#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 2.15 -0.48 1.61 1.04 -1.26 -5.01 113.70 111.76 2ct4 s SER 2 Ca 0.00 1.59 0.02 0.00 0.48 0.00 0.00 55.95 58.03 2ct4 s SER 2 Cb 0.00 -2.26 0.13 0.00 0.10 0.00 0.00 66.02 63.99 2ct4 s SER 2 CO 0.00 -3.48 0.24 -0.55 0.98 0.00 0.00 173.24 170.42 2ct4 s SER 3 N -2.90 4.76 0.02 7.02 0.15 -1.26 -5.05 113.70 116.45 2ct4 s SER 3 Ca 0.66 -2.63 -0.06 0.00 0.70 0.00 0.00 55.95 54.63 2ct4 s SER 3 Cb -0.22 -1.71 0.02 0.00 -1.71 0.00 0.00 66.02 62.40 2ct4 s SER 3 CO 0.61 -0.34 0.28 0.61 1.20 0.00 0.00 173.24 175.60 2ct4 n GLY 4 N 3.69 0.87 3.40 9.45 0.00 -1.26 -5.16 105.19 116.18 2ct4 n GLY 4 Ca 0.04 -0.94 -0.00 0.00 0.00 0.00 0.00 46.02 45.12 2ct4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ct4 s SER 5 N -1.65 -1.07 -0.12 1.61 0.01 -1.26 -5.13 113.70 106.08 2ct4 s SER 5 Ca 0.07 1.21 -0.29 0.00 1.31 0.00 0.00 55.95 58.24 2ct4 s SER 5 Cb -0.00 2.11 -0.04 0.00 0.21 0.00 0.00 66.02 68.30 2ct4 s SER 5 CO 0.01 -0.24 1.52 -0.94 0.41 0.00 0.00 173.24 174.00 2ct4 s SER 6 N 2.84 6.70 0.00 2.44 1.04 -1.26 -4.40 113.70 121.06 2ct4 s SER 6 Ca 0.05 1.94 0.00 0.00 0.48 0.00 0.00 55.95 58.42 2ct4 s SER 6 Cb -0.13 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.45 2ct4 s SER 6 CO -0.19 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.70 2ct4 n GLY 7 N 4.07 -1.72 3.32 7.32 0.00 -1.26 -5.13 105.19 111.80 2ct4 n GLY 7 Ca 0.16 0.60 -0.08 0.00 0.00 0.00 0.00 46.02 46.70 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 -0.40 -0.13 -0.02 0.00 -1.26 -5.09 107.32 100.43 2ct4 s GLY 8 Ca 0.00 1.64 0.03 0.00 0.00 0.00 0.00 44.72 46.39 2ct4 s GLY 8 CO 0.00 2.25 -0.21 0.30 0.00 0.00 0.00 173.10 175.44 2ct4 s HIS 9 N 2.21 2.54 -0.01 1.90 0.09 -1.26 -2.97 115.29 117.80 2ct4 s HIS 9 Ca -0.05 -1.23 -0.11 0.00 -0.00 0.00 0.00 55.06 53.67 2ct4 s HIS 9 Cb -0.10 -1.73 0.01 0.00 -0.00 0.00 0.00 32.58 30.76 2ct4 s HIS 9 CO -0.14 -0.56 0.23 0.00 -0.00 0.00 0.00 174.74 174.28 2ct4 s VAL 11 N -1.29 0.84 0.15 0.00 -7.23 -1.07 -1.94 120.40 109.86 2ct4 s VAL 11 Ca -0.13 -0.45 -0.33 0.00 -1.81 0.00 0.00 61.98 59.25 2ct4 s VAL 11 Cb -0.06 -0.71 -0.13 0.00 0.56 0.00 0.00 36.38 36.04 2ct4 s VAL 11 CO 0.03 0.24 1.66 0.00 -0.31 0.00 0.00 175.10 176.72 2ct4 n ALA 12 N 2.86 1.74 0.01 1.32 0.00 -0.80 -1.88 120.51 123.75 2ct4 n ALA 12 Ca -0.14 0.41 -0.21 0.00 0.00 0.00 0.00 53.44 53.50 2ct4 n ALA 12 Cb 0.56 -2.43 -0.14 0.00 0.00 0.00 0.00 19.45 17.45 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 3.91 1.06 -3.85 0.00 2.04 -1.70 0.46 117.51 119.44 2ct4 h ILE 13 Ca -0.45 -2.41 -0.33 0.00 1.00 0.00 0.00 64.86 62.67 2ct4 h ILE 13 Cb 1.24 2.74 -0.20 0.00 -0.74 0.00 0.00 36.82 39.87 2ct4 h ILE 13 CO 0.91 0.70 -0.75 -0.31 0.00 0.00 0.00 178.15 178.71 2ct4 s TYR 14 N -2.47 1.01 -0.18 1.37 2.02 -1.26 -4.49 117.35 113.34 2ct4 s TYR 14 Ca -0.20 -0.56 -0.35 0.00 -0.37 0.00 0.00 57.07 55.59 2ct4 s TYR 14 Cb 0.04 -0.56 -0.12 0.00 -0.40 0.00 0.00 41.96 40.92 2ct4 s TYR 14 CO 0.77 -0.01 1.94 1.58 -1.57 0.00 0.00 175.55 178.26 2ct4 n HIS 15 N 0.98 2.14 -3.85 2.71 -0.00 -1.26 -4.63 115.22 111.30 2ct4 n HIS 15 Ca -0.19 0.12 -0.30 0.00 0.46 0.00 0.00 57.72 57.82 2ct4 n HIS 15 Cb 0.56 -2.61 -0.16 0.00 -0.12 0.00 0.00 29.99 27.66 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 4.86 2.00 -0.11 1.57 5.36 -1.21 -5.02 117.98 125.43 2ct4 s PHE 16 Ca 0.97 -1.60 -0.19 0.00 -0.96 0.00 0.00 56.93 55.15 2ct4 s PHE 16 Cb -0.76 -1.55 -0.04 0.00 -0.34 0.00 0.00 43.02 40.33 2ct4 s PHE 16 CO 0.53 -0.76 0.53 -2.00 -1.46 0.00 0.00 175.22 172.06 2ct4 s GLU 17 N 1.53 4.36 -1.06 10.12 2.12 -1.26 -1.62 118.70 132.88 2ct4 s GLU 17 Ca -0.00 0.55 -0.19 0.00 0.36 0.00 0.00 54.97 55.69 2ct4 s GLU 17 Cb -0.18 -3.44 0.10 0.00 0.26 0.00 0.00 34.13 30.87 2ct4 s GLU 17 CO -0.10 0.12 1.37 0.20 -0.54 0.00 0.00 175.26 176.31 2ct4 s GLY 18 N 0.69 1.74 -0.17 -1.50 0.00 -1.24 -4.77 107.32 102.07 2ct4 s GLY 18 Ca 0.29 -2.72 -0.23 0.00 0.00 0.00 0.00 44.72 42.06 2ct4 s GLY 18 CO 0.12 2.35 0.42 1.48 0.00 0.00 0.00 173.10 177.47 2ct4 h SER 19 N 8.70 0.05 -2.55 1.64 4.64 -1.92 -3.45 113.55 120.67 2ct4 h SER 19 Ca 0.24 -0.70 -0.55 0.00 -0.47 0.00 0.00 61.79 60.31 2ct4 h SER 19 Cb 0.97 -0.02 0.23 0.00 -0.31 0.00 0.00 62.40 63.27 2ct4 h SER 19 CO 1.29 1.37 -1.33 -0.24 -0.87 0.00 0.00 176.83 177.05 2ct4 n SER 20 N -4.41 -4.37 -1.98 4.97 2.88 -1.26 -4.73 113.62 104.72 2ct4 n SER 20 Ca -0.25 0.27 -0.11 0.00 -1.33 0.00 0.00 58.87 57.45 2ct4 n SER 20 Cb 0.66 -0.94 -0.15 0.00 -0.75 0.00 0.00 64.21 63.03 2ct4 n SER 20 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2ct4 n GLU 21 N 0.85 1.85 0.00 -1.46 0.28 -1.26 -3.65 120.64 117.25 2ct4 n GLU 21 Ca 0.02 -0.88 0.00 0.00 -0.16 0.00 0.00 57.16 56.13 2ct4 n GLU 21 Cb 0.55 -1.90 0.00 0.00 1.43 0.00 0.00 31.44 31.51 2ct4 n GLU 21 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2ct4 n GLY 22 N 2.43 -0.09 3.25 -1.84 0.00 -1.26 -5.18 105.19 102.51 2ct4 n GLY 22 Ca 0.38 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.34 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 0.12 0.16 2.61 -4.23 -1.24 -4.08 115.64 108.97 2ct4 s THR 23 Ca 0.00 -0.96 0.09 0.00 -1.18 0.00 0.00 61.69 59.64 2ct4 s THR 23 Cb 0.00 -1.28 -0.04 0.00 1.34 0.00 0.00 72.50 72.51 2ct4 s THR 23 CO 0.00 -0.53 -0.14 -0.51 -0.54 0.00 0.00 174.62 172.91 2ct4 s ILE 24 N -3.84 3.02 0.00 2.99 2.07 -1.26 -4.65 121.20 119.53 2ct4 s ILE 24 Ca 0.04 -1.61 -0.02 0.00 -1.41 0.00 0.00 60.65 57.65 2ct4 s ILE 24 Cb 0.04 -2.45 -0.04 0.00 0.13 0.00 0.00 42.46 40.14 2ct4 s ILE 24 CO -0.11 -0.03 0.16 -0.94 -1.91 0.00 0.00 174.94 172.11 2ct4 s SER 25 N -2.55 6.21 0.09 4.50 1.04 -1.26 -3.60 113.70 118.14 2ct4 s SER 25 Ca 0.22 0.28 -0.04 0.00 0.48 0.00 0.00 55.95 56.90 2ct4 s SER 25 Cb -0.09 -1.91 -0.03 0.00 0.10 0.00 0.00 66.02 64.09 2ct4 s SER 25 CO 0.13 0.25 0.07 0.00 0.98 0.00 0.00 173.24 174.67 2ct4 s MET 26 N -2.00 0.79 0.02 4.02 0.23 -0.64 -4.92 119.30 116.80 2ct4 s MET 26 Ca 0.28 -1.20 0.00 0.00 -1.03 0.00 0.00 55.69 53.74 2ct4 s MET 26 Cb -0.13 0.27 -0.04 0.00 -1.53 0.00 0.00 34.83 33.40 2ct4 s MET 26 CO 0.19 -0.21 0.09 0.00 -2.03 0.00 0.00 175.02 173.06 2ct4 s ALA 27 N -3.94 3.60 -0.39 3.16 0.00 -1.26 -3.33 121.76 119.60 2ct4 s ALA 27 Ca 0.11 -0.91 -0.31 0.00 0.00 0.00 0.00 51.96 50.86 2ct4 s ALA 27 Cb 0.07 -1.56 -0.09 0.00 0.00 0.00 0.00 23.12 21.54 2ct4 s ALA 27 CO -0.07 0.71 2.29 -1.91 0.00 0.00 0.00 175.76 176.79 2ct4 n GLU 28 N 0.95 1.24 -1.22 0.00 2.13 -1.26 -0.62 120.64 121.87 2ct4 n GLU 28 Ca -0.11 0.28 0.00 0.00 0.66 0.00 0.00 57.16 57.98 2ct4 n GLU 28 Cb 0.52 -2.82 0.00 0.00 0.27 0.00 0.00 31.44 29.41 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 6.21 1.03 3.88 8.31 0.00 0.16 -5.01 105.19 119.78 2ct4 n GLY 29 Ca 0.39 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.79 3.59 0.19 1.61 2.56 0.21 -4.85 118.70 119.21 2ct4 s GLU 30 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 54.97 54.60 2ct4 s GLU 30 Cb 0.00 -3.06 -0.08 0.00 2.00 0.00 0.00 34.13 32.99 2ct4 s GLU 30 CO 0.00 0.63 0.95 0.16 -0.56 0.00 0.00 175.26 176.45 2ct4 s ASP 31 N -1.77 7.58 0.12 -1.70 -4.77 -1.26 -1.90 116.67 112.96 2ct4 s ASP 31 Ca 0.29 1.90 0.01 0.00 -3.30 0.00 0.00 52.55 51.44 2ct4 s ASP 31 Cb -0.13 -2.60 -0.04 0.00 -1.09 0.00 0.00 42.92 39.05 2ct4 s ASP 31 CO 0.17 0.06 -0.01 -0.76 0.70 0.00 0.00 175.17 175.33 2ct4 s LEU 32 N -0.70 2.23 -0.33 2.11 1.43 -0.82 -4.78 118.68 117.82 2ct4 s LEU 32 Ca 0.44 -1.10 -0.07 0.00 -1.03 0.00 0.00 54.13 52.37 2ct4 s LEU 32 Cb -0.25 0.08 0.03 0.00 0.03 0.00 0.00 46.19 46.08 2ct4 s LEU 32 CO 0.31 -0.58 0.10 -0.44 0.23 0.00 0.00 176.35 175.97 2ct4 s SER 33 N -3.05 5.26 0.16 2.29 0.01 -0.19 -3.90 113.70 114.28 2ct4 s SER 33 Ca 0.17 -1.01 -0.32 0.00 1.31 0.00 0.00 55.95 56.10 2ct4 s SER 33 Cb 0.07 -1.87 -0.10 0.00 0.21 0.00 0.00 66.02 64.32 2ct4 s SER 33 CO -0.02 -0.29 1.61 -0.22 0.41 0.00 0.00 173.24 174.73 2ct4 s LEU 34 N 1.43 4.37 0.12 2.44 1.98 -1.16 0.03 118.68 127.90 2ct4 s LEU 34 Ca -0.00 2.65 0.00 0.00 -2.89 0.00 0.00 54.13 53.88 2ct4 s LEU 34 Cb -0.19 -3.59 0.00 0.00 0.66 0.00 0.00 46.19 43.07 2ct4 s LEU 34 CO 0.03 -0.86 0.00 0.23 -1.89 0.00 0.00 176.35 173.86 2ct4 n MET 35 N 4.17 0.00 -3.83 1.98 2.81 -0.09 -4.67 117.12 117.48 2ct4 n MET 35 Ca 0.14 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.67 2ct4 n MET 35 Cb 0.38 -0.43 -0.13 0.00 -0.71 0.00 0.00 33.22 32.33 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 -2.00 3.12 0.83 0.03 2.12 -0.76 -4.98 118.70 117.05 2ct4 s GLU 36 Ca 0.00 -0.82 -0.11 0.00 0.36 0.00 0.00 54.97 54.40 2ct4 s GLU 36 Cb 0.00 -3.22 0.09 0.00 0.26 0.00 0.00 34.13 31.26 2ct4 s GLU 36 CO 0.00 -0.38 1.09 -1.21 -0.54 0.00 0.00 175.26 174.22 2ct4 s GLU 37 N 1.46 1.77 -0.22 4.30 2.02 -1.26 -1.84 118.70 124.92 2ct4 s GLU 37 Ca 0.03 0.94 -0.05 0.00 0.02 0.00 0.00 54.97 55.90 2ct4 s GLU 37 Cb -0.16 -1.86 -0.02 0.00 0.10 0.00 0.00 34.13 32.19 2ct4 s GLU 37 CO 0.00 -1.92 0.00 0.16 0.02 0.00 0.00 175.26 173.53 2ct4 s ASP 38 N -3.47 4.72 -0.54 -0.19 -4.77 -1.25 -4.82 116.67 106.35 2ct4 s ASP 38 Ca 0.62 -0.27 -0.07 0.00 -3.30 0.00 0.00 52.55 49.52 2ct4 s ASP 38 Cb -0.17 -1.82 0.14 0.00 -1.09 0.00 0.00 42.92 39.98 2ct4 s ASP 38 CO 0.56 0.00 0.40 -0.54 0.70 0.00 0.00 175.17 176.29 2ct4 s LYS 39 N 1.36 2.55 -0.97 2.11 1.02 -1.26 -4.66 119.74 119.90 2ct4 s LYS 39 Ca 0.04 -2.03 0.00 0.00 0.02 0.00 0.00 55.97 54.00 2ct4 s LYS 39 Cb -0.15 -3.89 0.00 0.00 -0.52 0.00 0.00 37.83 33.28 2ct4 s LYS 39 CO 0.01 -1.18 0.00 0.41 -0.92 0.00 0.00 175.35 173.66 2ct4 n GLY 40 N 4.43 -0.22 0.02 -3.33 0.00 -1.26 -4.74 105.19 100.09 2ct4 n GLY 40 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.48 3.95 0.00 1.61 2.03 -1.26 -5.03 116.55 116.37 2ct4 n ASP 41 Ca -0.13 -0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.18 2ct4 n ASP 41 Cb 0.55 0.39 0.00 0.00 -0.72 0.00 0.00 41.12 41.34 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 2.93 0.60 3.17 0.27 0.00 -1.26 -5.03 105.19 105.87 2ct4 n GLY 42 Ca -0.07 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 2.75 -0.02 1.61 0.52 -1.26 -0.92 118.94 119.61 2ct4 s TRP 43 Ca 0.00 -1.41 0.06 0.00 0.02 0.00 0.00 56.10 54.77 2ct4 s TRP 43 Cb 0.00 -1.89 -0.01 0.00 -1.15 0.00 0.00 33.47 30.42 2ct4 s TRP 43 CO 0.00 -0.67 -0.19 0.99 0.02 0.00 0.00 176.95 177.10 2ct4 s THR 44 N 1.05 1.52 -0.27 2.01 2.01 0.38 -3.95 115.64 118.40 2ct4 s THR 44 Ca -0.01 -0.81 -0.09 0.00 0.31 0.00 0.00 61.69 61.09 2ct4 s THR 44 Cb -0.14 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 2ct4 s THR 44 CO -0.06 0.43 0.13 -0.60 -0.69 0.00 0.00 174.62 173.83 2ct4 s ARG 45 N -0.32 3.78 0.18 4.92 3.52 -0.77 -0.42 118.95 129.84 2ct4 s ARG 45 Ca 0.04 -0.42 0.09 0.00 -0.13 0.00 0.00 55.73 55.32 2ct4 s ARG 45 Cb -0.09 -3.50 -0.04 0.00 -1.56 0.00 0.00 34.95 29.76 2ct4 s ARG 45 CO 0.00 -0.20 -0.19 0.14 -0.81 0.00 0.00 175.30 174.24 2ct4 s VAL 46 N 1.68 1.99 0.15 7.11 -7.23 -1.15 -0.92 120.40 122.04 2ct4 s VAL 46 Ca 0.07 -2.01 0.06 0.00 -1.81 0.00 0.00 61.98 58.28 2ct4 s VAL 46 Cb -0.16 -1.96 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 2ct4 s VAL 46 CO 0.07 -0.30 0.06 -0.60 -0.31 0.00 0.00 175.10 174.02 2ct4 s ARG 47 N -2.89 2.66 0.12 4.82 3.52 0.10 -2.97 118.95 124.31 2ct4 s ARG 47 Ca 0.19 -0.94 0.05 0.00 -0.13 0.00 0.00 55.73 54.90 2ct4 s ARG 47 Cb -0.06 -2.53 -0.04 0.00 -1.56 0.00 0.00 34.95 30.76 2ct4 s ARG 47 CO 0.08 0.49 0.02 1.03 -0.81 0.00 0.00 175.30 176.11 2ct4 s ARG 48 N -2.86 2.56 0.32 5.12 0.52 -0.48 -1.02 118.95 123.11 2ct4 s ARG 48 Ca 0.29 -0.90 0.08 0.00 -0.52 0.00 0.00 55.73 54.67 2ct4 s ARG 48 Cb -0.10 -2.51 0.79 0.00 0.52 0.00 0.00 34.95 33.65 2ct4 s ARG 48 CO 0.21 0.51 1.77 -0.22 0.02 0.00 0.00 175.30 177.59 2ct4 h LYS 49 N 3.13 0.69 0.72 3.54 3.64 -1.90 -2.45 116.57 123.94 2ct4 h LYS 49 Ca -0.47 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 58.83 2ct4 h LYS 49 Cb 1.18 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.85 2ct4 h LYS 49 CO 0.60 0.45 -0.34 0.93 -2.27 0.00 0.00 179.45 178.82 2ct4 h GLU 50 N 0.71 -0.93 0.00 1.90 5.08 -2.00 -3.47 114.58 115.87 2ct4 h GLU 50 Ca 0.58 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 59.01 2ct4 h GLU 50 Cb 0.99 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2ct4 h GLU 50 CO -0.38 -0.62 0.00 0.41 -1.00 0.00 0.00 179.01 177.42 2ct4 n GLY 51 N -1.11 0.00 3.04 -3.84 0.00 -0.92 -5.16 105.19 97.20 2ct4 n GLY 51 Ca -0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 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 0.93 0.01 -0.02 0.00 -1.26 -4.92 107.32 102.07 2ct4 s GLY 52 Ca 0.00 -0.59 0.04 0.00 0.00 0.00 0.00 44.72 44.17 2ct4 s GLY 52 CO 0.00 0.20 -0.14 -1.83 0.00 0.00 0.00 173.10 171.33 2ct4 s GLU 53 N 0.87 1.03 0.38 2.90 -1.05 -1.26 -1.38 118.70 120.19 2ct4 s GLU 53 Ca -0.10 -0.61 -0.10 0.00 -0.15 0.00 0.00 54.97 54.02 2ct4 s GLU 53 Cb -0.15 -1.02 0.04 0.00 -0.44 0.00 0.00 34.13 32.56 2ct4 s GLU 53 CO 0.01 0.27 0.67 0.20 0.95 0.00 0.00 175.26 177.36 2ct4 s GLY 54 N -0.68 0.90 -0.40 -3.83 0.00 -1.16 -4.78 107.32 97.37 2ct4 s GLY 54 Ca 0.04 -1.11 -0.19 0.00 0.00 0.00 0.00 44.72 43.45 2ct4 s GLY 54 CO 0.00 -0.61 0.54 -0.19 0.00 0.00 0.00 173.10 172.84 2ct4 s TYR 55 N -2.45 3.14 0.13 1.90 2.02 -1.26 -2.94 117.35 117.89 2ct4 s TYR 55 Ca 0.22 -0.04 0.08 0.00 -0.37 0.00 0.00 57.07 56.96 2ct4 s TYR 55 Cb -0.03 -3.07 -0.04 0.00 -0.40 0.00 0.00 41.96 38.42 2ct4 s TYR 55 CO 0.16 -0.70 -0.12 0.14 -1.57 0.00 0.00 175.55 173.46 2ct4 s VAL 56 N 2.48 3.18 -0.06 0.71 -7.23 0.44 -4.34 120.40 115.58 2ct4 s VAL 56 Ca 0.18 -1.45 -0.30 0.00 -1.81 0.00 0.00 61.98 58.61 2ct4 s VAL 56 Cb -0.15 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.23 2ct4 s VAL 56 CO 0.15 0.04 1.49 -2.16 -0.31 0.00 0.00 175.10 174.32 2ct4 s PRO 57 N -2.39 4.22 0.35 4.82 0.04 -1.26 -0.47 135.00 140.32 2ct4 s PRO 57 Ca 0.22 2.02 0.14 0.00 0.04 0.00 0.00 61.00 63.42 2ct4 s PRO 57 Cb -0.10 -3.80 1.04 0.00 0.04 0.00 0.00 34.50 31.68 2ct4 s PRO 57 CO 0.13 -0.73 1.70 1.15 0.04 0.00 0.00 177.00 179.29 2ct4 h THR 58 N 5.32 0.41 -1.14 1.26 2.02 -1.38 0.40 112.91 119.80 2ct4 h THR 58 Ca -0.36 -0.14 0.32 0.00 0.77 0.00 0.00 66.41 66.99 2ct4 h THR 58 Cb 1.16 -0.04 -0.08 0.00 -1.74 0.00 0.00 68.15 67.45 2ct4 h THR 58 CO 0.94 0.08 0.77 0.77 0.37 0.00 0.00 175.52 178.45 2ct4 h SER 59 N 0.41 0.25 -0.82 4.18 4.64 -1.90 0.97 113.55 121.28 2ct4 h SER 59 Ca 0.69 0.06 -0.43 0.00 -0.47 0.00 0.00 61.79 61.64 2ct4 h SER 59 Cb 1.55 0.02 -0.25 0.00 -0.31 0.00 0.00 62.40 63.40 2ct4 h SER 59 CO -0.50 0.02 0.54 -1.22 -0.87 0.00 0.00 176.83 174.80 2ct4 n TYR 60 N -4.46 2.53 -3.79 4.77 4.02 0.14 -4.83 117.16 115.54 2ct4 n TYR 60 Ca 0.27 -1.62 -0.23 0.00 -0.01 0.00 0.00 57.90 56.30 2ct4 n TYR 60 Cb 1.09 -0.83 -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 -2.72 0.65 -0.30 7.72 1.43 0.34 -1.97 118.68 123.83 2ct4 s LEU 61 Ca 0.47 -0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 53.44 2ct4 s LEU 61 Cb 0.39 -0.48 0.05 0.00 0.03 0.00 0.00 46.19 46.19 2ct4 s LEU 61 CO 0.09 -0.19 0.01 -0.60 0.23 0.00 0.00 176.35 175.89 2ct4 s ARG 62 N 1.94 2.44 -0.21 1.70 3.52 -0.79 -4.93 118.95 122.62 2ct4 s ARG 62 Ca 0.05 -1.26 -0.34 0.00 -0.13 0.00 0.00 55.73 54.05 2ct4 s ARG 62 Cb -0.12 -3.21 -0.11 0.00 -1.56 0.00 0.00 34.95 29.95 2ct4 s ARG 62 CO -0.05 -0.63 2.04 0.28 -0.81 0.00 0.00 175.30 176.13 2ct4 n VAL 63 N 4.64 0.39 -0.31 7.11 0.31 -1.26 -2.60 118.33 126.61 2ct4 n VAL 63 Ca -0.13 -0.22 0.13 0.00 -0.01 0.00 0.00 64.34 64.11 2ct4 n VAL 63 Cb 0.43 -1.88 0.26 0.00 -0.91 0.00 0.00 33.84 31.74 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 6.27 -0.38 -4.48 2.52 -2.24 -1.03 -4.72 114.28 110.22 2ct4 n THR 64 Ca 0.30 1.98 -0.40 0.00 -2.27 0.00 0.00 64.05 63.67 2ct4 n THR 64 Cb 0.29 -2.89 -0.08 0.00 -2.10 0.00 0.00 70.33 65.55 2ct4 n THR 64 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2ct4 n SER 65 N -5.33 -1.43 -3.76 3.42 2.88 -1.26 -4.87 113.62 103.27 2ct4 n SER 65 Ca 0.21 -1.24 -0.28 0.00 -1.33 0.00 0.00 58.87 56.23 2ct4 n SER 65 Cb 0.68 -1.70 -0.12 0.00 -0.75 0.00 0.00 64.21 62.32 2ct4 n SER 65 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ct4 s GLY 66 N -3.46 2.24 0.97 0.46 0.00 -1.26 -5.11 107.32 101.16 2ct4 s GLY 66 Ca 0.68 -3.21 -0.12 0.00 0.00 0.00 0.00 44.72 42.06 2ct4 s GLY 66 CO 1.02 1.39 1.09 2.56 0.00 0.00 0.00 173.10 179.16 2ct4 s PRO 67 N -0.61 0.63 -1.35 2.90 0.04 -1.26 -4.03 135.00 131.32 2ct4 s PRO 67 Ca 0.24 0.59 -0.09 0.00 0.04 0.00 0.00 61.00 61.79 2ct4 s PRO 67 Cb -0.10 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 32.70 2ct4 s PRO 67 CO -0.12 -2.62 1.18 0.43 0.04 0.00 0.00 177.00 175.92 2ct4 n SER 68 N -4.11 -6.20 -4.57 6.66 7.64 -1.26 -4.88 113.62 106.91 2ct4 n SER 68 Ca 0.06 -0.55 -0.40 0.00 1.01 0.00 0.00 58.87 58.99 2ct4 n SER 68 Cb 0.57 -5.04 -0.03 0.00 -1.01 0.00 0.00 64.21 58.70 2ct4 n SER 68 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2ct4 s SER 69 N -3.37 5.47 0.00 6.43 0.01 -1.26 -5.32 113.70 115.67 2ct4 s SER 69 Ca 0.56 0.80 0.15 0.00 1.31 0.00 0.00 55.95 58.77 2ct4 s SER 69 Cb -0.25 -2.53 0.89 0.00 0.21 0.00 0.00 66.02 64.35 2ct4 s SER 69 CO 0.73 -2.14 1.31 0.61 0.41 0.00 0.00 173.24 174.16