#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 4.43 -0.05 1.61 0.01 -1.26 -5.07 113.70 113.37 2ct4 s SER 2 Ca 0.00 1.39 0.06 0.00 1.31 0.00 0.00 55.95 58.71 2ct4 s SER 2 Cb 0.00 -2.13 -0.01 0.00 0.21 0.00 0.00 66.02 64.08 2ct4 s SER 2 CO 0.00 -2.02 -0.24 -0.55 0.41 0.00 0.00 173.24 170.84 2ct4 s SER 3 N -3.79 3.21 0.00 2.44 0.15 -1.26 -5.05 113.70 109.40 2ct4 s SER 3 Ca 0.61 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.80 2ct4 s SER 3 Cb -0.15 -0.78 0.00 0.00 -1.71 0.00 0.00 66.02 63.38 2ct4 s SER 3 CO 0.55 0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.86 2ct4 n GLY 4 N 2.81 0.31 0.08 9.45 0.00 -1.26 -4.84 105.19 111.73 2ct4 n GLY 4 Ca -0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.80 1.82 -4.60 1.61 7.64 -1.26 -4.83 113.62 113.21 2ct4 n SER 5 Ca 0.00 0.60 -0.43 0.00 1.01 0.00 0.00 58.87 60.05 2ct4 n SER 5 Cb 0.00 -0.87 -0.03 0.00 -1.01 0.00 0.00 64.21 62.30 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 -5.86 5.95 0.00 6.43 1.04 -1.26 -4.88 113.70 115.12 2ct4 s SER 6 Ca -0.17 1.28 0.00 0.00 0.48 0.00 0.00 55.95 57.54 2ct4 s SER 6 Cb 0.03 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.62 2ct4 s SER 6 CO 0.27 -1.66 0.00 0.61 0.98 0.00 0.00 173.24 173.43 2ct4 n GLY 7 N 5.37 2.00 2.74 7.32 0.00 -1.26 -4.93 105.19 116.42 2ct4 n GLY 7 Ca 0.22 0.21 -0.25 0.00 0.00 0.00 0.00 46.02 46.20 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 0.55 -0.23 -0.02 0.00 -1.26 -5.08 107.32 101.28 2ct4 s GLY 8 Ca 0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 44.72 44.27 2ct4 s GLY 8 CO 0.00 1.31 0.12 0.30 0.00 0.00 0.00 173.10 174.83 2ct4 s HIS 9 N 1.94 3.25 0.03 1.90 0.09 -1.26 -1.69 115.29 119.55 2ct4 s HIS 9 Ca 0.02 0.06 -0.01 0.00 -0.00 0.00 0.00 55.06 55.13 2ct4 s HIS 9 Cb -0.14 -2.22 -0.02 0.00 -0.00 0.00 0.00 32.58 30.19 2ct4 s HIS 9 CO -0.07 -0.00 -0.01 0.00 -0.00 0.00 0.00 174.74 174.66 2ct4 s VAL 11 N -2.16 0.79 0.19 0.00 -7.23 -1.12 -1.63 120.40 109.23 2ct4 s VAL 11 Ca -0.09 -0.25 -0.32 0.00 -1.81 0.00 0.00 61.98 59.51 2ct4 s VAL 11 Cb -0.05 -0.78 -0.16 0.00 0.56 0.00 0.00 36.38 35.95 2ct4 s VAL 11 CO -0.03 0.29 1.05 0.00 -0.31 0.00 0.00 175.10 176.10 2ct4 n ALA 12 N 4.13 -1.12 -0.04 1.32 0.00 -0.88 -2.76 120.51 121.16 2ct4 n ALA 12 Ca -0.22 0.46 -0.19 0.00 0.00 0.00 0.00 53.44 53.49 2ct4 n ALA 12 Cb 0.51 -1.96 -0.13 0.00 0.00 0.00 0.00 19.45 17.87 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 1.09 1.67 -4.03 0.00 5.41 -0.66 0.22 119.36 123.05 2ct4 n ILE 13 Ca 0.15 -0.64 -0.10 0.00 1.00 0.00 0.00 62.75 63.15 2ct4 n ILE 13 Cb 0.25 -1.55 -0.11 0.00 -0.71 0.00 0.00 39.64 37.52 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 -2.55 0.48 -0.30 1.39 2.02 -1.26 -4.64 117.35 112.49 2ct4 s TYR 14 Ca -0.25 -0.60 -0.33 0.00 -0.37 0.00 0.00 57.07 55.52 2ct4 s TYR 14 Cb 0.07 -0.31 -0.10 0.00 -0.40 0.00 0.00 41.96 41.23 2ct4 s TYR 14 CO 0.72 -0.17 2.18 1.58 -1.57 0.00 0.00 175.55 178.29 2ct4 n HIS 15 N 1.28 1.73 -4.27 2.71 -0.00 -1.26 -4.62 115.22 110.79 2ct4 n HIS 15 Ca -0.22 0.16 -0.34 0.00 -0.00 0.00 0.00 57.72 57.33 2ct4 n HIS 15 Cb 0.56 -2.59 -0.15 0.00 -0.00 0.00 0.00 29.99 27.81 2ct4 n HIS 15 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 2ct4 s PHE 16 N 7.40 2.83 -0.27 1.57 5.36 -1.17 -5.03 117.98 128.67 2ct4 s PHE 16 Ca 1.06 -1.13 -0.10 0.00 -0.96 0.00 0.00 56.93 55.80 2ct4 s PHE 16 Cb -0.72 -1.95 -0.04 0.00 -0.34 0.00 0.00 43.02 39.97 2ct4 s PHE 16 CO 0.46 -0.56 0.15 -2.00 -1.46 0.00 0.00 175.22 171.81 2ct4 s GLU 17 N 1.09 3.86 -1.21 10.12 2.56 -1.26 -1.69 118.70 132.17 2ct4 s GLU 17 Ca 0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 54.97 54.52 2ct4 s GLU 17 Cb -0.14 -3.56 0.21 0.00 2.00 0.00 0.00 34.13 32.64 2ct4 s GLU 17 CO -0.04 -0.19 1.69 0.41 -0.56 0.00 0.00 175.26 176.57 2ct4 n GLY 18 N 5.02 4.71 0.09 -1.50 0.00 -1.25 -4.73 105.19 107.54 2ct4 n GLY 18 Ca -0.15 -2.27 -0.16 0.00 0.00 0.00 0.00 46.02 43.45 2ct4 n GLY 18 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ct4 h SER 19 N 5.84 0.19 -2.60 1.61 4.64 -1.92 -3.40 113.55 117.90 2ct4 h SER 19 Ca 0.32 -0.87 -0.45 0.00 -0.47 0.00 0.00 61.79 60.33 2ct4 h SER 19 Cb 0.66 -0.06 0.23 0.00 -0.31 0.00 0.00 62.40 62.92 2ct4 h SER 19 CO 1.48 1.03 -0.71 -1.20 -0.87 0.00 0.00 176.83 176.56 2ct4 n SER 20 N -4.49 -2.20 -4.73 4.97 7.64 -1.26 -4.92 113.62 108.64 2ct4 n SER 20 Ca -0.10 -0.16 -0.41 0.00 1.01 0.00 0.00 58.87 59.21 2ct4 n SER 20 Cb 0.54 -1.06 -0.04 0.00 -1.01 0.00 0.00 64.21 62.64 2ct4 n SER 20 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2ct4 s GLU 21 N -3.78 4.61 -0.00 1.43 -1.05 -1.26 -3.77 118.70 114.88 2ct4 s GLU 21 Ca 0.61 1.61 -0.00 0.00 -0.15 0.00 0.00 54.97 57.04 2ct4 s GLU 21 Cb -0.17 -3.33 0.00 0.00 -0.44 0.00 0.00 34.13 30.19 2ct4 s GLU 21 CO 0.66 0.08 0.00 0.41 0.95 0.00 0.00 175.26 177.36 2ct4 n GLY 22 N 2.30 0.87 3.28 -3.83 0.00 -1.26 -5.01 105.19 101.54 2ct4 n GLY 22 Ca 0.03 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.00 0.00 -0.03 2.61 -4.23 -1.25 -1.61 115.64 108.13 2ct4 s THR 23 Ca 0.00 -1.88 -0.07 0.00 -1.18 0.00 0.00 61.69 58.56 2ct4 s THR 23 Cb -0.00 -2.45 0.01 0.00 1.34 0.00 0.00 72.50 71.40 2ct4 s THR 23 CO 0.00 0.00 0.16 -0.51 -0.54 0.00 0.00 174.62 173.73 2ct4 s ILE 24 N -4.11 0.04 0.04 2.99 2.07 -1.26 -4.33 121.20 116.64 2ct4 s ILE 24 Ca 0.36 -0.35 -0.18 0.00 -1.41 0.00 0.00 60.65 59.06 2ct4 s ILE 24 Cb 0.05 -0.35 -0.06 0.00 0.13 0.00 0.00 42.46 42.24 2ct4 s ILE 24 CO 0.12 -0.19 0.53 -0.94 -1.91 0.00 0.00 174.94 172.55 2ct4 s SER 25 N -0.67 6.98 0.04 4.50 1.04 -1.26 -3.77 113.70 120.57 2ct4 s SER 25 Ca -0.08 1.16 0.04 0.00 0.48 0.00 0.00 55.95 57.56 2ct4 s SER 25 Cb -0.04 -2.33 -0.02 0.00 0.10 0.00 0.00 66.02 63.72 2ct4 s SER 25 CO 0.01 0.25 -0.12 0.00 0.98 0.00 0.00 173.24 174.36 2ct4 s MET 26 N -0.88 0.78 -0.01 4.02 0.23 -0.68 -4.93 119.30 117.82 2ct4 s MET 26 Ca 0.28 -0.74 -0.17 0.00 -1.03 0.00 0.00 55.69 54.03 2ct4 s MET 26 Cb -0.19 -0.74 -0.06 0.00 -1.53 0.00 0.00 34.83 32.32 2ct4 s MET 26 CO 0.17 0.17 0.46 0.00 -2.03 0.00 0.00 175.02 173.80 2ct4 s ALA 27 N -0.97 3.61 -0.36 3.16 0.00 -1.26 -3.05 121.76 122.89 2ct4 s ALA 27 Ca -0.01 -0.15 -0.39 0.00 0.00 0.00 0.00 51.96 51.40 2ct4 s ALA 27 Cb -0.08 -2.51 -0.15 0.00 0.00 0.00 0.00 23.12 20.38 2ct4 s ALA 27 CO 0.01 0.34 2.00 -1.91 0.00 0.00 0.00 175.76 176.20 2ct4 n GLU 28 N 2.28 0.83 -1.42 0.00 2.13 -1.26 0.54 120.64 123.75 2ct4 n GLU 28 Ca -0.11 0.26 0.00 0.00 0.66 0.00 0.00 57.16 57.97 2ct4 n GLU 28 Cb 0.52 -2.10 0.00 0.00 0.27 0.00 0.00 31.44 30.13 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 5.84 0.53 3.84 8.31 0.00 0.13 -4.98 105.19 118.87 2ct4 n GLY 29 Ca 0.39 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.92 3.85 0.10 1.61 2.56 0.19 -4.81 118.70 119.28 2ct4 s GLU 30 Ca 0.00 0.33 -0.30 0.00 0.00 0.00 0.00 54.97 55.00 2ct4 s GLU 30 Cb 0.00 -3.20 -0.06 0.00 2.00 0.00 0.00 34.13 32.87 2ct4 s GLU 30 CO 0.00 0.69 1.12 -0.51 -0.56 0.00 0.00 175.26 176.00 2ct4 s ASP 31 N -1.12 7.21 0.10 -1.70 1.11 -1.26 -2.06 116.67 118.94 2ct4 s ASP 31 Ca 0.23 1.99 0.04 0.00 0.18 0.00 0.00 52.55 54.99 2ct4 s ASP 31 Cb -0.16 -2.59 -0.04 0.00 1.07 0.00 0.00 42.92 41.21 2ct4 s ASP 31 CO 0.13 -0.32 -0.11 -0.76 1.18 0.00 0.00 175.17 175.29 2ct4 s LEU 32 N 0.41 2.40 -0.45 1.23 1.43 -0.65 -4.68 118.68 118.38 2ct4 s LEU 32 Ca 0.53 -0.80 -0.15 0.00 -1.03 0.00 0.00 54.13 52.68 2ct4 s LEU 32 Cb -0.28 -0.35 0.05 0.00 0.03 0.00 0.00 46.19 45.64 2ct4 s LEU 32 CO 0.31 -0.24 0.36 -0.55 0.23 0.00 0.00 176.35 176.47 2ct4 s SER 33 N -2.42 6.14 -0.35 2.29 0.15 -0.82 -3.59 113.70 115.09 2ct4 s SER 33 Ca 0.06 -1.15 -0.28 0.00 0.70 0.00 0.00 55.95 55.29 2ct4 s SER 33 Cb -0.03 -2.18 -0.04 0.00 -1.71 0.00 0.00 66.02 62.06 2ct4 s SER 33 CO 0.01 -0.57 2.10 -0.22 1.20 0.00 0.00 173.24 175.75 2ct4 s LEU 34 N 1.68 3.43 -0.22 3.45 1.98 -0.68 -1.56 118.68 126.76 2ct4 s LEU 34 Ca 0.05 1.38 -0.16 0.00 -2.89 0.00 0.00 54.13 52.51 2ct4 s LEU 34 Cb -0.22 -3.20 -0.09 0.00 0.66 0.00 0.00 46.19 43.34 2ct4 s LEU 34 CO 0.08 -2.13 -0.35 0.23 -1.89 0.00 0.00 176.35 172.30 2ct4 n MET 35 N 8.76 0.55 -4.44 1.98 2.81 -0.71 -4.36 117.12 121.71 2ct4 n MET 35 Ca 0.28 0.23 -0.34 0.00 -1.81 0.00 0.00 57.70 56.06 2ct4 n MET 35 Cb 0.48 -1.44 -0.11 0.00 -0.71 0.00 0.00 33.22 31.45 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 -2.70 3.15 0.19 0.03 8.01 -0.78 -5.00 118.70 121.61 2ct4 s GLU 36 Ca -0.33 -0.48 -0.02 0.00 0.01 0.00 0.00 54.97 54.15 2ct4 s GLU 36 Cb 0.09 -2.79 -0.05 0.00 -4.31 0.00 0.00 34.13 27.08 2ct4 s GLU 36 CO 0.45 0.55 0.39 -1.21 0.01 0.00 0.00 175.26 175.45 2ct4 s GLU 37 N -0.46 3.54 -0.22 1.61 2.02 -1.26 -2.96 118.70 120.97 2ct4 s GLU 37 Ca 0.08 -0.27 -0.12 0.00 0.02 0.00 0.00 54.97 54.68 2ct4 s GLU 37 Cb -0.12 -2.83 -0.05 0.00 0.10 0.00 0.00 34.13 31.23 2ct4 s GLU 37 CO 0.02 0.41 0.22 0.16 0.02 0.00 0.00 175.26 176.09 2ct4 s ASP 38 N -3.00 6.22 -0.57 -0.19 -4.77 -1.24 -4.84 116.67 108.27 2ct4 s ASP 38 Ca 0.39 0.24 -0.07 0.00 -3.30 0.00 0.00 52.55 49.81 2ct4 s ASP 38 Cb -0.11 -2.14 0.15 0.00 -1.09 0.00 0.00 42.92 39.73 2ct4 s ASP 38 CO 0.28 0.05 0.43 -1.59 0.70 0.00 0.00 175.17 175.05 2ct4 s LYS 39 N 0.98 2.65 -1.08 2.11 -2.85 -1.26 -4.64 119.74 115.64 2ct4 s LYS 39 Ca 0.11 -2.12 0.00 0.00 -1.00 0.00 0.00 55.97 52.95 2ct4 s LYS 39 Cb -0.13 -3.92 0.00 0.00 -2.06 0.00 0.00 37.83 31.72 2ct4 s LYS 39 CO 0.04 -1.19 0.00 0.41 0.10 0.00 0.00 175.35 174.71 2ct4 n GLY 40 N 4.29 0.97 0.20 0.59 0.00 -1.26 -4.71 105.19 105.27 2ct4 n GLY 40 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.34 2.33 0.00 1.61 2.03 -1.26 -5.03 116.55 115.88 2ct4 n ASP 41 Ca -0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.21 2ct4 n ASP 41 Cb 0.43 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 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 2.54 0.86 3.18 0.27 0.00 -1.26 -5.03 105.19 105.74 2ct4 n GLY 42 Ca -0.28 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.00 2.89 -0.03 1.61 0.52 -1.26 -0.87 118.94 119.80 2ct4 s TRP 43 Ca 0.00 -1.49 0.04 0.00 0.02 0.00 0.00 56.10 54.67 2ct4 s TRP 43 Cb 0.00 -1.99 -0.00 0.00 -1.15 0.00 0.00 33.47 30.33 2ct4 s TRP 43 CO 0.00 -0.74 -0.13 0.99 0.02 0.00 0.00 176.95 177.09 2ct4 s THR 44 N 1.33 1.11 -0.18 2.01 2.01 0.23 -3.73 115.64 118.43 2ct4 s THR 44 Ca 0.04 -0.56 -0.07 0.00 0.31 0.00 0.00 61.69 61.40 2ct4 s THR 44 Cb -0.14 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 2ct4 s THR 44 CO -0.09 0.32 0.06 -0.60 -0.69 0.00 0.00 174.62 173.62 2ct4 s ARG 45 N -0.04 3.97 0.30 4.92 3.52 -1.16 0.13 118.95 130.59 2ct4 s ARG 45 Ca -0.00 -0.35 0.04 0.00 -0.13 0.00 0.00 55.73 55.29 2ct4 s ARG 45 Cb -0.08 -3.20 -0.06 0.00 -1.56 0.00 0.00 34.95 30.04 2ct4 s ARG 45 CO 0.01 0.28 0.02 0.14 -0.81 0.00 0.00 175.30 174.93 2ct4 s VAL 46 N 0.36 1.27 0.12 7.11 -7.23 -1.20 -1.74 120.40 119.09 2ct4 s VAL 46 Ca 0.03 -2.03 0.06 0.00 -1.81 0.00 0.00 61.98 58.23 2ct4 s VAL 46 Cb -0.12 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 2ct4 s VAL 46 CO 0.00 -0.13 -0.05 -0.60 -0.31 0.00 0.00 175.10 174.01 2ct4 s ARG 47 N -3.85 2.32 -0.04 4.82 3.52 -0.60 -3.61 118.95 121.52 2ct4 s ARG 47 Ca 0.33 -0.98 0.04 0.00 -0.13 0.00 0.00 55.73 54.99 2ct4 s ARG 47 Cb 0.07 -2.39 -0.03 0.00 -1.56 0.00 0.00 34.95 31.04 2ct4 s ARG 47 CO 0.13 0.51 -0.14 1.03 -0.81 0.00 0.00 175.30 176.02 2ct4 s ARG 48 N -2.41 2.48 0.43 5.12 0.52 -0.84 -1.95 118.95 122.31 2ct4 s ARG 48 Ca 0.24 -0.71 0.27 0.00 -0.52 0.00 0.00 55.73 55.01 2ct4 s ARG 48 Cb -0.11 -2.37 1.34 0.00 0.52 0.00 0.00 34.95 34.34 2ct4 s ARG 48 CO 0.16 0.62 1.67 -0.22 0.02 0.00 0.00 175.30 177.55 2ct4 h LYS 49 N 5.29 0.16 0.40 3.54 3.64 -1.91 -1.26 116.57 126.43 2ct4 h LYS 49 Ca -0.47 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.89 2ct4 h LYS 49 Cb 1.15 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2ct4 h LYS 49 CO 0.50 0.10 -0.22 0.93 -2.27 0.00 0.00 179.45 178.50 2ct4 h GLU 50 N 0.16 -0.55 0.00 1.90 3.07 -1.99 -3.47 114.58 113.71 2ct4 h GLU 50 Ca 0.76 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.65 2ct4 h GLU 50 Cb 2.29 0.12 0.00 0.00 -0.84 0.00 0.00 28.75 30.32 2ct4 h GLU 50 CO -0.38 -0.37 0.00 0.41 -1.40 0.00 0.00 179.01 177.28 2ct4 n GLY 51 N -1.29 0.00 3.16 -3.84 0.00 -0.48 -5.17 105.19 97.57 2ct4 n GLY 51 Ca -0.07 0.00 -0.18 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 0.83 0.03 -0.02 0.00 -1.25 -4.98 107.32 101.93 2ct4 s GLY 52 Ca 0.00 -0.95 0.01 0.00 0.00 0.00 0.00 44.72 43.79 2ct4 s GLY 52 CO 0.00 -0.97 -0.06 -0.54 0.00 0.00 0.00 173.10 171.53 2ct4 s GLU 53 N -1.61 0.44 -0.01 2.90 2.02 -1.26 -1.98 118.70 119.21 2ct4 s GLU 53 Ca -0.02 -0.67 -0.30 0.00 0.02 0.00 0.00 54.97 54.00 2ct4 s GLU 53 Cb -0.10 -0.16 0.10 0.00 0.10 0.00 0.00 34.13 34.08 2ct4 s GLU 53 CO 0.02 0.02 1.07 0.20 0.02 0.00 0.00 175.26 176.59 2ct4 s GLY 54 N -1.46 -0.35 -0.50 -1.39 0.00 -1.24 -4.58 107.32 97.80 2ct4 s GLY 54 Ca -0.11 0.84 -0.25 0.00 0.00 0.00 0.00 44.72 45.19 2ct4 s GLY 54 CO -0.00 0.24 0.96 -0.19 0.00 0.00 0.00 173.10 174.11 2ct4 s TYR 55 N -2.84 2.85 0.11 1.90 2.02 -0.63 -3.23 117.35 117.52 2ct4 s TYR 55 Ca 0.10 0.28 0.04 0.00 -0.37 0.00 0.00 57.07 57.12 2ct4 s TYR 55 Cb 0.00 -4.07 -0.04 0.00 -0.40 0.00 0.00 41.96 37.46 2ct4 s TYR 55 CO -0.04 -1.23 0.06 0.14 -1.57 0.00 0.00 175.55 172.91 2ct4 s VAL 56 N 3.94 4.30 -0.06 0.71 -7.23 0.12 -4.49 120.40 117.69 2ct4 s VAL 56 Ca 0.36 -0.95 -0.30 0.00 -1.81 0.00 0.00 61.98 59.28 2ct4 s VAL 56 Cb -0.10 -3.09 -0.05 0.00 0.56 0.00 0.00 36.38 33.69 2ct4 s VAL 56 CO 0.24 0.06 1.50 -2.16 -0.31 0.00 0.00 175.10 174.43 2ct4 s PRO 57 N -2.55 4.22 0.51 4.82 0.04 -1.26 -0.60 135.00 140.18 2ct4 s PRO 57 Ca 0.28 2.02 0.30 0.00 0.04 0.00 0.00 61.00 63.64 2ct4 s PRO 57 Cb -0.11 -3.82 1.40 0.00 0.04 0.00 0.00 34.50 32.01 2ct4 s PRO 57 CO 0.21 -0.74 1.85 1.15 0.04 0.00 0.00 177.00 179.50 2ct4 h THR 58 N 5.36 0.52 -0.47 1.26 2.02 -1.34 0.33 112.91 120.61 2ct4 h THR 58 Ca -0.36 -0.03 0.14 0.00 0.77 0.00 0.00 66.41 66.92 2ct4 h THR 58 Cb 1.16 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 2ct4 h THR 58 CO 0.94 0.02 0.34 0.28 0.37 0.00 0.00 175.52 177.47 2ct4 h SER 59 N 0.10 0.00 -0.60 4.18 0.02 -1.90 0.34 113.55 115.69 2ct4 h SER 59 Ca 0.49 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.35 2ct4 h SER 59 Cb 1.76 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 64.25 2ct4 h SER 59 CO -0.07 0.00 0.11 -1.22 -1.14 0.00 0.00 176.83 174.51 2ct4 n TYR 60 N -4.38 2.08 -4.04 3.45 4.02 0.12 -4.85 117.16 113.56 2ct4 n TYR 60 Ca 0.08 -0.86 -0.26 0.00 -0.01 0.00 0.00 57.90 56.86 2ct4 n TYR 60 Cb 0.55 -0.56 -0.17 0.00 -0.02 0.00 0.00 39.34 39.14 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 -2.61 1.23 -0.33 7.72 1.43 0.12 -1.66 118.68 124.57 2ct4 s LEU 61 Ca 0.50 -0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 53.31 2ct4 s LEU 61 Cb 0.39 -0.78 0.07 0.00 0.03 0.00 0.00 46.19 45.90 2ct4 s LEU 61 CO 0.14 -0.09 0.06 -0.60 0.23 0.00 0.00 176.35 176.09 2ct4 s ARG 62 N 1.49 2.27 0.14 1.70 3.52 -1.11 -4.94 118.95 122.01 2ct4 s ARG 62 Ca 0.00 -1.45 -0.34 0.00 -0.13 0.00 0.00 55.73 53.81 2ct4 s ARG 62 Cb -0.13 -3.30 -0.16 0.00 -1.56 0.00 0.00 34.95 29.79 2ct4 s ARG 62 CO -0.05 -0.76 1.22 0.28 -0.81 0.00 0.00 175.30 175.18 2ct4 n VAL 63 N 4.60 0.55 -5.05 7.11 0.31 -1.26 -2.81 118.33 121.78 2ct4 n VAL 63 Ca -0.09 -0.14 -0.29 0.00 -0.01 0.00 0.00 64.34 63.81 2ct4 n VAL 63 Cb 0.43 -0.81 -0.15 0.00 -0.91 0.00 0.00 33.84 32.40 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 0.06 1.87 -0.66 2.52 -1.32 0.20 -4.91 115.64 113.40 2ct4 s THR 64 Ca 0.78 -1.09 -0.15 0.00 -1.21 0.00 0.00 61.69 60.02 2ct4 s THR 64 Cb -0.90 -1.57 0.17 0.00 -1.51 0.00 0.00 72.50 68.69 2ct4 s THR 64 CO 0.50 0.45 0.60 -0.44 -2.21 0.00 0.00 174.62 173.53 2ct4 s SER 65 N -0.75 6.39 0.00 8.08 0.01 -1.26 -4.41 113.70 121.76 2ct4 s SER 65 Ca 0.09 -2.18 0.00 0.00 1.31 0.00 0.00 55.95 55.17 2ct4 s SER 65 Cb -0.09 -2.20 0.00 0.00 0.21 0.00 0.00 66.02 63.94 2ct4 s SER 65 CO -0.00 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 173.53 2ct4 n GLY 66 N 4.68 -0.95 0.00 3.44 0.00 -1.26 -4.86 105.19 106.25 2ct4 n GLY 66 Ca -0.02 -1.52 0.08 0.00 0.00 0.00 0.00 46.02 44.56 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 0.49 -1.11 1.61 -0.04 -1.26 -4.83 135.00 129.86 2ct4 n PRO 67 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 2ct4 n PRO 67 Cb 0.00 -1.48 -0.11 0.00 -0.04 0.00 0.00 33.50 31.86 2ct4 n PRO 67 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2ct4 n SER 68 N -0.98 0.14 -4.93 3.54 7.64 -1.26 -4.86 113.62 112.90 2ct4 n SER 68 Ca 0.11 0.10 -0.25 0.00 1.01 0.00 0.00 58.87 59.84 2ct4 n SER 68 Cb 0.05 -0.66 0.05 0.00 -1.01 0.00 0.00 64.21 62.64 2ct4 n SER 68 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2ct4 s SER 69 N 6.24 5.21 0.00 6.43 0.15 -1.26 -5.18 113.70 125.28 2ct4 s SER 69 Ca 1.00 0.45 0.00 0.00 0.70 0.00 0.00 55.95 58.10 2ct4 s SER 69 Cb -0.91 -1.29 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 2ct4 s SER 69 CO 0.36 -1.29 0.00 0.61 1.20 0.00 0.00 173.24 174.12