#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cu8 s SER 2 N 0.00 3.83 0.49 1.61 0.15 -1.26 -5.12 113.70 113.40 2cu8 s SER 2 Ca 0.00 -1.18 0.06 0.00 0.70 0.00 0.00 55.95 55.53 2cu8 s SER 2 Cb 0.00 -1.16 0.00 0.00 -1.71 0.00 0.00 66.02 63.15 2cu8 s SER 2 CO 0.00 -0.24 0.28 -0.44 1.20 0.00 0.00 173.24 174.04 2cu8 s SER 3 N 1.41 4.54 -0.34 5.45 0.01 -1.26 -5.08 113.70 118.43 2cu8 s SER 3 Ca -0.05 -1.21 0.15 0.00 1.31 0.00 0.00 55.95 56.15 2cu8 s SER 3 Cb -0.19 0.09 0.44 0.00 0.21 0.00 0.00 66.02 66.58 2cu8 s SER 3 CO -0.06 -0.87 1.20 0.61 0.41 0.00 0.00 173.24 174.52 2cu8 n GLY 4 N -1.53 1.59 3.91 3.44 0.00 -1.26 -5.13 105.19 106.22 2cu8 n GLY 4 Ca -0.04 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 45.03 2cu8 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cu8 s SER 5 N -2.36 4.83 0.07 1.61 0.01 -1.26 -5.15 113.70 111.45 2cu8 s SER 5 Ca 0.23 -1.02 -0.27 0.00 1.31 0.00 0.00 55.95 56.20 2cu8 s SER 5 Cb 0.41 0.04 0.08 0.00 0.21 0.00 0.00 66.02 66.77 2cu8 s SER 5 CO -0.04 -0.97 0.85 -0.44 0.41 0.00 0.00 173.24 173.06 2cu8 s SER 6 N -4.27 -0.35 -0.96 2.44 0.01 -1.26 -5.09 113.70 104.23 2cu8 s SER 6 Ca 0.43 -0.12 -0.01 0.00 1.31 0.00 0.00 55.95 57.56 2cu8 s SER 6 Cb -0.03 0.46 0.29 0.00 0.21 0.00 0.00 66.02 66.95 2cu8 s SER 6 CO 0.26 -0.77 1.29 0.61 0.41 0.00 0.00 173.24 175.04 2cu8 n GLY 7 N -0.33 5.10 0.14 3.44 0.00 -1.26 -4.73 105.19 107.55 2cu8 n GLY 7 Ca -0.09 -2.70 -0.24 0.00 0.00 0.00 0.00 46.02 42.99 2cu8 n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2cu8 n MET 8 N 1.16 0.57 -0.85 1.61 0.00 -1.26 -5.01 117.12 113.34 2cu8 n MET 8 Ca 0.27 0.24 -0.30 0.00 -0.00 0.00 0.00 57.70 57.91 2cu8 n MET 8 Cb 0.35 -1.46 0.26 0.00 0.00 0.00 0.00 33.22 32.37 2cu8 n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2cu8 s ALA 9 N -2.61 0.16 0.10 -5.12 0.00 -1.26 -4.91 121.76 108.11 2cu8 s ALA 9 Ca -0.36 -0.97 -0.31 0.00 0.00 0.00 0.00 51.96 50.33 2cu8 s ALA 9 Cb 0.12 -2.88 -0.09 0.00 0.00 0.00 0.00 23.12 20.27 2cu8 s ALA 9 CO 0.47 -3.98 1.63 -1.54 0.00 0.00 0.00 175.76 172.33 2cu8 s SER 10 N -3.71 6.60 0.91 0.00 1.04 -1.25 -4.74 113.70 112.55 2cu8 s SER 10 Ca 0.71 2.53 -0.15 0.00 0.48 0.00 0.00 55.95 59.52 2cu8 s SER 10 Cb -0.10 -2.57 0.16 0.00 0.10 0.00 0.00 66.02 63.61 2cu8 s SER 10 CO 0.56 -0.87 1.27 -0.54 0.98 0.00 0.00 173.24 174.65 2cu8 s LYS 11 N 2.18 1.04 -0.15 4.02 1.02 -1.26 0.23 119.74 126.82 2cu8 s LYS 11 Ca 0.73 -0.28 0.01 0.00 0.02 0.00 0.00 55.97 56.45 2cu8 s LYS 11 Cb -0.41 -1.89 0.00 0.00 -0.52 0.00 0.00 37.83 35.01 2cu8 s LYS 11 CO 0.32 -2.16 -0.17 0.00 -0.92 0.00 0.00 175.35 172.42 2cu8 n PRO 13 N 4.11 0.49 -0.09 0.00 -0.04 -1.26 0.18 135.00 138.39 2cu8 n PRO 13 Ca -0.19 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.07 2cu8 n PRO 13 Cb 0.52 -1.24 -0.07 0.00 -0.04 0.00 0.00 33.50 32.67 2cu8 n PRO 13 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2cu8 n LYS 14 N -0.74 0.39 -0.15 0.54 3.00 -1.26 -4.72 118.16 115.22 2cu8 n LYS 14 Ca 0.06 0.17 0.08 0.00 -0.00 0.00 0.00 58.31 58.61 2cu8 n LYS 14 Cb 0.03 -1.15 0.11 0.00 0.00 0.00 0.00 35.03 34.02 2cu8 n LYS 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2cu8 n ASP 16 N -1.11 -0.22 -4.52 0.00 2.03 0.47 -4.87 116.55 108.32 2cu8 n ASP 16 Ca 0.12 -0.97 -0.28 0.00 0.52 0.00 0.00 54.79 54.17 2cu8 n ASP 16 Cb 0.63 -1.20 -0.10 0.00 -0.72 0.00 0.00 41.12 39.73 2cu8 n ASP 16 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2cu8 s LYS 17 N -6.46 1.90 -0.93 -0.67 1.02 -1.25 -4.71 119.74 108.65 2cu8 s LYS 17 Ca 0.09 -1.21 -0.24 0.00 0.02 0.00 0.00 55.97 54.63 2cu8 s LYS 17 Cb -0.05 -2.14 -0.04 0.00 -0.52 0.00 0.00 37.83 35.09 2cu8 s LYS 17 CO 0.75 0.46 1.88 0.99 -0.92 0.00 0.00 175.35 178.52 2cu8 s THR 18 N -1.37 3.52 0.20 2.17 2.01 -1.26 -1.01 115.64 119.89 2cu8 s THR 18 Ca 0.21 -0.45 -0.31 0.00 0.31 0.00 0.00 61.69 61.45 2cu8 s THR 18 Cb -0.10 -4.17 -0.10 0.00 0.01 0.00 0.00 72.50 68.14 2cu8 s THR 18 CO 0.12 -1.08 1.49 -0.69 -0.69 0.00 0.00 174.62 173.77 2cu8 s VAL 19 N 9.43 2.69 0.22 3.82 1.01 0.13 -4.93 120.40 132.79 2cu8 s VAL 19 Ca 0.67 0.54 0.05 0.00 0.00 0.00 0.00 61.98 63.23 2cu8 s VAL 19 Cb -0.05 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 2cu8 s VAL 19 CO -0.01 0.06 0.34 -0.31 0.00 0.00 0.00 175.10 175.18 2cu8 s TYR 20 N 0.61 3.44 0.65 5.22 2.02 -1.26 -3.88 117.35 124.14 2cu8 s TYR 20 Ca 0.65 0.00 0.34 0.00 -0.37 0.00 0.00 57.07 57.69 2cu8 s TYR 20 Cb -0.42 -1.58 1.85 0.00 -0.40 0.00 0.00 41.96 41.41 2cu8 s TYR 20 CO 0.37 0.46 2.08 0.35 -1.57 0.00 0.00 175.55 177.23 2cu8 h PHE 21 N 1.37 0.00 -0.18 2.71 3.57 -1.95 0.26 116.94 122.72 2cu8 h PHE 21 Ca -0.51 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.04 2cu8 h PHE 21 Cb 1.22 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.91 2cu8 h PHE 21 CO 0.47 0.00 -0.17 0.00 -2.23 0.00 0.00 178.31 176.38 2cu8 h ALA 22 N 1.60 -0.06 0.00 2.41 0.00 -2.01 -3.14 119.26 118.06 2cu8 h ALA 22 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2cu8 h ALA 22 Cb 0.48 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2cu8 h ALA 22 CO -0.00 -0.61 -0.04 0.39 0.00 0.00 0.00 179.25 178.99 2cu8 n GLU 23 N -5.32 1.34 -1.83 0.00 1.02 -0.83 -5.00 120.64 110.02 2cu8 n GLU 23 Ca -0.02 -2.32 -0.36 0.00 -0.02 0.00 0.00 57.16 54.44 2cu8 n GLU 23 Cb 0.24 -1.36 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 2cu8 n GLU 23 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2cu8 s LYS 24 N -2.42 2.37 -0.27 3.49 2.20 0.84 -4.36 119.74 121.59 2cu8 s LYS 24 Ca 0.26 0.91 -0.09 0.00 -0.36 0.00 0.00 55.97 56.68 2cu8 s LYS 24 Cb 0.23 -4.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.01 2cu8 s LYS 24 CO 0.02 -3.03 0.13 0.54 -0.36 0.00 0.00 175.35 172.65 2cu8 s VAL 25 N 10.58 4.75 -0.41 4.02 0.11 -1.23 -4.95 120.40 133.28 2cu8 s VAL 25 Ca 0.81 -0.07 -0.29 0.00 -2.93 0.00 0.00 61.98 59.49 2cu8 s VAL 25 Cb -0.14 -3.27 0.01 0.00 -1.53 0.00 0.00 36.38 31.45 2cu8 s VAL 25 CO 0.22 0.26 1.43 -0.94 -3.33 0.00 0.00 175.10 172.74 2cu8 s SER 26 N 1.67 6.32 -0.22 3.54 1.04 -1.26 -2.64 113.70 122.15 2cu8 s SER 26 Ca 0.06 0.86 -0.01 0.00 0.48 0.00 0.00 55.95 57.34 2cu8 s SER 26 Cb -0.16 -2.54 0.06 0.00 0.10 0.00 0.00 66.02 63.49 2cu8 s SER 26 CO 0.07 -1.44 0.01 -0.55 0.98 0.00 0.00 173.24 172.31 2cu8 s SER 27 N 4.02 3.38 -1.63 7.02 0.15 0.18 -4.44 113.70 122.38 2cu8 s SER 27 Ca 0.62 -1.04 0.00 0.00 0.70 0.00 0.00 55.95 56.23 2cu8 s SER 27 Cb -0.14 -0.85 0.00 0.00 -1.71 0.00 0.00 66.02 63.32 2cu8 s SER 27 CO 0.32 -0.29 0.00 0.18 1.20 0.00 0.00 173.24 174.66 2cu8 n LEU 28 N 4.88 -1.86 0.00 3.45 4.32 -1.26 -1.42 117.00 125.11 2cu8 n LEU 28 Ca -0.09 -0.01 0.00 0.00 -0.02 0.00 0.00 56.01 55.89 2cu8 n LEU 28 Cb 0.45 -2.72 0.00 0.00 -1.62 0.00 0.00 43.42 39.53 2cu8 n LEU 28 CO 0.15 -0.21 0.00 0.61 -1.22 0.00 0.00 177.39 176.71 2cu8 n GLY 29 N -1.01 3.16 3.89 -0.72 0.00 -1.26 -5.01 105.19 104.24 2cu8 n GLY 29 Ca -0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 2cu8 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cu8 s LYS 30 N -0.37 3.54 -0.30 1.61 1.02 -0.51 -5.05 119.74 119.67 2cu8 s LYS 30 Ca 0.00 -0.15 -0.17 0.00 0.02 0.00 0.00 55.97 55.67 2cu8 s LYS 30 Cb 0.00 -3.06 -0.02 0.00 -0.52 0.00 0.00 37.83 34.22 2cu8 s LYS 30 CO 0.00 0.64 0.45 -0.51 -0.92 0.00 0.00 175.35 175.01 2cu8 s ASP 31 N -1.85 6.31 0.17 2.83 1.01 -1.26 -0.65 116.67 123.24 2cu8 s ASP 31 Ca 0.29 0.20 0.00 0.00 0.71 0.00 0.00 52.55 53.75 2cu8 s ASP 31 Cb -0.13 -2.25 0.00 0.00 1.01 0.00 0.00 42.92 41.56 2cu8 s ASP 31 CO 0.18 -0.32 0.03 0.79 0.21 0.00 0.00 175.17 176.06 2cu8 n TRP 32 N 5.52 0.01 -4.54 4.23 7.02 -1.08 -4.15 117.44 124.44 2cu8 n TRP 32 Ca -0.06 -0.82 -0.33 0.00 -1.02 0.00 0.00 57.50 55.26 2cu8 n TRP 32 Cb 0.50 -0.12 -0.13 0.00 -2.42 0.00 0.00 31.31 29.14 2cu8 n TRP 32 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 2cu8 s HIS 33 N -1.44 2.94 0.59 -5.99 3.76 -1.26 -3.48 115.29 110.40 2cu8 s HIS 33 Ca 0.02 -0.45 0.35 0.00 -0.15 0.00 0.00 55.06 54.83 2cu8 s HIS 33 Cb -0.00 -1.91 1.27 0.00 1.11 0.00 0.00 32.58 33.05 2cu8 s HIS 33 CO 0.02 -0.12 1.49 0.87 -0.85 0.00 0.00 174.74 176.15 2cu8 h LYS 34 N 6.73 0.00 0.00 1.40 6.56 -1.96 2.11 116.57 131.41 2cu8 h LYS 34 Ca -0.29 0.00 -0.29 0.00 -1.06 0.00 0.00 60.65 59.01 2cu8 h LYS 34 Cb 1.20 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.81 2cu8 h LYS 34 CO 0.60 0.00 -1.70 1.19 -2.06 0.00 0.00 179.45 177.48 2cu8 n PHE 35 N -3.57 1.03 -0.03 -1.35 3.01 -1.26 -4.22 117.46 111.07 2cu8 n PHE 35 Ca 0.28 0.37 -0.16 0.00 1.01 0.00 0.00 57.45 58.94 2cu8 n PHE 35 Cb 1.54 -1.19 -0.09 0.00 -0.01 0.00 0.00 39.48 39.74 2cu8 n PHE 35 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2cu8 n LEU 37 N -4.25 -0.29 -3.56 0.00 7.94 0.40 -4.77 117.00 112.46 2cu8 n LEU 37 Ca -0.08 -1.13 -0.14 0.00 -1.11 0.00 0.00 56.01 53.54 2cu8 n LEU 37 Cb 0.59 -1.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.49 2cu8 n LEU 37 CO 0.46 -2.04 0.30 -0.54 -1.11 0.00 0.00 177.39 174.47 2cu8 s LYS 38 N 7.46 1.05 -0.30 1.96 1.02 -1.26 -3.31 119.74 126.36 2cu8 s LYS 38 Ca 0.97 -0.18 -0.29 0.00 0.02 0.00 0.00 55.97 56.50 2cu8 s LYS 38 Cb -0.44 0.48 0.01 0.00 -0.52 0.00 0.00 37.83 37.36 2cu8 s LYS 38 CO 0.31 -0.38 1.04 0.00 -0.92 0.00 0.00 175.35 175.41 2cu8 n GLU 40 N 6.68 0.63 -0.09 0.00 2.13 -1.25 0.60 120.64 129.34 2cu8 n GLU 40 Ca 0.11 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.78 2cu8 n GLU 40 Cb 0.47 -1.34 -0.05 0.00 0.27 0.00 0.00 31.44 30.78 2cu8 n GLU 40 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2cu8 n ARG 41 N -0.84 0.46 -0.46 5.31 0.63 -1.26 -4.68 116.66 115.82 2cu8 n ARG 41 Ca 0.10 0.19 0.09 0.00 -0.92 0.00 0.00 57.85 57.31 2cu8 n ARG 41 Cb 0.05 -1.28 0.26 0.00 0.45 0.00 0.00 32.46 31.94 2cu8 n ARG 41 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2cu8 n SER 43 N -0.44 0.61 -4.07 0.00 2.88 0.20 -4.88 113.62 107.92 2cu8 n SER 43 Ca 0.21 -0.84 -0.32 0.00 -1.33 0.00 0.00 58.87 56.60 2cu8 n SER 43 Cb 0.90 -1.05 -0.16 0.00 -0.75 0.00 0.00 64.21 63.15 2cu8 n SER 43 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2cu8 s LYS 44 N -5.88 2.67 0.63 -1.46 2.20 -1.23 -4.83 119.74 111.83 2cu8 s LYS 44 Ca 0.01 -0.70 -0.17 0.00 -0.36 0.00 0.00 55.97 54.74 2cu8 s LYS 44 Cb -0.00 -2.35 -0.15 0.00 -1.51 0.00 0.00 37.83 33.82 2cu8 s LYS 44 CO 0.66 -0.22 -0.31 -2.37 -0.36 0.00 0.00 175.35 172.74 2cu8 n THR 45 N 4.69 0.00 -4.58 3.43 5.66 -1.26 -2.34 114.28 119.88 2cu8 n THR 45 Ca -0.19 -0.49 -0.27 0.00 -3.05 0.00 0.00 64.05 60.06 2cu8 n THR 45 Cb 0.50 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.19 2cu8 n THR 45 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2cu8 s LEU 46 N 5.72 2.31 -0.25 1.09 1.43 -1.21 -4.75 118.68 123.02 2cu8 s LEU 46 Ca 0.51 -1.52 -0.11 0.00 -1.03 0.00 0.00 54.13 51.98 2cu8 s LEU 46 Cb -0.39 -0.51 -0.05 0.00 0.03 0.00 0.00 46.19 45.27 2cu8 s LEU 46 CO 0.69 -0.72 0.19 -0.89 0.23 0.00 0.00 176.35 175.86 2cu8 s THR 47 N -3.05 5.33 -0.94 5.49 2.01 -1.26 -4.92 115.64 118.30 2cu8 s THR 47 Ca 0.26 0.22 -0.24 0.00 0.31 0.00 0.00 61.69 62.24 2cu8 s THR 47 Cb 0.06 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 68.98 2cu8 s THR 47 CO 0.13 0.31 1.95 -2.16 -0.69 0.00 0.00 174.62 174.15 2cu8 s PRO 48 N 1.30 2.54 0.00 4.92 0.04 -1.26 -2.75 135.00 139.79 2cu8 s PRO 48 Ca 0.08 -0.40 0.00 0.00 0.04 0.00 0.00 61.00 60.72 2cu8 s PRO 48 Cb -0.14 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 29.31 2cu8 s PRO 48 CO 0.07 -3.47 0.00 0.41 0.04 0.00 0.00 177.00 174.05 2cu8 n GLY 49 N 6.71 1.40 0.00 0.56 0.00 -1.26 -4.80 105.19 107.80 2cu8 n GLY 49 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 2cu8 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cu8 n GLY 50 N 0.00 -1.85 2.55 -0.02 0.00 -1.11 -4.98 105.19 99.78 2cu8 n GLY 50 Ca 0.00 0.88 -0.07 0.00 0.00 0.00 0.00 46.02 46.83 2cu8 n GLY 50 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2cu8 n HIS 51 N 0.00 -1.72 -4.09 1.61 1.44 -1.26 -4.67 115.22 106.52 2cu8 n HIS 51 Ca 0.00 -1.40 -0.22 0.00 -2.01 0.00 0.00 57.72 54.08 2cu8 n HIS 51 Cb 0.00 0.57 -0.05 0.00 0.12 0.00 0.00 29.99 30.63 2cu8 n HIS 51 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2cu8 s ALA 52 N -1.95 3.51 0.01 1.59 0.00 -1.13 -5.02 121.76 118.77 2cu8 s ALA 52 Ca 0.14 -1.65 -0.04 0.00 0.00 0.00 0.00 51.96 50.41 2cu8 s ALA 52 Cb -0.03 -0.98 -0.01 0.00 0.00 0.00 0.00 23.12 22.11 2cu8 s ALA 52 CO 0.10 0.14 0.06 -1.83 0.00 0.00 0.00 175.76 174.23 2cu8 s GLU 53 N -3.84 0.39 -0.18 0.00 4.04 -1.26 -1.55 118.70 116.31 2cu8 s GLU 53 Ca 0.36 -0.49 -0.07 0.00 0.04 0.00 0.00 54.97 54.81 2cu8 s GLU 53 Cb -0.05 0.15 0.08 0.00 0.02 0.00 0.00 34.13 34.33 2cu8 s GLU 53 CO 0.23 -0.08 0.38 -1.58 -1.84 0.00 0.00 175.26 172.38 2cu8 s HIS 54 N -1.39 -0.67 -1.56 4.83 2.46 0.10 -4.88 115.29 114.19 2cu8 s HIS 54 Ca -0.15 1.34 0.00 0.00 0.47 0.00 0.00 55.06 56.72 2cu8 s HIS 54 Cb -0.09 0.23 0.00 0.00 -0.13 0.00 0.00 32.58 32.59 2cu8 s HIS 54 CO 0.00 -0.42 0.00 -3.47 -2.47 0.00 0.00 174.74 168.39 2cu8 n ASP 55 N 5.06 -4.98 0.00 9.88 2.03 -1.26 -0.25 116.55 127.03 2cu8 n ASP 55 Ca -0.12 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2cu8 n ASP 55 Cb 0.51 -4.23 0.00 0.00 -0.72 0.00 0.00 41.12 36.68 2cu8 n ASP 55 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2cu8 n GLY 56 N -0.81 2.78 3.70 0.27 0.00 -1.26 -5.02 105.19 104.85 2cu8 n GLY 56 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 2cu8 n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cu8 s LYS 57 N -0.54 4.22 0.71 1.61 -0.14 0.66 -4.72 119.74 121.55 2cu8 s LYS 57 Ca 0.00 0.14 -0.13 0.00 -1.36 0.00 0.00 55.97 54.62 2cu8 s LYS 57 Cb 0.00 -3.48 0.03 0.00 -1.68 0.00 0.00 37.83 32.70 2cu8 s LYS 57 CO 0.00 0.12 1.10 -1.25 -0.76 0.00 0.00 175.35 174.56 2cu8 s PRO 58 N 0.84 2.54 -0.28 -1.68 0.04 -1.26 0.00 135.00 135.20 2cu8 s PRO 58 Ca 0.17 1.29 -0.23 0.00 0.04 0.00 0.00 61.00 62.27 2cu8 s PRO 58 Cb -0.14 -1.92 0.09 0.00 0.04 0.00 0.00 34.50 32.57 2cu8 s PRO 58 CO 0.06 -1.44 0.80 -0.06 0.04 0.00 0.00 177.00 176.40 2cu8 s PHE 59 N -2.60 -0.75 0.93 0.56 0.08 -0.59 -3.84 117.98 111.78 2cu8 s PHE 59 Ca 0.64 1.74 -0.13 0.00 0.12 0.00 0.00 56.93 59.30 2cu8 s PHE 59 Cb -0.19 0.35 0.03 0.00 -0.57 0.00 0.00 43.02 42.64 2cu8 s PHE 59 CO 0.48 -0.36 0.41 0.00 -0.10 0.00 0.00 175.22 175.65 2cu8 h HIS 61 N -1.46 0.31 0.00 0.00 3.86 -1.94 -1.98 115.15 113.94 2cu8 h HIS 61 Ca -0.44 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 2cu8 h HIS 61 Cb 1.29 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.71 2cu8 h HIS 61 CO 0.39 0.04 0.00 0.36 0.86 0.00 0.00 177.93 179.57 2cu8 n LYS 62 N -5.06 0.00 0.14 2.45 2.85 -1.26 -3.59 118.16 113.69 2cu8 n LYS 62 Ca 0.09 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.47 2cu8 n LYS 62 Cb 0.30 0.00 0.51 0.00 -0.65 0.00 0.00 35.03 35.19 2cu8 n LYS 62 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 2cu8 h PRO 63 N 0.00 0.00 0.00 -1.58 0.13 -2.00 -3.46 132.00 125.09 2cu8 h PRO 63 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2cu8 h PRO 63 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2cu8 h PRO 63 CO 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.77 2cu8 h TYR 65 N 0.00 -0.50 -0.66 0.00 3.20 -1.45 -2.92 116.97 114.63 2cu8 h TYR 65 Ca 0.00 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.95 2cu8 h TYR 65 Cb 0.00 0.23 -0.08 0.00 1.54 0.00 0.00 36.73 38.42 2cu8 h TYR 65 CO -0.14 -0.27 -0.39 0.00 -1.64 0.00 0.00 178.16 175.72 2cu8 n ALA 66 N -2.58 -0.43 -0.13 1.82 0.00 0.24 -1.02 120.51 118.41 2cu8 n ALA 66 Ca -0.04 0.56 -0.14 0.00 0.00 0.00 0.00 53.44 53.83 2cu8 n ALA 66 Cb 0.24 0.02 -0.10 0.00 0.00 0.00 0.00 19.45 19.62 2cu8 n ALA 66 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2cu8 h THR 67 N 0.00 0.01 -0.96 0.00 2.02 -0.32 0.89 112.91 114.54 2cu8 h THR 67 Ca 0.11 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.56 2cu8 h THR 67 Cb 0.27 0.01 -0.14 0.00 -1.74 0.00 0.00 68.15 66.55 2cu8 h THR 67 CO -0.62 0.00 0.48 -0.07 0.37 0.00 0.00 175.52 175.68 2cu8 h LEU 68 N -0.41 0.42 -7.40 2.58 3.38 -0.95 -3.08 115.31 109.84 2cu8 h LEU 68 Ca 0.07 0.18 -0.68 0.00 0.09 0.00 0.00 57.88 57.54 2cu8 h LEU 68 Cb 0.60 0.14 -0.37 0.00 0.09 0.00 0.00 40.66 41.12 2cu8 h LEU 68 CO -0.58 -0.08 -0.38 -0.36 0.09 0.00 0.00 178.44 177.13 2cu8 s PHE 69 N -5.77 3.50 -1.25 1.13 0.40 0.29 -4.98 117.98 111.30 2cu8 s PHE 69 Ca -0.11 -2.97 -0.06 0.00 -0.60 0.00 0.00 56.93 53.20 2cu8 s PHE 69 Cb 0.28 -3.07 0.18 0.00 0.51 0.00 0.00 43.02 40.92 2cu8 s PHE 69 CO 0.79 -0.75 2.09 0.41 0.70 0.00 0.00 175.22 178.45 2cu8 n GLY 70 N 2.91 5.21 3.03 4.36 0.00 -1.14 -4.69 105.19 114.87 2cu8 n GLY 70 Ca 0.12 -2.19 -0.10 0.00 0.00 0.00 0.00 46.02 43.85 2cu8 n GLY 70 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cu8 s SER 71 N 0.07 0.20 0.00 1.61 0.15 -1.26 -5.14 113.70 109.33 2cu8 s SER 71 Ca 0.46 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.61 2cu8 s SER 71 Cb 0.15 1.05 0.00 0.00 -1.71 0.00 0.00 66.02 65.51 2cu8 s SER 71 CO -0.05 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.73 2cu8 n GLY 72 N 5.37 3.29 3.55 9.45 0.00 -1.26 -5.06 105.19 120.53 2cu8 n GLY 72 Ca -0.06 -1.34 -0.36 0.00 0.00 0.00 0.00 46.02 44.26 2cu8 n GLY 72 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cu8 s PRO 73 N -2.28 2.61 0.17 1.61 0.04 -1.26 -4.64 135.00 131.24 2cu8 s PRO 73 Ca 0.00 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.50 2cu8 s PRO 73 Cb 0.00 -4.51 0.00 0.00 0.04 0.00 0.00 34.50 30.03 2cu8 s PRO 73 CO 0.00 -2.85 0.00 0.45 0.04 0.00 0.00 177.00 174.64 2cu8 n SER 74 N 12.98 0.64 -4.77 6.66 2.88 -1.26 -5.07 113.62 125.69 2cu8 n SER 74 Ca 0.24 0.26 -0.40 0.00 -1.33 0.00 0.00 58.87 57.64 2cu8 n SER 74 Cb 0.51 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 2cu8 n SER 74 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cu8 s SER 75 N -5.62 6.21 0.00 -3.46 1.04 -1.26 -5.30 113.70 105.30 2cu8 s SER 75 Ca 0.00 2.79 0.00 0.00 0.48 0.00 0.00 55.95 59.22 2cu8 s SER 75 Cb 0.00 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.47 2cu8 s SER 75 CO 0.00 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.89