#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 2.66 -0.39 1.61 1.04 -1.26 -5.11 113.70 112.26 2ct4 s SER 2 Ca 0.00 -0.66 -0.11 0.00 0.48 0.00 0.00 55.95 55.66 2ct4 s SER 2 Cb 0.00 -0.62 0.04 0.00 0.10 0.00 0.00 66.02 65.54 2ct4 s SER 2 CO 0.00 -0.27 0.22 -0.55 0.98 0.00 0.00 173.24 173.62 2ct4 s SER 3 N 1.84 5.71 -0.02 7.02 0.15 -1.26 -5.06 113.70 122.08 2ct4 s SER 3 Ca 0.00 -1.12 -0.00 0.00 0.70 0.00 0.00 55.95 55.53 2ct4 s SER 3 Cb -0.16 -2.01 0.03 0.00 -1.71 0.00 0.00 66.02 62.17 2ct4 s SER 3 CO -0.07 -0.43 0.03 -0.83 1.20 0.00 0.00 173.24 173.14 2ct4 s GLY 4 N 1.70 0.12 -0.29 9.45 0.00 -1.26 -5.13 107.32 111.91 2ct4 s GLY 4 Ca 0.02 0.29 -0.15 0.00 0.00 0.00 0.00 44.72 44.87 2ct4 s GLY 4 CO 0.06 0.75 0.90 -1.35 0.00 0.00 0.00 173.10 173.46 2ct4 s SER 5 N 1.17 -0.64 -0.37 1.64 1.04 -1.26 -5.14 113.70 110.14 2ct4 s SER 5 Ca -0.08 0.99 -0.13 0.00 0.48 0.00 0.00 55.95 57.20 2ct4 s SER 5 Cb -0.13 1.40 0.00 0.00 0.10 0.00 0.00 66.02 67.40 2ct4 s SER 5 CO -0.03 -0.15 0.26 -0.94 0.98 0.00 0.00 173.24 173.36 2ct4 s SER 6 N 1.71 6.04 0.00 7.02 1.04 -1.26 -4.99 113.70 123.27 2ct4 s SER 6 Ca -0.08 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.70 2ct4 s SER 6 Cb -0.05 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.94 2ct4 s SER 6 CO -0.17 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.33 2ct4 n GLY 7 N 5.12 3.18 3.89 7.32 0.00 -1.26 -5.16 105.19 118.27 2ct4 n GLY 7 Ca -0.12 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 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 2.24 -0.21 -0.02 0.00 -1.26 -5.01 107.32 103.07 2ct4 s GLY 8 Ca 0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 44.72 44.26 2ct4 s GLY 8 CO 0.00 -0.36 -0.13 0.30 0.00 0.00 0.00 173.10 172.91 2ct4 s HIS 9 N -1.72 2.93 0.04 1.90 0.09 -1.26 -2.28 115.29 114.99 2ct4 s HIS 9 Ca 0.43 -1.57 -0.00 0.00 -0.00 0.00 0.00 55.06 53.92 2ct4 s HIS 9 Cb -0.12 -1.99 -0.03 0.00 -0.00 0.00 0.00 32.58 30.45 2ct4 s HIS 9 CO 0.24 -0.75 -0.04 0.00 -0.00 0.00 0.00 174.74 174.19 2ct4 s VAL 11 N -2.49 1.06 0.09 0.00 -7.23 -1.11 -2.00 120.40 108.72 2ct4 s VAL 11 Ca -0.05 -0.48 -0.36 0.00 -1.81 0.00 0.00 61.98 59.27 2ct4 s VAL 11 Cb -0.02 -0.95 -0.16 0.00 0.56 0.00 0.00 36.38 35.81 2ct4 s VAL 11 CO -0.04 0.33 1.38 0.00 -0.31 0.00 0.00 175.10 176.45 2ct4 n ALA 12 N 3.48 -0.59 -0.01 1.32 0.00 -0.76 -2.38 120.51 121.58 2ct4 n ALA 12 Ca -0.20 0.50 -0.21 0.00 0.00 0.00 0.00 53.44 53.53 2ct4 n ALA 12 Cb 0.53 -2.12 -0.14 0.00 0.00 0.00 0.00 19.45 17.72 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 3.40 1.09 -3.65 0.00 2.04 -1.54 0.47 117.51 119.32 2ct4 h ILE 13 Ca -0.47 -2.38 -0.30 0.00 1.00 0.00 0.00 64.86 62.71 2ct4 h ILE 13 Cb 1.32 2.73 -0.16 0.00 -0.74 0.00 0.00 36.82 39.97 2ct4 h ILE 13 CO 0.80 0.65 -0.72 -0.31 0.00 0.00 0.00 178.15 178.57 2ct4 s TYR 14 N -2.44 1.08 -0.17 1.37 2.02 -1.26 -4.49 117.35 113.46 2ct4 s TYR 14 Ca -0.21 -0.74 -0.29 0.00 -0.37 0.00 0.00 57.07 55.46 2ct4 s TYR 14 Cb 0.04 -0.58 -0.06 0.00 -0.40 0.00 0.00 41.96 40.96 2ct4 s TYR 14 CO 0.74 -0.01 2.18 1.58 -1.57 0.00 0.00 175.55 178.47 2ct4 n HIS 15 N 0.20 2.07 -5.08 2.71 -0.00 -1.26 -4.49 115.22 109.37 2ct4 n HIS 15 Ca -0.13 -0.17 -0.32 0.00 -0.00 0.00 0.00 57.72 57.10 2ct4 n HIS 15 Cb 0.59 -2.74 -0.17 0.00 -0.00 0.00 0.00 29.99 27.67 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 7.55 2.54 -0.19 1.57 2.19 -1.23 -5.01 117.98 125.40 2ct4 s PHE 16 Ca 0.99 -1.09 -0.03 0.00 0.33 0.00 0.00 56.93 57.13 2ct4 s PHE 16 Cb -0.37 -1.71 -0.01 0.00 -1.31 0.00 0.00 43.02 39.63 2ct4 s PHE 16 CO 0.37 -0.45 -0.07 -1.83 1.83 0.00 0.00 175.22 175.06 2ct4 s GLU 17 N 0.45 3.39 -1.15 10.12 -1.05 -1.26 -1.23 118.70 127.97 2ct4 s GLU 17 Ca -0.16 -0.64 -0.20 0.00 -0.15 0.00 0.00 54.97 53.82 2ct4 s GLU 17 Cb -0.17 -2.88 0.07 0.00 -0.44 0.00 0.00 34.13 30.70 2ct4 s GLU 17 CO 0.07 -0.05 1.55 0.20 0.95 0.00 0.00 175.26 177.98 2ct4 s GLY 18 N 1.07 1.55 -0.38 -3.83 0.00 -1.23 -4.83 107.32 99.68 2ct4 s GLY 18 Ca 0.01 -2.66 -0.02 0.00 0.00 0.00 0.00 44.72 42.04 2ct4 s GLY 18 CO -0.01 2.62 2.37 1.44 0.00 0.00 0.00 173.10 179.51 2ct4 n SER 19 N 8.28 6.48 -3.54 1.64 7.64 -1.26 -4.74 113.62 128.12 2ct4 n SER 19 Ca 0.40 -3.13 -0.17 0.00 1.01 0.00 0.00 58.87 56.98 2ct4 n SER 19 Cb 0.48 -1.14 -0.06 0.00 -1.01 0.00 0.00 64.21 62.49 2ct4 n SER 19 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2ct4 s SER 20 N 0.23 -0.58 -0.72 6.43 0.15 -1.26 -5.08 113.70 112.87 2ct4 s SER 20 Ca 0.44 0.54 -0.26 0.00 0.70 0.00 0.00 55.95 57.38 2ct4 s SER 20 Cb 0.31 0.52 -0.06 0.00 -1.71 0.00 0.00 66.02 65.08 2ct4 s SER 20 CO -0.09 -0.63 2.10 -0.70 1.20 0.00 0.00 173.24 175.11 2ct4 s GLU 21 N -1.55 2.30 0.00 5.44 2.12 -1.26 -2.38 118.70 123.38 2ct4 s GLU 21 Ca -0.10 0.44 0.00 0.00 0.36 0.00 0.00 54.97 55.67 2ct4 s GLU 21 Cb -0.01 -4.72 0.00 0.00 0.26 0.00 0.00 34.13 29.66 2ct4 s GLU 21 CO 0.06 -3.39 0.00 0.41 -0.54 0.00 0.00 175.26 171.80 2ct4 n GLY 22 N 6.35 4.66 3.82 -1.50 0.00 -1.26 -5.07 105.19 112.19 2ct4 n GLY 22 Ca 0.35 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 4.01 0.10 2.61 -4.23 -1.00 -0.11 115.64 117.03 2ct4 s THR 23 Ca 0.00 0.68 0.09 0.00 -1.18 0.00 0.00 61.69 61.27 2ct4 s THR 23 Cb 0.00 -3.40 -0.04 0.00 1.34 0.00 0.00 72.50 70.41 2ct4 s THR 23 CO 0.00 -0.83 -0.22 -0.51 -0.54 0.00 0.00 174.62 172.52 2ct4 s ILE 24 N -2.99 1.80 -0.15 2.99 2.07 -1.26 -4.62 121.20 119.03 2ct4 s ILE 24 Ca 0.58 -1.57 -0.14 0.00 -1.41 0.00 0.00 60.65 58.11 2ct4 s ILE 24 Cb -0.14 -1.62 -0.05 0.00 0.13 0.00 0.00 42.46 40.78 2ct4 s ILE 24 CO 0.53 -0.03 0.32 -0.94 -1.91 0.00 0.00 174.94 172.91 2ct4 s SER 25 N -1.91 6.48 0.39 4.50 1.04 -1.26 -3.57 113.70 119.36 2ct4 s SER 25 Ca 0.08 0.56 0.04 0.00 0.48 0.00 0.00 55.95 57.10 2ct4 s SER 25 Cb -0.10 -2.20 -0.04 0.00 0.10 0.00 0.00 66.02 63.78 2ct4 s SER 25 CO 0.04 0.10 0.07 0.00 0.98 0.00 0.00 173.24 174.44 2ct4 s MET 26 N 0.41 1.85 0.08 4.02 0.23 -0.37 -4.93 119.30 120.58 2ct4 s MET 26 Ca 0.18 -2.09 0.08 0.00 -1.03 0.00 0.00 55.69 52.83 2ct4 s MET 26 Cb -0.13 -0.92 -0.04 0.00 -1.53 0.00 0.00 34.83 32.21 2ct4 s MET 26 CO 0.05 -0.31 -0.19 0.00 -2.03 0.00 0.00 175.02 172.54 2ct4 s ALA 27 N -3.17 2.60 -0.26 3.16 0.00 -1.26 -3.57 121.76 119.26 2ct4 s ALA 27 Ca 0.28 -1.28 -0.32 0.00 0.00 0.00 0.00 51.96 50.64 2ct4 s ALA 27 Cb 0.06 -0.67 -0.09 0.00 0.00 0.00 0.00 23.12 22.42 2ct4 s ALA 27 CO 0.14 0.58 2.17 -1.91 0.00 0.00 0.00 175.76 176.74 2ct4 n GLU 28 N 1.23 1.60 -1.81 0.00 2.13 -1.26 -0.93 120.64 121.60 2ct4 n GLU 28 Ca -0.16 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.12 2ct4 n GLU 28 Cb 0.52 -2.83 0.00 0.00 0.27 0.00 0.00 31.44 29.40 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 5.97 0.76 3.83 8.31 0.00 0.16 -5.00 105.19 119.21 2ct4 n GLY 29 Ca 0.34 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.74 3.30 0.24 1.61 2.56 -0.10 -4.85 118.70 117.72 2ct4 s GLU 30 Ca 0.00 -0.25 -0.30 0.00 0.00 0.00 0.00 54.97 54.42 2ct4 s GLU 30 Cb 0.00 -3.06 -0.09 0.00 2.00 0.00 0.00 34.13 32.98 2ct4 s GLU 30 CO 0.00 0.74 1.21 -0.51 -0.56 0.00 0.00 175.26 176.13 2ct4 s ASP 31 N -1.17 7.05 0.09 -1.70 1.01 -1.26 -1.82 116.67 118.87 2ct4 s ASP 31 Ca 0.17 2.36 0.02 0.00 0.71 0.00 0.00 52.55 55.80 2ct4 s ASP 31 Cb -0.12 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.15 2ct4 s ASP 31 CO 0.06 -0.36 -0.07 -0.76 0.21 0.00 0.00 175.17 174.26 2ct4 s LEU 32 N -0.86 2.49 -0.41 1.23 1.43 -0.85 -4.51 118.68 117.20 2ct4 s LEU 32 Ca 0.50 -0.97 -0.08 0.00 -1.03 0.00 0.00 54.13 52.56 2ct4 s LEU 32 Cb -0.34 -0.08 0.08 0.00 0.03 0.00 0.00 46.19 45.88 2ct4 s LEU 32 CO 0.41 -0.45 0.23 -0.55 0.23 0.00 0.00 176.35 176.23 2ct4 s SER 33 N -2.92 5.52 0.11 2.29 0.15 -0.71 -3.91 113.70 114.23 2ct4 s SER 33 Ca 0.10 -1.58 -0.32 0.00 0.70 0.00 0.00 55.95 54.85 2ct4 s SER 33 Cb 0.04 -1.94 -0.11 0.00 -1.71 0.00 0.00 66.02 62.30 2ct4 s SER 33 CO -0.04 -0.52 1.83 -0.11 1.20 0.00 0.00 173.24 175.60 2ct4 n LEU 34 N 4.84 3.97 0.02 3.45 -0.00 -0.96 -1.48 117.00 126.84 2ct4 n LEU 34 Ca -0.09 0.99 0.00 0.00 -0.00 0.00 0.00 56.01 56.91 2ct4 n LEU 34 Cb 0.43 -1.53 0.00 0.00 -0.00 0.00 0.00 43.42 42.32 2ct4 n LEU 34 CO 0.37 0.14 0.00 0.23 -0.00 0.00 0.00 177.39 178.13 2ct4 n MET 35 N 5.59 0.00 -3.53 1.96 2.81 -0.04 -4.03 117.12 119.89 2ct4 n MET 35 Ca 0.18 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.67 2ct4 n MET 35 Cb 0.36 -0.17 -0.11 0.00 -0.71 0.00 0.00 33.22 32.60 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 3.38 0.75 0.03 -6.30 -0.73 -4.95 118.70 109.50 2ct4 s GLU 36 Ca 0.00 -0.72 -0.11 0.00 -2.50 0.00 0.00 54.97 51.64 2ct4 s GLU 36 Cb 0.00 -3.82 0.05 0.00 0.00 0.00 0.00 34.13 30.35 2ct4 s GLU 36 CO 0.00 -0.50 1.09 -1.21 0.02 0.00 0.00 175.26 174.66 2ct4 s GLU 37 N 1.71 2.39 -0.25 4.30 2.02 -1.26 -1.79 118.70 125.82 2ct4 s GLU 37 Ca 0.06 1.16 -0.07 0.00 0.02 0.00 0.00 54.97 56.14 2ct4 s GLU 37 Cb -0.18 -1.91 -0.02 0.00 0.10 0.00 0.00 34.13 32.12 2ct4 s GLU 37 CO 0.10 -1.54 0.05 0.16 0.02 0.00 0.00 175.26 174.06 2ct4 s ASP 38 N -3.38 4.98 -0.52 -0.19 -4.77 -1.24 -4.80 116.67 106.76 2ct4 s ASP 38 Ca 0.61 -0.33 -0.07 0.00 -3.30 0.00 0.00 52.55 49.46 2ct4 s ASP 38 Cb -0.17 -1.88 0.13 0.00 -1.09 0.00 0.00 42.92 39.91 2ct4 s ASP 38 CO 0.55 -0.06 0.37 -0.54 0.70 0.00 0.00 175.17 176.18 2ct4 s LYS 39 N 1.57 2.48 -1.23 2.11 1.02 -1.26 -4.65 119.74 119.78 2ct4 s LYS 39 Ca 0.06 -1.98 0.00 0.00 0.02 0.00 0.00 55.97 54.06 2ct4 s LYS 39 Cb -0.15 -3.85 0.00 0.00 -0.52 0.00 0.00 37.83 33.30 2ct4 s LYS 39 CO 0.02 -1.17 0.00 0.41 -0.92 0.00 0.00 175.35 173.69 2ct4 n GLY 40 N 4.49 0.25 0.02 -3.33 0.00 -1.26 -4.74 105.19 100.62 2ct4 n GLY 40 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.24 3.77 0.00 1.61 5.75 -1.26 -5.04 116.55 120.14 2ct4 n ASP 41 Ca -0.14 -0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.62 2ct4 n ASP 41 Cb 0.54 0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 2ct4 n ASP 41 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ct4 n GLY 42 N 3.24 0.71 3.17 6.12 0.00 -1.26 -5.03 105.19 112.13 2ct4 n GLY 42 Ca -0.07 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 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 2.70 -0.09 1.61 0.52 -1.26 -1.19 118.94 119.23 2ct4 s TRP 43 Ca 0.00 -1.37 0.01 0.00 0.02 0.00 0.00 56.10 54.76 2ct4 s TRP 43 Cb 0.00 -1.84 0.02 0.00 -1.15 0.00 0.00 33.47 30.50 2ct4 s TRP 43 CO 0.00 -0.64 -0.09 0.99 0.02 0.00 0.00 176.95 177.23 2ct4 s THR 44 N 0.90 1.02 -0.35 2.01 2.01 0.49 -3.63 115.64 118.11 2ct4 s THR 44 Ca -0.05 -0.35 -0.22 0.00 0.31 0.00 0.00 61.69 61.38 2ct4 s THR 44 Cb -0.15 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.37 2ct4 s THR 44 CO -0.04 0.35 0.72 -0.60 -0.69 0.00 0.00 174.62 174.36 2ct4 s ARG 45 N 1.21 3.76 0.22 4.92 3.52 -0.74 -1.64 118.95 130.19 2ct4 s ARG 45 Ca -0.04 0.24 0.10 0.00 -0.13 0.00 0.00 55.73 55.90 2ct4 s ARG 45 Cb -0.14 -3.80 -0.05 0.00 -1.56 0.00 0.00 34.95 29.41 2ct4 s ARG 45 CO -0.03 -0.77 -0.18 0.14 -0.81 0.00 0.00 175.30 173.65 2ct4 s VAL 46 N 2.91 2.05 0.30 7.11 -7.23 -1.16 -0.86 120.40 123.51 2ct4 s VAL 46 Ca 0.28 -2.18 0.08 0.00 -1.81 0.00 0.00 61.98 58.35 2ct4 s VAL 46 Cb -0.14 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.69 2ct4 s VAL 46 CO 0.15 -0.42 0.22 -0.60 -0.31 0.00 0.00 175.10 174.14 2ct4 s ARG 47 N -3.29 2.74 0.01 4.82 3.52 -0.55 -3.04 118.95 123.16 2ct4 s ARG 47 Ca 0.23 -1.23 0.05 0.00 -0.13 0.00 0.00 55.73 54.65 2ct4 s ARG 47 Cb -0.04 -2.46 -0.03 0.00 -1.56 0.00 0.00 34.95 30.86 2ct4 s ARG 47 CO 0.10 0.24 -0.14 1.03 -0.81 0.00 0.00 175.30 175.72 2ct4 s ARG 48 N -3.90 2.33 0.32 5.12 0.52 0.71 -1.74 118.95 122.30 2ct4 s ARG 48 Ca 0.37 -0.83 0.05 0.00 -0.52 0.00 0.00 55.73 54.79 2ct4 s ARG 48 Cb -0.06 -2.33 0.84 0.00 0.52 0.00 0.00 34.95 33.91 2ct4 s ARG 48 CO 0.25 0.58 1.55 1.17 0.02 0.00 0.00 175.30 178.87 2ct4 n LYS 49 N 1.74 -0.08 0.25 3.54 4.81 -1.26 -1.21 118.16 125.95 2ct4 n LYS 49 Ca -0.16 1.47 -0.10 0.00 -0.87 0.00 0.00 58.31 58.65 2ct4 n LYS 49 Cb 0.52 -2.37 -0.05 0.00 0.02 0.00 0.00 35.03 33.15 2ct4 n LYS 49 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2ct4 h GLU 50 N 0.00 -0.62 0.00 1.64 5.08 -1.97 -3.47 114.58 115.24 2ct4 h GLU 50 Ca 0.63 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 59.04 2ct4 h GLU 50 Cb 1.38 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.77 2ct4 h GLU 50 CO -0.91 -0.41 0.00 0.41 -1.00 0.00 0.00 179.01 177.10 2ct4 n GLY 51 N -0.91 0.00 3.04 -3.84 0.00 -0.35 -5.16 105.19 97.97 2ct4 n GLY 51 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 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 0.78 0.11 -0.02 0.00 -1.25 -4.90 107.32 102.05 2ct4 s GLY 52 Ca 0.00 -0.44 0.06 0.00 0.00 0.00 0.00 44.72 44.34 2ct4 s GLY 52 CO 0.00 0.03 -0.15 -1.83 0.00 0.00 0.00 173.10 171.15 2ct4 s GLU 53 N 0.52 1.00 -0.06 2.90 1.03 -1.26 -0.21 118.70 122.62 2ct4 s GLU 53 Ca -0.12 -1.18 -0.32 0.00 0.03 0.00 0.00 54.97 53.39 2ct4 s GLU 53 Cb -0.14 -0.95 0.13 0.00 -0.80 0.00 0.00 34.13 32.37 2ct4 s GLU 53 CO 0.03 0.19 1.37 0.20 -1.33 0.00 0.00 175.26 175.72 2ct4 s GLY 54 N -2.26 -0.45 -0.54 -3.83 0.00 -1.17 -4.60 107.32 94.47 2ct4 s GLY 54 Ca 0.07 0.80 -0.23 0.00 0.00 0.00 0.00 44.72 45.36 2ct4 s GLY 54 CO 0.03 0.46 0.89 -0.19 0.00 0.00 0.00 173.10 174.30 2ct4 s TYR 55 N -2.19 2.84 0.12 1.90 2.02 0.84 -3.00 117.35 119.87 2ct4 s TYR 55 Ca 0.15 -0.08 0.05 0.00 -0.37 0.00 0.00 57.07 56.83 2ct4 s TYR 55 Cb 0.06 -3.99 -0.04 0.00 -0.40 0.00 0.00 41.96 37.59 2ct4 s TYR 55 CO -0.05 -1.29 0.01 0.14 -1.57 0.00 0.00 175.55 172.78 2ct4 s VAL 56 N 3.74 3.97 -0.21 0.71 -7.23 -0.65 -4.24 120.40 116.49 2ct4 s VAL 56 Ca 0.28 -1.10 -0.29 0.00 -1.81 0.00 0.00 61.98 59.06 2ct4 s VAL 56 Cb -0.13 -2.93 -0.03 0.00 0.56 0.00 0.00 36.38 33.85 2ct4 s VAL 56 CO 0.18 0.05 1.60 -2.16 -0.31 0.00 0.00 175.10 174.46 2ct4 s PRO 57 N -2.52 3.83 0.40 4.82 0.04 -1.26 -0.37 135.00 139.94 2ct4 s PRO 57 Ca 0.26 1.69 0.23 0.00 0.04 0.00 0.00 61.00 63.22 2ct4 s PRO 57 Cb -0.11 -4.02 1.28 0.00 0.04 0.00 0.00 34.50 31.69 2ct4 s PRO 57 CO 0.19 -1.24 1.65 1.15 0.04 0.00 0.00 177.00 178.78 2ct4 h THR 58 N 6.08 0.20 -1.02 1.26 2.02 -1.49 0.46 112.91 120.42 2ct4 h THR 58 Ca -0.34 -0.06 0.29 0.00 0.77 0.00 0.00 66.41 67.08 2ct4 h THR 58 Cb 1.15 0.01 -0.13 0.00 -1.74 0.00 0.00 68.15 67.44 2ct4 h THR 58 CO 1.00 0.03 0.60 0.28 0.37 0.00 0.00 175.52 177.80 2ct4 h SER 59 N 0.18 0.56 -0.46 4.18 0.02 -1.90 1.04 113.55 117.17 2ct4 h SER 59 Ca 0.77 0.16 -0.23 0.00 -0.84 0.00 0.00 61.79 61.65 2ct4 h SER 59 Cb 2.15 0.08 -0.14 0.00 0.14 0.00 0.00 62.40 64.64 2ct4 h SER 59 CO -0.51 -0.03 0.29 -1.22 -1.14 0.00 0.00 176.83 174.23 2ct4 n TYR 60 N -4.93 1.42 -3.87 3.45 4.02 0.16 -4.78 117.16 112.62 2ct4 n TYR 60 Ca 0.30 -1.09 -0.22 0.00 -0.01 0.00 0.00 57.90 56.88 2ct4 n TYR 60 Cb 0.90 -0.56 -0.17 0.00 -0.02 0.00 0.00 39.34 39.49 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 -1.54 0.81 -0.31 7.72 1.43 0.36 -1.42 118.68 125.73 2ct4 s LEU 61 Ca 0.27 -0.09 -0.03 0.00 -1.03 0.00 0.00 54.13 53.25 2ct4 s LEU 61 Cb 0.22 -0.42 0.05 0.00 0.03 0.00 0.00 46.19 46.07 2ct4 s LEU 61 CO 0.05 -0.15 0.03 -0.60 0.23 0.00 0.00 176.35 175.91 2ct4 s ARG 62 N 1.65 2.48 -0.19 1.70 3.52 -1.00 -4.92 118.95 122.18 2ct4 s ARG 62 Ca 0.00 -1.24 -0.32 0.00 -0.13 0.00 0.00 55.73 54.04 2ct4 s ARG 62 Cb -0.13 -3.25 -0.09 0.00 -1.56 0.00 0.00 34.95 29.92 2ct4 s ARG 62 CO -0.04 -0.63 2.09 0.28 -0.81 0.00 0.00 175.30 176.19 2ct4 n VAL 63 N 4.67 0.42 -1.31 7.11 0.31 -1.26 -2.74 118.33 125.53 2ct4 n VAL 63 Ca -0.13 -0.27 -0.38 0.00 -0.01 0.00 0.00 64.34 63.54 2ct4 n VAL 63 Cb 0.44 -2.10 0.02 0.00 -0.91 0.00 0.00 33.84 31.29 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 6.63 0.89 -2.64 2.52 -2.24 -0.83 -4.90 114.28 113.69 2ct4 n THR 64 Ca 0.30 -0.49 -0.35 0.00 -2.27 0.00 0.00 64.05 61.24 2ct4 n THR 64 Cb 0.34 -0.28 -0.05 0.00 -2.10 0.00 0.00 70.33 68.24 2ct4 n THR 64 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2ct4 s SER 65 N -1.09 6.68 -0.37 3.42 0.15 -1.26 -5.02 113.70 116.21 2ct4 s SER 65 Ca 0.61 1.88 -0.03 0.00 0.70 0.00 0.00 55.95 59.11 2ct4 s SER 65 Cb -0.45 -2.56 0.23 0.00 -1.71 0.00 0.00 66.02 61.53 2ct4 s SER 65 CO 0.62 -0.54 1.08 0.61 1.20 0.00 0.00 173.24 176.21 2ct4 n GLY 66 N -0.16 -1.43 3.72 9.45 0.00 -1.26 -5.15 105.19 110.37 2ct4 n GLY 66 Ca 0.07 1.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.67 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 0.67 4.35 0.10 1.61 0.04 -1.26 -4.95 135.00 135.56 2ct4 s PRO 67 Ca 0.26 2.04 -0.16 0.00 0.04 0.00 0.00 61.00 63.18 2ct4 s PRO 67 Cb 0.15 -3.24 -0.07 0.00 0.04 0.00 0.00 34.50 31.37 2ct4 s PRO 67 CO -0.11 -0.36 1.46 0.77 0.04 0.00 0.00 177.00 178.81 2ct4 h SER 68 N 6.31 0.64 -3.43 6.66 0.02 -2.06 -3.40 113.55 118.29 2ct4 h SER 68 Ca -0.43 -0.41 -0.60 0.00 -0.84 0.00 0.00 61.79 59.51 2ct4 h SER 68 Cb 1.21 -0.18 -0.10 0.00 0.14 0.00 0.00 62.40 63.47 2ct4 h SER 68 CO 0.83 0.91 0.42 -0.94 -1.14 0.00 0.00 176.83 176.91 2ct4 s SER 69 N -6.31 6.68 0.00 3.07 1.04 -1.26 -5.38 113.70 111.54 2ct4 s SER 69 Ca -0.13 0.68 0.00 0.00 0.48 0.00 0.00 55.95 56.98 2ct4 s SER 69 Cb 0.08 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.79 2ct4 s SER 69 CO 0.80 -0.63 0.31 0.61 0.98 0.00 0.00 173.24 175.30