#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 6.33 0.65 1.61 0.01 -1.26 -5.04 113.70 116.00 2cu8 s SER 2 Ca 0.00 -1.77 -0.15 0.00 1.31 0.00 0.00 55.95 55.34 2cu8 s SER 2 Cb 0.00 -2.28 -0.13 0.00 0.21 0.00 0.00 66.02 63.82 2cu8 s SER 2 CO 0.00 -0.98 -0.40 -1.54 0.41 0.00 0.00 173.24 170.73 2cu8 n SER 3 N 5.78 -4.18 0.00 2.44 3.41 -1.26 -4.86 113.62 114.95 2cu8 n SER 3 Ca -0.03 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 2cu8 n SER 3 Cb 0.43 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 2cu8 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cu8 n GLY 4 N 2.58 1.60 3.17 5.00 0.00 -1.26 -5.15 105.19 111.12 2cu8 n GLY 4 Ca 0.03 -0.55 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 2cu8 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cu8 s SER 5 N 0.00 2.36 -0.03 1.61 1.04 -1.26 -5.13 113.70 112.28 2cu8 s SER 5 Ca 0.00 -0.39 -0.12 0.00 0.48 0.00 0.00 55.95 55.92 2cu8 s SER 5 Cb 0.00 -0.63 -0.05 0.00 0.10 0.00 0.00 66.02 65.44 2cu8 s SER 5 CO 0.00 0.18 0.33 -0.44 0.98 0.00 0.00 173.24 174.29 2cu8 s SER 6 N -0.03 6.68 0.00 7.02 0.01 -1.26 -4.84 113.70 121.28 2cu8 s SER 6 Ca -0.03 0.81 0.00 0.00 1.31 0.00 0.00 55.95 58.04 2cu8 s SER 6 Cb -0.12 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 63.92 2cu8 s SER 6 CO 0.02 0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.62 2cu8 n GLY 7 N 1.79 0.64 3.99 3.44 0.00 -1.26 -5.16 105.19 108.62 2cu8 n GLY 7 Ca -0.15 -0.67 -0.19 0.00 0.00 0.00 0.00 46.02 45.01 2cu8 n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2cu8 s MET 8 N 0.00 2.55 0.18 1.61 0.00 -1.26 -5.14 119.30 117.24 2cu8 s MET 8 Ca 0.00 -1.50 -0.24 0.00 0.00 0.00 0.00 55.69 53.95 2cu8 s MET 8 Cb 0.00 -2.60 0.06 0.00 0.00 0.00 0.00 34.83 32.29 2cu8 s MET 8 CO 0.00 -0.50 0.93 0.00 0.00 0.00 0.00 175.02 175.45 2cu8 s ALA 9 N -2.52 -1.57 0.75 3.16 0.00 -1.26 -5.04 121.76 115.28 2cu8 s ALA 9 Ca 0.54 0.01 -0.15 0.00 0.00 0.00 0.00 51.96 52.37 2cu8 s ALA 9 Cb -0.07 0.68 0.05 0.00 0.00 0.00 0.00 23.12 23.78 2cu8 s ALA 9 CO 0.33 -1.05 1.21 -1.12 0.00 0.00 0.00 175.76 175.14 2cu8 s SER 10 N -2.97 4.02 0.74 0.00 0.01 -1.26 -4.67 113.70 109.56 2cu8 s SER 10 Ca 0.13 2.38 -0.06 0.00 1.31 0.00 0.00 55.95 59.71 2cu8 s SER 10 Cb -0.02 -2.59 0.11 0.00 0.21 0.00 0.00 66.02 63.72 2cu8 s SER 10 CO 0.03 -2.38 1.04 -0.54 0.41 0.00 0.00 173.24 171.80 2cu8 s LYS 11 N -3.95 1.77 -0.20 12.44 1.02 -1.26 -1.32 119.74 128.24 2cu8 s LYS 11 Ca 0.75 -0.60 -0.05 0.00 0.02 0.00 0.00 55.97 56.09 2cu8 s LYS 11 Cb -0.30 -2.19 -0.02 0.00 -0.52 0.00 0.00 37.83 34.80 2cu8 s LYS 11 CO 0.47 -1.48 -0.00 0.00 -0.92 0.00 0.00 175.35 173.42 2cu8 n PRO 13 N 4.17 0.49 -0.06 0.00 -0.04 -1.26 0.12 135.00 138.42 2cu8 n PRO 13 Ca -0.17 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.16 2cu8 n PRO 13 Cb 0.52 -1.19 -0.04 0.00 -0.04 0.00 0.00 33.50 32.75 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 -0.69 0.34 -0.14 0.54 3.00 -1.26 -4.75 118.16 115.20 2cu8 n LYS 14 Ca 0.04 0.15 0.10 0.00 -0.00 0.00 0.00 58.31 58.60 2cu8 n LYS 14 Cb 0.02 -1.09 0.16 0.00 0.00 0.00 0.00 35.03 34.12 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 -1.25 -0.92 -4.44 0.00 -0.08 0.33 -4.88 116.55 105.31 2cu8 n ASP 16 Ca 0.17 -1.05 -0.23 0.00 -1.51 0.00 0.00 54.79 52.17 2cu8 n ASP 16 Cb 0.68 -1.28 -0.10 0.00 2.34 0.00 0.00 41.12 42.75 2cu8 n ASP 16 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2cu8 s LYS 17 N -6.76 1.60 -0.81 -0.67 1.02 -1.24 -4.72 119.74 108.16 2cu8 s LYS 17 Ca 0.17 -1.74 -0.25 0.00 0.02 0.00 0.00 55.97 54.16 2cu8 s LYS 17 Cb -0.09 -1.56 0.00 0.00 -0.52 0.00 0.00 37.83 35.66 2cu8 s LYS 17 CO 0.80 0.25 1.65 0.99 -0.92 0.00 0.00 175.35 178.12 2cu8 s THR 18 N -2.67 3.60 0.29 2.17 2.01 -1.26 0.16 115.64 119.93 2cu8 s THR 18 Ca 0.28 -0.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.87 2cu8 s THR 18 Cb -0.02 -4.46 -0.12 0.00 0.01 0.00 0.00 72.50 67.91 2cu8 s THR 18 CO 0.13 -1.39 1.53 0.52 -0.69 0.00 0.00 174.62 174.72 2cu8 n VAL 19 N 7.10 1.12 -3.40 3.82 0.31 -0.44 -4.96 118.33 121.88 2cu8 n VAL 19 Ca 0.24 -0.28 -0.39 0.00 -0.01 0.00 0.00 64.34 63.90 2cu8 n VAL 19 Cb 0.50 -1.82 -0.09 0.00 -0.91 0.00 0.00 33.84 31.51 2cu8 n VAL 19 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 2cu8 s TYR 20 N -0.15 3.23 0.57 3.52 1.51 -1.26 -4.51 117.35 120.27 2cu8 s TYR 20 Ca 0.64 0.29 0.40 0.00 -1.01 0.00 0.00 57.07 57.39 2cu8 s TYR 20 Cb -0.54 -2.60 1.48 0.00 -0.11 0.00 0.00 41.96 40.19 2cu8 s TYR 20 CO 0.50 -0.28 1.57 0.35 -1.11 0.00 0.00 175.55 176.58 2cu8 h PHE 21 N 8.26 0.00 -0.04 2.71 3.57 -1.93 0.50 116.94 130.01 2cu8 h PHE 21 Ca -0.31 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.21 2cu8 h PHE 21 Cb 1.16 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 2cu8 h PHE 21 CO 0.74 0.00 -0.08 0.00 -2.23 0.00 0.00 178.31 176.75 2cu8 h ALA 22 N 0.99 -0.05 -0.30 2.41 0.00 -2.02 -2.98 119.26 117.31 2cu8 h ALA 22 Ca 0.70 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.63 2cu8 h ALA 22 Cb 3.10 0.14 0.00 0.00 0.00 0.00 0.00 17.79 21.04 2cu8 h ALA 22 CO -0.01 -0.56 0.00 0.39 0.00 0.00 0.00 179.25 179.08 2cu8 n GLU 23 N -5.20 2.99 -2.08 0.00 4.71 0.13 -5.02 120.64 116.16 2cu8 n GLU 23 Ca -0.05 -2.61 -0.39 0.00 -0.01 0.00 0.00 57.16 54.10 2cu8 n GLU 23 Cb 0.13 -1.68 -0.00 0.00 -1.01 0.00 0.00 31.44 28.87 2cu8 n GLU 23 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 2cu8 s LYS 24 N -2.24 3.83 -0.05 3.49 2.20 0.12 -4.21 119.74 122.88 2cu8 s LYS 24 Ca 0.37 2.06 -0.01 0.00 -0.36 0.00 0.00 55.97 58.03 2cu8 s LYS 24 Cb 0.28 -2.62 0.03 0.00 -1.51 0.00 0.00 37.83 34.00 2cu8 s LYS 24 CO 0.12 -0.57 0.01 0.54 -0.36 0.00 0.00 175.35 175.08 2cu8 s VAL 25 N -1.33 0.21 0.41 4.02 0.11 -1.16 -4.98 120.40 117.67 2cu8 s VAL 25 Ca 0.60 0.18 -0.23 0.00 -2.93 0.00 0.00 61.98 59.60 2cu8 s VAL 25 Cb -0.36 -0.37 -0.10 0.00 -1.53 0.00 0.00 36.38 34.02 2cu8 s VAL 25 CO 0.45 0.21 1.00 -0.94 -3.33 0.00 0.00 175.10 172.49 2cu8 s SER 26 N 1.73 6.87 -0.30 3.54 1.04 -1.26 -2.47 113.70 122.85 2cu8 s SER 26 Ca 0.00 1.88 -0.14 0.00 0.48 0.00 0.00 55.95 58.17 2cu8 s SER 26 Cb -0.13 -2.57 0.18 0.00 0.10 0.00 0.00 66.02 63.60 2cu8 s SER 26 CO -0.03 -0.41 1.05 -0.55 0.98 0.00 0.00 173.24 174.28 2cu8 s SER 27 N -1.82 -0.46 -1.60 7.02 0.15 -1.15 -4.38 113.70 111.47 2cu8 s SER 27 Ca 0.59 0.41 -0.02 0.00 0.70 0.00 0.00 55.95 57.63 2cu8 s SER 27 Cb -0.17 1.44 0.00 0.00 -1.71 0.00 0.00 66.02 65.58 2cu8 s SER 27 CO 0.21 -0.09 0.30 0.18 1.20 0.00 0.00 173.24 175.04 2cu8 n LEU 28 N 5.22 -2.28 -2.32 3.45 4.32 -1.26 -2.27 117.00 121.86 2cu8 n LEU 28 Ca -0.07 -0.15 -0.13 0.00 -0.02 0.00 0.00 56.01 55.64 2cu8 n LEU 28 Cb 0.54 -2.85 0.05 0.00 -1.62 0.00 0.00 43.42 39.53 2cu8 n LEU 28 CO -0.08 0.01 0.13 0.61 -1.22 0.00 0.00 177.39 176.84 2cu8 n GLY 29 N -1.26 0.06 3.33 -0.72 0.00 -1.26 -5.03 105.19 100.32 2cu8 n GLY 29 Ca -0.17 -0.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.55 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 -5.61 1.68 -0.24 1.61 1.02 -0.96 -5.15 119.74 112.09 2cu8 s LYS 30 Ca 0.29 -1.84 0.02 0.00 0.02 0.00 0.00 55.97 54.45 2cu8 s LYS 30 Cb -0.13 0.35 0.06 0.00 -0.52 0.00 0.00 37.83 37.59 2cu8 s LYS 30 CO 0.42 -0.64 -0.08 -0.51 -0.92 0.00 0.00 175.35 173.63 2cu8 s ASP 31 N -3.28 4.04 0.46 2.83 1.01 -1.26 -2.92 116.67 117.56 2cu8 s ASP 31 Ca 0.37 -1.24 0.01 0.00 0.71 0.00 0.00 52.55 52.40 2cu8 s ASP 31 Cb 0.02 -1.31 0.01 0.00 1.01 0.00 0.00 42.92 42.65 2cu8 s ASP 31 CO 0.22 -0.21 0.12 0.79 0.21 0.00 0.00 175.17 176.30 2cu8 n TRP 32 N 4.59 0.46 -2.96 4.23 7.02 -1.03 -4.24 117.44 125.50 2cu8 n TRP 32 Ca -0.13 -2.17 -0.16 0.00 -1.02 0.00 0.00 57.50 54.02 2cu8 n TRP 32 Cb 0.43 -0.33 0.06 0.00 -2.42 0.00 0.00 31.31 29.05 2cu8 n TRP 32 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 2cu8 n HIS 33 N -1.30 -2.51 0.06 -5.99 8.25 -1.26 -3.00 115.22 109.47 2cu8 n HIS 33 Ca -0.13 -1.69 0.03 0.00 -0.26 0.00 0.00 57.72 55.68 2cu8 n HIS 33 Cb 0.56 -0.47 -0.05 0.00 1.12 0.00 0.00 29.99 31.15 2cu8 n HIS 33 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2cu8 h LYS 34 N 0.00 0.00 -0.24 -0.41 1.79 -1.97 -3.34 116.57 112.40 2cu8 h LYS 34 Ca -0.23 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.18 2cu8 h LYS 34 Cb 1.02 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.63 2cu8 h LYS 34 CO 0.31 0.22 -0.05 1.19 -1.08 0.00 0.00 179.45 180.04 2cu8 n PHE 35 N -2.85 0.81 -0.03 -1.35 3.72 -1.26 -4.60 117.46 111.89 2cu8 n PHE 35 Ca -0.06 -1.17 -0.06 0.00 -0.05 0.00 0.00 57.45 56.11 2cu8 n PHE 35 Cb 0.75 -0.35 -0.03 0.00 -0.94 0.00 0.00 39.48 38.91 2cu8 n PHE 35 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2cu8 n LEU 37 N -3.02 -0.15 -3.74 0.00 7.94 -1.25 -4.79 117.00 111.99 2cu8 n LEU 37 Ca -0.12 -1.29 -0.14 0.00 -1.11 0.00 0.00 56.01 53.36 2cu8 n LEU 37 Cb 0.60 -1.07 -0.08 0.00 0.53 0.00 0.00 43.42 43.40 2cu8 n LEU 37 CO 0.03 -2.18 0.05 -0.54 -1.11 0.00 0.00 177.39 173.65 2cu8 s LYS 38 N 7.47 0.71 -0.24 1.96 1.02 -1.26 -3.39 119.74 126.00 2cu8 s LYS 38 Ca 0.89 -0.18 -0.29 0.00 0.02 0.00 0.00 55.97 56.41 2cu8 s LYS 38 Cb -0.36 0.32 -0.00 0.00 -0.52 0.00 0.00 37.83 37.26 2cu8 s LYS 38 CO 0.26 -0.20 1.27 0.00 -0.92 0.00 0.00 175.35 175.76 2cu8 n GLU 40 N 6.98 0.65 -0.12 0.00 4.07 -1.24 0.86 120.64 131.84 2cu8 n GLU 40 Ca 0.14 0.00 -0.24 0.00 -0.06 0.00 0.00 57.16 57.00 2cu8 n GLU 40 Cb 0.46 -1.42 -0.08 0.00 -0.06 0.00 0.00 31.44 30.33 2cu8 n GLU 40 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 2cu8 n ARG 41 N -0.92 0.49 -0.34 5.31 0.63 -1.26 -4.66 116.66 115.91 2cu8 n ARG 41 Ca 0.13 0.21 0.08 0.00 -0.92 0.00 0.00 57.85 57.35 2cu8 n ARG 41 Cb 0.06 -1.33 0.20 0.00 0.45 0.00 0.00 32.46 31.85 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 -0.98 -1.26 -4.33 0.00 7.64 0.25 -4.86 113.62 110.08 2cu8 n SER 43 Ca 0.20 -0.84 -0.33 0.00 1.01 0.00 0.00 58.87 58.91 2cu8 n SER 43 Cb 0.80 -1.11 -0.14 0.00 -1.01 0.00 0.00 64.21 62.75 2cu8 n SER 43 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2cu8 s LYS 44 N -5.31 3.35 1.00 1.43 2.20 -1.22 -4.78 119.74 116.40 2cu8 s LYS 44 Ca 0.57 -0.68 -0.16 0.00 -0.36 0.00 0.00 55.97 55.34 2cu8 s LYS 44 Cb -0.33 -2.73 -0.03 0.00 -1.51 0.00 0.00 37.83 33.23 2cu8 s LYS 44 CO 0.70 0.06 -0.20 -2.37 -0.36 0.00 0.00 175.35 173.18 2cu8 n THR 45 N 3.96 0.00 -4.29 3.43 5.66 -1.26 -1.26 114.28 120.52 2cu8 n THR 45 Ca -0.18 -0.28 -0.17 0.00 -3.05 0.00 0.00 64.05 60.36 2cu8 n THR 45 Cb 0.52 -0.38 -0.09 0.00 -1.55 0.00 0.00 70.33 68.83 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 2.43 1.57 -0.21 1.09 1.43 -1.22 -4.69 118.68 119.09 2cu8 s LEU 46 Ca 0.50 -1.57 -0.10 0.00 -1.03 0.00 0.00 54.13 51.93 2cu8 s LEU 46 Cb -0.16 0.33 -0.05 0.00 0.03 0.00 0.00 46.19 46.34 2cu8 s LEU 46 CO 0.72 -0.92 0.13 -0.89 0.23 0.00 0.00 176.35 175.62 2cu8 s THR 47 N -3.70 5.36 -0.91 5.49 2.01 -1.26 -4.94 115.64 117.70 2cu8 s THR 47 Ca 0.38 0.17 -0.25 0.00 0.31 0.00 0.00 61.69 62.30 2cu8 s THR 47 Cb 0.05 -3.45 -0.05 0.00 0.01 0.00 0.00 72.50 69.06 2cu8 s THR 47 CO 0.19 0.42 1.95 -2.16 -0.69 0.00 0.00 174.62 174.33 2cu8 s PRO 48 N 0.48 2.56 0.00 4.92 0.04 -1.26 -3.14 135.00 138.60 2cu8 s PRO 48 Ca 0.08 -0.30 0.00 0.00 0.04 0.00 0.00 61.00 60.82 2cu8 s PRO 48 Cb -0.12 -5.07 0.00 0.00 0.04 0.00 0.00 34.50 29.36 2cu8 s PRO 48 CO -0.01 -3.38 0.00 0.41 0.04 0.00 0.00 177.00 174.06 2cu8 n GLY 49 N 6.85 0.97 0.00 0.56 0.00 -1.26 -4.71 105.19 107.59 2cu8 n GLY 49 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.92 3.79 -0.02 0.00 -1.19 -4.99 105.19 101.87 2cu8 n GLY 50 Ca 0.00 0.40 -0.09 0.00 0.00 0.00 0.00 46.02 46.33 2cu8 n GLY 50 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2cu8 s HIS 51 N 0.00 0.08 0.30 1.61 -3.43 -1.26 -4.74 115.29 107.85 2cu8 s HIS 51 Ca 0.00 -0.65 0.05 0.00 -0.80 0.00 0.00 55.06 53.66 2cu8 s HIS 51 Cb 0.00 0.71 -0.02 0.00 -1.43 0.00 0.00 32.58 31.84 2cu8 s HIS 51 CO 0.00 -1.41 0.44 0.00 -2.00 0.00 0.00 174.74 171.78 2cu8 s ALA 52 N -2.98 4.02 0.03 -1.38 0.00 -0.95 -4.99 121.76 115.51 2cu8 s ALA 52 Ca 0.15 -1.28 0.02 0.00 0.00 0.00 0.00 51.96 50.85 2cu8 s ALA 52 Cb -0.05 -1.77 -0.02 0.00 0.00 0.00 0.00 23.12 21.28 2cu8 s ALA 52 CO 0.10 0.06 -0.07 -1.83 0.00 0.00 0.00 175.76 174.03 2cu8 s GLU 53 N -4.13 0.49 -0.17 0.00 4.04 -1.26 -1.04 118.70 116.63 2cu8 s GLU 53 Ca 0.40 -0.66 -0.07 0.00 0.04 0.00 0.00 54.97 54.69 2cu8 s GLU 53 Cb -0.09 -0.27 0.07 0.00 0.02 0.00 0.00 34.13 33.86 2cu8 s GLU 53 CO 0.31 0.05 0.36 -1.58 -1.84 0.00 0.00 175.26 172.56 2cu8 s HIS 54 N -1.19 -0.62 -1.80 4.83 2.46 0.75 -4.88 115.29 114.84 2cu8 s HIS 54 Ca -0.09 1.28 0.00 0.00 0.47 0.00 0.00 55.06 56.72 2cu8 s HIS 54 Cb -0.09 0.18 0.00 0.00 -0.13 0.00 0.00 32.58 32.55 2cu8 s HIS 54 CO 0.00 -0.40 0.00 -0.25 -2.47 0.00 0.00 174.74 171.62 2cu8 n ASP 55 N 5.09 -5.88 0.00 9.88 9.92 -1.26 -1.10 116.55 133.20 2cu8 n ASP 55 Ca -0.12 0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.15 2cu8 n ASP 55 Cb 0.51 -4.91 0.00 0.00 -0.64 0.00 0.00 41.12 36.08 2cu8 n ASP 55 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2cu8 n GLY 56 N -0.98 3.11 3.77 0.44 0.00 -1.26 -5.01 105.19 105.26 2cu8 n GLY 56 Ca -0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.32 4.20 0.69 1.61 1.02 -0.26 -4.90 119.74 121.79 2cu8 s LYS 57 Ca 0.00 0.51 -0.14 0.00 0.02 0.00 0.00 55.97 56.37 2cu8 s LYS 57 Cb 0.00 -3.34 0.02 0.00 -0.52 0.00 0.00 37.83 33.99 2cu8 s LYS 57 CO 0.00 0.40 1.11 -1.25 -0.92 0.00 0.00 175.35 174.68 2cu8 s PRO 58 N -0.18 2.63 -0.23 -1.68 0.04 -1.26 -0.18 135.00 134.14 2cu8 s PRO 58 Ca 0.26 1.33 -0.26 0.00 0.04 0.00 0.00 61.00 62.37 2cu8 s PRO 58 Cb -0.17 -1.93 0.09 0.00 0.04 0.00 0.00 34.50 32.53 2cu8 s PRO 58 CO 0.13 -1.37 0.83 -0.06 0.04 0.00 0.00 177.00 176.57 2cu8 s PHE 59 N -2.51 -0.64 1.07 0.56 0.08 -0.20 -3.62 117.98 112.73 2cu8 s PHE 59 Ca 0.65 1.47 -0.17 0.00 0.12 0.00 0.00 56.93 59.01 2cu8 s PHE 59 Cb -0.20 0.33 0.10 0.00 -0.57 0.00 0.00 43.02 42.69 2cu8 s PHE 59 CO 0.46 -0.36 0.19 0.00 -0.10 0.00 0.00 175.22 175.40 2cu8 h HIS 61 N -1.96 0.78 0.00 0.00 3.86 -1.93 -2.10 115.15 113.80 2cu8 h HIS 61 Ca -0.51 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 2cu8 h HIS 61 Cb 1.34 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 29.54 2cu8 h HIS 61 CO 0.23 0.47 0.00 0.36 0.86 0.00 0.00 177.93 179.85 2cu8 n LYS 62 N -4.67 0.00 0.15 2.45 2.85 -1.26 -2.95 118.16 114.73 2cu8 n LYS 62 Ca 0.06 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.44 2cu8 n LYS 62 Cb 0.05 0.00 0.52 0.00 -0.65 0.00 0.00 35.03 34.95 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 -1.99 -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 -0.78 -0.33 0.00 3.20 -1.47 -3.16 116.97 114.43 2cu8 h TYR 65 Ca 0.00 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.88 2cu8 h TYR 65 Cb 0.00 0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 2cu8 h TYR 65 CO -0.15 -0.46 -0.19 0.00 -1.64 0.00 0.00 178.16 175.71 2cu8 n ALA 66 N -2.49 -0.21 -0.40 1.82 0.00 -0.63 -0.83 120.51 117.77 2cu8 n ALA 66 Ca -0.13 0.28 -0.11 0.00 0.00 0.00 0.00 53.44 53.48 2cu8 n ALA 66 Cb 0.35 0.20 -0.10 0.00 0.00 0.00 0.00 19.45 19.90 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 0.00 -1.06 0.00 2.02 0.19 0.81 112.91 114.87 2cu8 h THR 67 Ca 0.05 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.52 2cu8 h THR 67 Cb 0.14 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.43 2cu8 h THR 67 CO -0.31 0.00 0.66 -0.07 0.37 0.00 0.00 175.52 176.17 2cu8 h LEU 68 N -0.02 0.50 -7.46 2.58 3.38 -0.95 -3.21 115.31 110.13 2cu8 h LEU 68 Ca 0.15 0.11 -0.65 0.00 0.09 0.00 0.00 57.88 57.59 2cu8 h LEU 68 Cb 0.42 0.04 -0.41 0.00 0.09 0.00 0.00 40.66 40.80 2cu8 h LEU 68 CO -0.92 0.04 -0.64 -0.36 0.09 0.00 0.00 178.44 176.65 2cu8 s PHE 69 N -5.57 3.33 0.00 1.13 0.40 0.28 -4.79 117.98 112.76 2cu8 s PHE 69 Ca -0.09 -3.12 0.00 0.00 -0.60 0.00 0.00 56.93 53.12 2cu8 s PHE 69 Cb 0.27 -2.86 0.00 0.00 0.51 0.00 0.00 43.02 40.94 2cu8 s PHE 69 CO 0.80 -0.79 0.00 0.41 0.70 0.00 0.00 175.22 176.34 2cu8 n GLY 70 N 3.39 0.00 2.95 4.36 0.00 -1.15 -4.64 105.19 110.10 2cu8 n GLY 70 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 2cu8 n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cu8 s SER 71 N 0.00 0.02 0.25 1.61 0.01 -1.26 -4.98 113.70 109.34 2cu8 s SER 71 Ca 0.00 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.31 2cu8 s SER 71 Cb 0.00 1.28 0.00 0.00 0.21 0.00 0.00 66.02 67.51 2cu8 s SER 71 CO 0.00 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 173.94 2cu8 n GLY 72 N 5.37 -3.78 0.27 3.44 0.00 -1.26 -4.68 105.19 104.55 2cu8 n GLY 72 Ca -0.01 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 2cu8 n GLY 72 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cu8 h PRO 73 N 0.79 0.94 -3.46 1.61 0.13 -2.06 -3.38 132.00 126.58 2cu8 h PRO 73 Ca 0.00 -0.49 -0.68 0.00 -0.87 0.00 0.00 66.00 63.95 2cu8 h PRO 73 Cb 0.00 0.02 -0.37 0.00 0.13 0.00 0.00 31.00 30.78 2cu8 h PRO 73 CO 0.00 1.15 -0.39 -1.12 -0.23 0.00 0.00 178.00 177.41 2cu8 s SER 74 N -6.83 5.13 -1.12 1.44 0.01 -1.26 -5.02 113.70 106.06 2cu8 s SER 74 Ca -0.11 -3.09 -0.24 0.00 1.31 0.00 0.00 55.95 53.82 2cu8 s SER 74 Cb 0.11 -1.81 -0.12 0.00 0.21 0.00 0.00 66.02 64.42 2cu8 s SER 74 CO 0.88 -0.29 2.00 -0.55 0.41 0.00 0.00 173.24 175.69 2cu8 s SER 75 N 0.21 4.61 0.00 2.44 0.15 -1.26 -5.20 113.70 114.64 2cu8 s SER 75 Ca 0.19 -1.34 0.00 0.00 0.70 0.00 0.00 55.95 55.50 2cu8 s SER 75 Cb -0.18 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 2cu8 s SER 75 CO -0.05 -3.49 0.00 0.61 1.20 0.00 0.00 173.24 171.51