.34 2ct4 s GLU 30 Ca 0.00 0.11 -0.30 0.00 0.00 0.00 0.00 54.97 54.78 2ct4 s GLU 30 Cb 0.00 -3.28 -0.08 0.00 2.00 0.00 0.00 34.13 32.78 2ct4 s GLU 30 CO 0.00 0.58 1.06 0.34 -0.56 0.00 0.00 175.26 176.67 2ct4 s ASP 31 N -0.57 7.36 0.28 -1.70 2.15 -1.26 -1.68 116.67 121.26 2ct4 s ASP 31 Ca 0.18 2.06 0.03 0.00 0.43 0.00 0.00 52.55 55.25 2ct4 s ASP 31 Cb -0.14 -2.61 -0.06 0.00 -0.30 0.00 0.00 42.92 39.82 2ct4 s ASP 31 CO 0.07 -0.13 0.04 -0.76 -0.17 0.00 0.00 175.17 174.22 2ct4 s LEU 32 N -0.62 2.09 -0.39 -1.34 1.43 -0.32 -4.82 118.68 114.70 2ct4 s LEU 32 Ca 0.47 -1.33 -0.01 0.00 -1.03 0.00 0.00 54.13 52.23 2ct4 s LEU 32 Cb -0.28 -0.29 0.11 0.00 0.03 0.00 0.00 46.19 45.76 2ct4 s LEU 32 CO 0.35 -0.59 0.17 -0.44 0.23 0.00 0.00 176.35 176.06 2ct4 s SER 33 N -3.40 5.14 -0.08 2.29 0.01 -0.02 -3.84 113.70 113.79 2ct4 s SER 33 Ca 0.34 -2.06 -0.36 0.00 1.31 0.00 0.00 55.95 55.18 2ct4 s SER 33 Cb 0.07 -1.78 -0.14 0.00 0.21 0.00 0.00 66.02 64.38 2ct4 s SER 33 CO 0.13 -0.50 1.71 -0.11 0.41 0.00 0.00 173.24 174.87 2ct4 n LEU 34 N 4.51 2.78 -0.04 2.44 -0.00 -1.06 -0.21 117.00 125.43 2ct4 n LEU 34 Ca -0.01 1.05 -0.06 0.00 -0.00 0.00 0.00 56.01 56.99 2ct4 n LEU 34 Cb 0.41 -1.28 -0.02 0.00 -0.00 0.00 0.00 43.42 42.54 2ct4 n LEU 34 CO 0.30 -0.36 -0.43 0.23 -0.00 0.00 0.00 177.39 177.13 2ct4 n MET 35 N 5.09 0.33 -5.05 1.96 2.81 0.13 -4.34 117.12 118.05 2ct4 n MET 35 Ca 0.22 0.13 -0.32 0.00 -1.81 0.00 0.00 57.70 55.92 2ct4 n MET 35 Cb 0.22 -1.08 -0.16 0.00 -0.71 0.00 0.00 33.22 31.49 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 -2.57 3.12 0.77 0.03 2.56 -0.79 -4.99 118.70 116.83 2ct4 s GLU 36 Ca -0.18 -0.84 -0.11 0.00 0.00 0.00 0.00 54.97 53.84 2ct4 s GLU 36 Cb 0.03 -2.39 0.06 0.00 2.00 0.00 0.00 34.13 33.82 2ct4 s GLU 36 CO 0.27 0.16 1.08 -1.21 -0.56 0.00 0.00 175.26 175.00 2ct4 s GLU 37 N 0.41 2.28 -0.26 4.30 2.02 -1.26 -2.36 118.70 123.82 2ct4 s GLU 37 Ca -0.16 1.02 -0.05 0.00 0.02 0.00 0.00 54.97 55.80 2ct4 s GLU 37 Cb -0.17 -1.91 0.01 0.00 0.10 0.00 0.00 34.13 32.15 2ct4 s GLU 37 CO 0.07 -1.59 0.01 0.16 0.02 0.00 0.00 175.26 173.94 2ct4 s ASP 38 N -3.55 4.72 -0.46 -0.19 -4.77 -1.26 -4.82 116.67 106.34 2ct4 s ASP 38 Ca 0.61 -0.62 -0.08 0.00 -3.30 0.00 0.00 52.55 49.16 2ct4 s ASP 38 Cb -0.16 -1.80 0.11 0.00 -1.09 0.00 0.00 42.92 39.99 2ct4 s ASP 38 CO 0.56 -0.12 0.31 -0.54 0.70 0.00 0.00 175.17 176.08 2ct4 s LYS 39 N 1.46 2.40 -1.02 2.11 -0.14 -1.26 -4.63 119.74 118.66 2ct4 s LYS 39 Ca 0.03 -1.75 0.00 0.00 -1.36 0.00 0.00 55.97 52.89 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 -0.01 -1.15 0.00 0.41 -0.76 0.00 0.00 175.35 173.84 2ct4 n GLY 40 N 4.85 0.07 0.05 -3.33 0.00 -1.26 -4.74 105.19 100.83 2ct4 n GLY 40 Ca -0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.89 2ct4 n GLY 40 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ct4 n ASP 41 N -1.21 3.03 0.00 1.61 8.00 -1.26 -5.02 116.55 121.70 2ct4 n ASP 41 Ca -0.12 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.35 2ct4 n ASP 41 Cb 0.51 0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.87 2ct4 n ASP 41 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ct4 n GLY 42 N 2.73 0.74 3.13 0.44 0.00 -1.26 -5.03 105.19 105.95 2ct4 n GLY 42 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.71 2.85 -0.12 1.61 0.52 -1.26 -2.03 118.94 117.79 2ct4 s TRP 43 Ca 0.00 -1.66 0.02 0.00 0.02 0.00 0.00 56.10 54.48 2ct4 s TRP 43 Cb 0.00 -1.94 -0.01 0.00 -1.15 0.00 0.00 33.47 30.37 2ct4 s TRP 43 CO 0.00 -0.79 -0.18 0.99 0.02 0.00 0.00 176.95 176.99 2ct4 s THR 44 N 1.29 2.57 -0.25 2.01 2.01 -0.07 -4.25 115.64 118.95 2ct4 s THR 44 Ca 0.04 -0.83 -0.22 0.00 0.31 0.00 0.00 61.69 60.99 2ct4 s THR 44 Cb -0.14 -2.05 -0.01 0.00 0.01 0.00 0.00 72.50 70.31 2ct4 s THR 44 CO -0.11 0.54 0.69 -0.60 -0.69 0.00 0.00 174.62 174.45 2ct4 s ARG 45 N 0.46 4.14 0.29 4.92 3.52 -1.00 -1.87 118.95 129.42 2ct4 s ARG 45 Ca -0.12 0.68 0.11 0.00 -0.13 0.00 0.00 55.73 56.27 2ct4 s ARG 45 Cb -0.17 -3.64 -0.05 0.00 -1.56 0.00 0.00 34.95 29.53 2ct4 s ARG 45 CO 0.05 -0.43 -0.18 0.14 -0.81 0.00 0.00 175.30 174.07 2ct4 s VAL 46 N 2.56 2.42 0.05 7.11 -7.23 -1.17 0.20 120.40 124.33 2ct4 s VAL 46 Ca 0.29 -2.37 0.09 0.00 -1.81 0.00 0.00 61.98 58.18 2ct4 s VAL 46 Cb -0.15 -2.36 -0.03 0.00 0.56 0.00 0.00 36.38 34.40 2ct4 s VAL 46 CO 0.08 -0.37 -0.24 -0.60 -0.31 0.00 0.00 175.10 173.67 2ct4 s ARG 47 N -3.53 1.87 -0.19 4.82 3.52 0.71 -3.30 118.95 122.84 2ct4 s ARG 47 Ca 0.30 -1.08 -0.06 0.00 -0.13 0.00 0.00 55.73 54.76 2ct4 s ARG 47 Cb -0.04 -2.04 -0.03 0.00 -1.56 0.00 0.00 34.95 31.28 2ct4 s ARG 47 CO 0.15 0.52 0.02 1.03 -0.81 0.00 0.00 175.30 176.21 2ct4 s ARG 48 N -1.34 3.74 0.59 5.12 0.52 -0.20 -0.84 118.95 126.53 2ct4 s ARG 48 Ca 0.13 -0.46 0.32 0.00 -0.52 0.00 0.00 55.73 55.20 2ct4 s ARG 48 Cb -0.10 -3.13 1.30 0.00 0.52 0.00 0.00 34.95 33.54 2ct4 s ARG 48 CO 0.03 0.10 1.59 1.57 0.02 0.00 0.00 175.30 178.60 2ct4 h LYS 49 N 7.24 0.00 0.33 3.54 -0.00 -1.88 0.19 116.57 125.99 2ct4 h LYS 49 Ca -0.35 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.28 2ct4 h LYS 49 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.41 2ct4 h LYS 49 CO 0.63 0.00 -0.16 0.93 -0.00 0.00 0.00 179.45 180.85 2ct4 h GLU 50 N 0.00 -0.42 0.00 0.07 5.08 -1.99 -3.47 114.58 113.85 2ct4 h GLU 50 Ca 0.49 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 2ct4 h GLU 50 Cb 2.46 0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.81 2ct4 h GLU 50 CO -0.01 -0.13 0.00 0.41 -1.00 0.00 0.00 179.01 178.28 2ct4 n GLY 51 N -0.54 0.00 2.89 -3.84 0.00 0.67 -5.16 105.19 99.21 2ct4 n GLY 51 Ca -0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 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 0.18 0.08 -0.02 0.00 -1.23 -4.98 107.32 101.35 2ct4 s GLY 52 Ca 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 44.72 44.70 2ct4 s GLY 52 CO 0.00 0.09 -0.08 -1.83 0.00 0.00 0.00 173.10 171.27 2ct4 s GLU 53 N 0.24 0.73 0.03 2.90 -1.05 -1.26 -1.04 118.70 119.25 2ct4 s GLU 53 Ca -0.02 -1.06 -0.22 0.00 -0.15 0.00 0.00 54.97 53.52 2ct4 s GLU 53 Cb -0.05 -0.36 0.07 0.00 -0.44 0.00 0.00 34.13 33.35 2ct4 s GLU 53 CO -0.01 0.05 1.01 0.41 0.95 0.00 0.00 175.26 177.67 2ct4 n GLY 54 N 0.73 0.40 3.49 -3.83 0.00 -1.21 -4.75 105.19 100.03 2ct4 n GLY 54 Ca -0.17 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 2ct4 n GLY 54 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ct4 s TYR 55 N -2.36 3.18 0.12 1.61 2.02 -1.23 -3.04 117.35 117.65 2ct4 s TYR 55 Ca 0.23 -0.33 0.07 0.00 -0.37 0.00 0.00 57.07 56.67 2ct4 s TYR 55 Cb -0.01 -2.86 -0.04 0.00 -0.40 0.00 0.00 41.96 38.64 2ct4 s TYR 55 CO 0.01 -0.67 -0.06 0.14 -1.57 0.00 0.00 175.55 173.40 2ct4 s VAL 56 N 2.12 3.55 -0.13 0.71 -7.23 -0.78 -4.06 120.40 114.58 2ct4 s VAL 56 Ca 0.12 -1.28 -0.29 0.00 -1.81 0.00 0.00 61.98 58.71 2ct4 s VAL 56 Cb -0.17 -2.70 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 2ct4 s VAL 56 CO 0.13 0.05 1.55 -2.16 -0.31 0.00 0.00 175.10 174.36 2ct4 s PRO 57 N -2.43 4.07 0.41 4.82 0.04 -1.26 -0.89 135.00 139.75 2ct4 s PRO 57 Ca 0.24 1.90 0.20 0.00 0.04 0.00 0.00 61.00 63.38 2ct4 s PRO 57 Cb -0.11 -3.95 1.16 0.00 0.04 0.00 0.00 34.50 31.64 2ct4 s PRO 57 CO 0.16 -0.96 1.75 1.15 0.04 0.00 0.00 177.00 179.14 2ct4 h THR 58 N 5.74 0.47 -0.86 1.26 2.02 -1.74 0.39 112.91 120.18 2ct4 h THR 58 Ca -0.34 -0.12 0.22 0.00 0.77 0.00 0.00 66.41 66.94 2ct4 h THR 58 Cb 1.15 0.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.61 2ct4 h THR 58 CO 0.97 0.06 0.59 0.28 0.37 0.00 0.00 175.52 177.80 2ct4 h SER 59 N 0.34 0.22 -0.47 4.18 0.02 -1.90 0.65 113.55 116.59 2ct4 h SER 59 Ca 0.62 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 61.48 2ct4 h SER 59 Cb 1.66 -0.02 -0.07 0.00 0.14 0.00 0.00 62.40 64.11 2ct4 h SER 59 CO -0.30 0.09 0.14 -1.22 -1.14 0.00 0.00 176.83 174.40 2ct4 n TYR 60 N -4.41 1.60 -4.47 3.45 4.02 0.14 -4.83 117.16 112.65 2ct4 n TYR 60 Ca 0.18 -0.78 -0.27 0.00 -0.01 0.00 0.00 57.90 57.02 2ct4 n TYR 60 Cb 0.78 -0.49 -0.17 0.00 -0.02 0.00 0.00 39.34 39.45 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 -1.94 1.65 -0.33 7.72 1.43 0.23 -1.56 118.68 125.88 2ct4 s LEU 61 Ca 0.37 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.11 2ct4 s LEU 61 Cb 0.29 -0.98 0.08 0.00 0.03 0.00 0.00 46.19 45.61 2ct4 s LEU 61 CO 0.09 0.01 0.04 -0.60 0.23 0.00 0.00 176.35 176.12 2ct4 s ARG 62 N 0.93 1.93 -0.32 1.70 3.52 0.49 -4.92 118.95 122.29 2ct4 s ARG 62 Ca -0.09 -1.63 -0.42 0.00 -0.13 0.00 0.00 55.73 53.47 2ct4 s ARG 62 Cb -0.15 -3.21 -0.16 0.00 -1.56 0.00 0.00 34.95 29.86 2ct4 s ARG 62 CO -0.00 -0.82 1.72 0.28 -0.81 0.00 0.00 175.30 175.66 2ct4 n VAL 63 N 4.43 0.25 -1.52 7.11 0.31 -1.26 -2.64 118.33 125.00 2ct4 n VAL 63 Ca -0.05 -0.04 -0.44 0.00 -0.01 0.00 0.00 64.34 63.80 2ct4 n VAL 63 Cb 0.42 -1.08 -0.01 0.00 -0.91 0.00 0.00 33.84 32.26 2ct4 n VAL 63 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2ct4 n THR 64 N 4.48 1.98 -4.21 2.52 -2.24 0.46 -4.93 114.28 112.35 2ct4 n THR 64 Ca 0.27 -0.50 -0.14 0.00 -2.27 0.00 0.00 64.05 61.41 2ct4 n THR 64 Cb 0.09 -0.73 -0.11 0.00 -2.10 0.00 0.00 70.33 67.49 2ct4 n THR 64 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2ct4 s SER 65 N -0.75 1.60 0.08 3.42 1.04 -1.26 -5.01 113.70 112.82 2ct4 s SER 65 Ca 0.61 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 56.16 2ct4 s SER 65 Cb -0.70 -0.00 0.00 0.00 0.10 0.00 0.00 66.02 65.42 2ct4 s SER 65 CO 0.59 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 175.13 2ct4 n GLY 66 N 0.29 -1.71 3.74 7.32 0.00 -1.26 -5.15 105.19 108.42 2ct4 n GLY 66 Ca -0.14 0.59 -0.30 0.00 0.00 0.00 0.00 46.02 46.17 2ct4 n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ct4 s PRO 67 N -1.67 1.72 -1.40 1.61 0.04 -1.26 -3.84 135.00 130.20 2ct4 s PRO 67 Ca 0.00 0.98 -0.10 0.00 0.04 0.00 0.00 61.00 61.92 2ct4 s PRO 67 Cb 0.00 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.72 2ct4 s PRO 67 CO 0.00 -1.97 1.15 0.43 0.04 0.00 0.00 177.00 176.65 2ct4 n SER 68 N -3.72 -6.08 -4.97 6.66 7.64 -1.26 -4.99 113.62 106.90 2ct4 n SER 68 Ca 0.08 -0.59 -0.21 0.00 1.01 0.00 0.00 58.87 59.16 2ct4 n SER 68 Cb 0.54 -4.80 0.02 0.00 -1.01 0.00 0.00 64.21 58.96 2ct4 n SER 68 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2ct4 s SER 69 N -3.32 5.59 0.00 6.43 1.04 -1.25 -5.26 113.70 116.93 2ct4 s SER 69 Ca 0.61 0.05 0.00 0.00 0.48 0.00 0.00 55.95 57.08 2ct4 s SER 69 Cb -0.28 -1.14 0.00 0.00 0.10 0.00 0.00 66.02 64.71 2ct4 s SER 69 CO 0.75 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.71