#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 -0.73 0.08 1.61 1.04 -1.26 -5.18 113.70 109.27 2cu8 s SER 2 Ca 0.00 1.36 0.05 0.00 0.48 0.00 0.00 55.95 57.84 2cu8 s SER 2 Cb 0.00 1.36 -0.03 0.00 0.10 0.00 0.00 66.02 67.45 2cu8 s SER 2 CO 0.00 -0.29 -0.12 -0.55 0.98 0.00 0.00 173.24 173.26 2cu8 s SER 3 N 0.21 1.59 0.00 7.02 0.15 -1.26 -5.12 113.70 116.29 2cu8 s SER 3 Ca -0.01 -0.70 0.00 0.00 0.70 0.00 0.00 55.95 55.94 2cu8 s SER 3 Cb -0.04 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.24 2cu8 s SER 3 CO 0.02 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.92 2cu8 n GLY 4 N 0.97 4.32 3.55 9.45 0.00 -1.26 -5.16 105.19 117.06 2cu8 n GLY 4 Ca -0.19 -1.06 -0.26 0.00 0.00 0.00 0.00 46.02 44.52 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 0.00 3.44 0.07 1.61 0.01 -1.26 -5.06 113.70 112.51 2cu8 s SER 5 Ca 0.00 -1.31 -0.23 0.00 1.31 0.00 0.00 55.95 55.72 2cu8 s SER 5 Cb 0.00 -0.30 -0.15 0.00 0.21 0.00 0.00 66.02 65.77 2cu8 s SER 5 CO 0.00 -0.41 1.62 0.77 0.41 0.00 0.00 173.24 175.63 2cu8 h SER 6 N 1.95 0.04 0.00 2.44 4.64 -2.07 -3.48 113.55 117.08 2cu8 h SER 6 Ca -0.42 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 2cu8 h SER 6 Cb 1.24 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2cu8 h SER 6 CO 0.75 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 177.48 2cu8 n GLY 7 N -0.74 1.12 3.50 -0.77 0.00 -1.26 -5.08 105.19 101.97 2cu8 n GLY 7 Ca -0.07 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 2cu8 n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2cu8 s MET 8 N -2.00 3.71 0.56 1.61 -2.45 -1.26 -4.98 119.30 114.48 2cu8 s MET 8 Ca 0.00 -1.70 0.07 0.00 -1.25 0.00 0.00 55.69 52.81 2cu8 s MET 8 Cb 0.00 -5.14 0.06 0.00 1.25 0.00 0.00 34.83 30.99 2cu8 s MET 8 CO 0.00 -1.96 0.57 0.00 1.05 0.00 0.00 175.02 174.68 2cu8 s ALA 9 N 3.41 4.55 0.82 4.11 0.00 -1.26 -5.14 121.76 128.26 2cu8 s ALA 9 Ca 0.41 -1.65 -0.08 0.00 0.00 0.00 0.00 51.96 50.64 2cu8 s ALA 9 Cb -0.02 -1.05 0.15 0.00 0.00 0.00 0.00 23.12 22.20 2cu8 s ALA 9 CO -0.06 -0.63 1.14 -1.12 0.00 0.00 0.00 175.76 175.09 2cu8 s SER 10 N -4.45 3.92 0.42 0.00 0.01 -1.26 -4.87 113.70 107.46 2cu8 s SER 10 Ca 0.46 0.05 0.08 0.00 1.31 0.00 0.00 55.95 57.85 2cu8 s SER 10 Cb -0.04 -0.34 -0.02 0.00 0.21 0.00 0.00 66.02 65.83 2cu8 s SER 10 CO 0.29 -2.18 0.38 -0.54 0.41 0.00 0.00 173.24 171.61 2cu8 s LYS 11 N -5.47 2.55 -0.20 12.44 1.02 -1.26 -0.60 119.74 128.22 2cu8 s LYS 11 Ca 0.68 -1.52 -0.06 0.00 0.02 0.00 0.00 55.97 55.10 2cu8 s LYS 11 Cb -0.06 -2.39 -0.03 0.00 -0.52 0.00 0.00 37.83 34.83 2cu8 s LYS 11 CO 0.48 -0.19 0.01 0.00 -0.92 0.00 0.00 175.35 174.73 2cu8 n PRO 13 N 4.08 0.49 -0.04 0.00 -0.04 -1.26 0.60 135.00 138.83 2cu8 n PRO 13 Ca -0.17 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.22 2cu8 n PRO 13 Cb 0.52 -1.22 -0.02 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.72 0.33 -0.50 0.54 3.00 -1.26 -4.74 118.16 114.80 2cu8 n LYS 14 Ca 0.05 0.13 0.08 0.00 -0.00 0.00 0.00 58.31 58.58 2cu8 n LYS 14 Cb 0.02 -1.07 0.28 0.00 0.00 0.00 0.00 35.03 34.26 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 -0.35 -0.66 -4.36 0.00 -0.08 0.20 -4.89 116.55 106.40 2cu8 n ASP 16 Ca 0.22 -0.95 -0.19 0.00 -1.51 0.00 0.00 54.79 52.36 2cu8 n ASP 16 Cb 0.93 -1.16 -0.10 0.00 2.34 0.00 0.00 41.12 43.12 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 -6.46 1.40 -0.30 -0.67 -0.14 -1.24 -4.76 119.74 107.58 2cu8 s LYS 17 Ca 0.14 -1.69 -0.29 0.00 -1.36 0.00 0.00 55.97 52.77 2cu8 s LYS 17 Cb -0.08 -0.90 -0.01 0.00 -1.68 0.00 0.00 37.83 35.16 2cu8 s LYS 17 CO 0.73 0.01 1.55 0.99 -0.76 0.00 0.00 175.35 177.87 2cu8 s THR 18 N -3.19 3.78 0.02 2.17 2.01 -1.26 0.85 115.64 120.02 2cu8 s THR 18 Ca 0.27 0.84 -0.30 0.00 0.31 0.00 0.00 61.69 62.81 2cu8 s THR 18 Cb 0.04 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 2cu8 s THR 18 CO 0.09 -0.46 1.05 -0.69 -0.69 0.00 0.00 174.62 173.91 2cu8 s VAL 19 N 5.45 4.61 -0.20 3.82 1.01 0.23 -4.93 120.40 130.39 2cu8 s VAL 19 Ca 0.68 1.88 -0.21 0.00 0.00 0.00 0.00 61.98 64.33 2cu8 s VAL 19 Cb -0.20 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 2cu8 s VAL 19 CO 0.30 0.15 0.64 -0.31 0.00 0.00 0.00 175.10 175.88 2cu8 s TYR 20 N 1.00 3.36 0.62 5.22 1.51 -1.26 -4.31 117.35 123.50 2cu8 s TYR 20 Ca 0.54 0.93 0.25 0.00 -1.01 0.00 0.00 57.07 57.77 2cu8 s TYR 20 Cb -0.24 -2.82 1.19 0.00 -0.11 0.00 0.00 41.96 39.99 2cu8 s TYR 20 CO 0.28 -0.20 1.65 0.35 -1.11 0.00 0.00 175.55 176.52 2cu8 h PHE 21 N 7.53 0.00 0.34 2.71 3.57 -1.95 0.58 116.94 129.72 2cu8 h PHE 21 Ca -0.31 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.18 2cu8 h PHE 21 Cb 1.14 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.88 2cu8 h PHE 21 CO 0.72 0.00 -0.16 0.00 -2.23 0.00 0.00 178.31 176.64 2cu8 h ALA 22 N 1.02 -0.46 -0.39 2.41 0.00 -2.03 -3.20 119.26 116.62 2cu8 h ALA 22 Ca 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2cu8 h ALA 22 Cb 1.53 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2cu8 h ALA 22 CO -0.00 -0.68 0.00 0.39 0.00 0.00 0.00 179.25 178.95 2cu8 n GLU 23 N -5.23 3.35 -2.21 0.00 4.71 0.02 -4.99 120.64 116.30 2cu8 n GLU 23 Ca -0.10 -2.76 -0.42 0.00 -0.01 0.00 0.00 57.16 53.87 2cu8 n GLU 23 Cb 0.24 -1.81 -0.03 0.00 -1.01 0.00 0.00 31.44 28.83 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 -2.32 4.30 -0.20 3.49 2.20 0.18 -4.38 119.74 123.00 2cu8 s LYS 24 Ca 0.42 2.00 -0.02 0.00 -0.36 0.00 0.00 55.97 58.02 2cu8 s LYS 24 Cb 0.31 -3.45 0.01 0.00 -1.51 0.00 0.00 37.83 33.19 2cu8 s LYS 24 CO 0.14 -0.51 -0.11 0.54 -0.36 0.00 0.00 175.35 175.04 2cu8 s VAL 25 N 1.87 2.76 0.46 4.02 0.11 -0.96 -4.97 120.40 123.68 2cu8 s VAL 25 Ca 0.64 -0.73 -0.22 0.00 -2.93 0.00 0.00 61.98 58.74 2cu8 s VAL 25 Cb -0.33 -2.23 -0.08 0.00 -1.53 0.00 0.00 36.38 32.20 2cu8 s VAL 25 CO 0.28 0.46 1.08 -0.94 -3.33 0.00 0.00 175.10 172.65 2cu8 s SER 26 N 1.38 6.37 -0.29 3.54 1.04 -1.26 -1.76 113.70 122.72 2cu8 s SER 26 Ca 0.05 2.06 -0.16 0.00 0.48 0.00 0.00 55.95 58.38 2cu8 s SER 26 Cb -0.14 -2.58 0.18 0.00 0.10 0.00 0.00 66.02 63.58 2cu8 s SER 26 CO -0.08 -0.76 1.10 -0.55 0.98 0.00 0.00 173.24 173.93 2cu8 s SER 27 N -1.70 -0.31 -1.30 7.02 0.15 -0.80 -4.71 113.70 112.05 2cu8 s SER 27 Ca 0.64 0.49 -0.07 0.00 0.70 0.00 0.00 55.95 57.71 2cu8 s SER 27 Cb -0.21 1.15 0.05 0.00 -1.71 0.00 0.00 66.02 65.29 2cu8 s SER 27 CO 0.26 -0.08 0.43 0.18 1.20 0.00 0.00 173.24 175.23 2cu8 n LEU 28 N 3.54 -1.71 -1.56 3.45 4.32 -1.26 -0.20 117.00 123.59 2cu8 n LEU 28 Ca -0.17 -0.27 -0.13 0.00 -0.02 0.00 0.00 56.01 55.42 2cu8 n LEU 28 Cb 0.57 -2.30 -0.00 0.00 -1.62 0.00 0.00 43.42 40.06 2cu8 n LEU 28 CO 0.03 0.12 -0.15 0.61 -1.22 0.00 0.00 177.39 176.79 2cu8 n GLY 29 N -1.18 -0.16 3.37 -0.72 0.00 -1.26 -5.01 105.19 100.23 2cu8 n GLY 29 Ca -0.06 -0.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.43 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 -4.73 1.74 -0.26 1.61 1.02 0.73 -5.14 119.74 114.70 2cu8 s LYS 30 Ca 0.02 -2.02 0.02 0.00 0.02 0.00 0.00 55.97 54.02 2cu8 s LYS 30 Cb -0.01 -0.10 0.06 0.00 -0.52 0.00 0.00 37.83 37.26 2cu8 s LYS 30 CO 0.03 -0.53 -0.10 -0.51 -0.92 0.00 0.00 175.35 173.33 2cu8 s ASP 31 N -3.44 4.46 0.30 2.83 1.01 -1.26 -1.90 116.67 118.68 2cu8 s ASP 31 Ca 0.34 -1.36 0.01 0.00 0.71 0.00 0.00 52.55 52.25 2cu8 s ASP 31 Cb 0.03 -1.57 0.01 0.00 1.01 0.00 0.00 42.92 42.41 2cu8 s ASP 31 CO 0.20 -0.19 0.10 0.79 0.21 0.00 0.00 175.17 176.28 2cu8 n TRP 32 N 4.46 -0.05 -3.32 4.23 7.02 -0.72 -4.40 117.44 124.65 2cu8 n TRP 32 Ca -0.14 -1.39 -0.10 0.00 -1.02 0.00 0.00 57.50 54.84 2cu8 n TRP 32 Cb 0.42 -0.22 0.02 0.00 -2.42 0.00 0.00 31.31 29.11 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 -0.95 -1.94 -0.08 -5.99 8.25 -1.26 -2.27 115.22 110.98 2cu8 n HIS 33 Ca -0.07 -1.01 -0.12 0.00 -0.26 0.00 0.00 57.72 56.26 2cu8 n HIS 33 Cb 0.36 -0.23 -0.09 0.00 1.12 0.00 0.00 29.99 31.16 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 -0.91 -0.41 1.79 -1.97 -3.31 116.57 111.77 2cu8 h LYS 34 Ca -0.14 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.25 2cu8 h LYS 34 Cb 0.57 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.18 2cu8 h LYS 34 CO 0.21 0.69 0.10 1.19 -1.08 0.00 0.00 179.45 180.56 2cu8 n PHE 35 N -4.60 0.91 -0.02 -1.35 3.01 -1.26 -3.57 117.46 110.59 2cu8 n PHE 35 Ca -0.14 -0.56 -0.01 0.00 1.01 0.00 0.00 57.45 57.75 2cu8 n PHE 35 Cb 0.42 -0.36 -0.03 0.00 -0.01 0.00 0.00 39.48 39.50 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 -2.08 4.90 -3.99 0.00 7.94 -1.23 -4.78 117.00 117.75 2cu8 n LEU 37 Ca -0.05 -2.89 -0.26 0.00 -1.11 0.00 0.00 56.01 51.70 2cu8 n LEU 37 Cb 0.56 -1.17 -0.17 0.00 0.53 0.00 0.00 43.42 43.18 2cu8 n LEU 37 CO 0.08 1.25 -0.46 -0.54 -1.11 0.00 0.00 177.39 176.61 2cu8 s LYS 38 N 1.84 1.70 0.38 1.96 -0.14 -1.26 -3.59 119.74 120.64 2cu8 s LYS 38 Ca 0.53 -0.38 -0.15 0.00 -1.36 0.00 0.00 55.97 54.61 2cu8 s LYS 38 Cb 0.22 -1.51 -0.12 0.00 -1.68 0.00 0.00 37.83 34.74 2cu8 s LYS 38 CO -0.01 -0.07 -0.07 0.00 -0.76 0.00 0.00 175.35 174.44 2cu8 n GLU 40 N 1.17 0.19 -0.10 0.00 2.13 -1.23 -2.95 120.64 119.85 2cu8 n GLU 40 Ca 0.07 -0.06 -0.12 0.00 0.66 0.00 0.00 57.16 57.71 2cu8 n GLU 40 Cb 0.36 -1.51 -0.04 0.00 0.27 0.00 0.00 31.44 30.52 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 -1.72 0.53 0.02 5.31 0.63 -1.26 -4.67 116.66 115.49 2cu8 n ARG 41 Ca 0.02 0.29 -0.00 0.00 -0.92 0.00 0.00 57.85 57.24 2cu8 n ARG 41 Cb 0.40 -1.50 -0.10 0.00 0.45 0.00 0.00 32.46 31.71 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 -2.82 -2.11 -4.40 0.00 2.88 -1.15 -5.01 113.62 101.02 2cu8 n SER 43 Ca -0.12 -0.55 -0.32 0.00 -1.33 0.00 0.00 58.87 56.56 2cu8 n SER 43 Cb 0.85 -4.63 -0.14 0.00 -0.75 0.00 0.00 64.21 59.53 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 -5.19 2.22 0.14 -1.46 2.20 -1.26 -4.82 119.74 111.57 2cu8 s LYS 44 Ca 0.01 -0.87 -0.27 0.00 -0.36 0.00 0.00 55.97 54.48 2cu8 s LYS 44 Cb -0.00 -2.18 -0.16 0.00 -1.51 0.00 0.00 37.83 33.98 2cu8 s LYS 44 CO 0.65 0.58 0.55 2.41 -0.36 0.00 0.00 175.35 179.18 2cu8 n THR 45 N 2.19 1.44 -4.37 3.43 -1.04 -1.26 -3.58 114.28 111.10 2cu8 n THR 45 Ca -0.17 -0.36 -0.19 0.00 -2.04 0.00 0.00 64.05 61.29 2cu8 n THR 45 Cb 0.52 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.93 2cu8 n THR 45 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2cu8 s LEU 46 N 2.17 2.47 -0.21 -4.42 1.43 -1.24 -4.91 118.68 113.97 2cu8 s LEU 46 Ca 0.61 -1.12 -0.06 0.00 -1.03 0.00 0.00 54.13 52.53 2cu8 s LEU 46 Cb -0.88 -0.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.73 2cu8 s LEU 46 CO 0.50 -0.30 0.03 -0.89 0.23 0.00 0.00 176.35 175.92 2cu8 s THR 47 N -3.07 4.16 -0.95 5.49 2.01 -1.26 -4.98 115.64 117.03 2cu8 s THR 47 Ca 0.26 -0.24 -0.24 0.00 0.31 0.00 0.00 61.69 61.78 2cu8 s THR 47 Cb 0.02 -2.90 -0.05 0.00 0.01 0.00 0.00 72.50 69.58 2cu8 s THR 47 CO 0.09 0.40 1.95 -2.16 -0.69 0.00 0.00 174.62 174.21 2cu8 s PRO 48 N 1.11 2.54 0.00 4.92 0.04 -1.26 -3.07 135.00 139.28 2cu8 s PRO 48 Ca 0.03 -0.44 0.00 0.00 0.04 0.00 0.00 61.00 60.63 2cu8 s PRO 48 Cb -0.14 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 29.30 2cu8 s PRO 48 CO 0.02 -3.49 0.00 0.41 0.04 0.00 0.00 177.00 173.98 2cu8 n GLY 49 N 6.67 0.43 0.00 0.56 0.00 -1.26 -4.84 105.19 106.76 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 -1.75 3.58 -0.02 0.00 -1.17 -5.06 105.19 100.76 2cu8 n GLY 50 Ca 0.00 0.79 -0.09 0.00 0.00 0.00 0.00 46.02 46.72 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 0.19 0.26 1.61 -3.43 -1.26 -4.80 115.29 107.85 2cu8 s HIS 51 Ca 0.00 -0.56 -0.03 0.00 -0.80 0.00 0.00 55.06 53.67 2cu8 s HIS 51 Cb 0.00 0.27 -0.05 0.00 -1.43 0.00 0.00 32.58 31.37 2cu8 s HIS 51 CO 0.00 -0.97 0.49 0.00 -2.00 0.00 0.00 174.74 172.26 2cu8 s ALA 52 N -3.97 3.71 0.07 -1.38 0.00 -1.19 -4.99 121.76 114.01 2cu8 s ALA 52 Ca 0.17 -0.68 0.06 0.00 0.00 0.00 0.00 51.96 51.52 2cu8 s ALA 52 Cb -0.01 -2.18 -0.03 0.00 0.00 0.00 0.00 23.12 20.91 2cu8 s ALA 52 CO 0.05 0.31 -0.17 -1.83 0.00 0.00 0.00 175.76 174.12 2cu8 s GLU 53 N -3.49 0.97 -0.18 0.00 1.03 -1.26 -1.09 118.70 114.68 2cu8 s GLU 53 Ca 0.42 -0.98 -0.07 0.00 0.03 0.00 0.00 54.97 54.37 2cu8 s GLU 53 Cb -0.11 -1.07 0.08 0.00 -0.80 0.00 0.00 34.13 32.24 2cu8 s GLU 53 CO 0.30 0.25 0.38 -1.58 -1.33 0.00 0.00 175.26 173.28 2cu8 s HIS 54 N -1.13 -0.70 -1.46 4.83 2.46 0.91 -4.88 115.29 115.32 2cu8 s HIS 54 Ca 0.02 1.39 0.00 0.00 0.47 0.00 0.00 55.06 56.94 2cu8 s HIS 54 Cb -0.10 0.23 0.00 0.00 -0.13 0.00 0.00 32.58 32.58 2cu8 s HIS 54 CO 0.03 -0.44 0.00 -0.25 -2.47 0.00 0.00 174.74 171.60 2cu8 n ASP 55 N 5.31 -4.40 0.00 9.88 8.00 -1.26 0.28 116.55 134.36 2cu8 n ASP 55 Ca -0.09 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.64 2cu8 n ASP 55 Cb 0.50 -3.83 0.00 0.00 -0.02 0.00 0.00 41.12 37.76 2cu8 n ASP 55 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2cu8 n GLY 56 N -0.63 2.32 3.72 0.44 0.00 -1.26 -5.03 105.19 104.75 2cu8 n GLY 56 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.68 4.20 0.70 1.61 3.01 0.14 -4.86 119.74 123.86 2cu8 s LYS 57 Ca 0.00 -0.12 -0.13 0.00 -1.01 0.00 0.00 55.97 54.71 2cu8 s LYS 57 Cb 0.00 -3.43 0.02 0.00 -1.01 0.00 0.00 37.83 33.41 2cu8 s LYS 57 CO 0.00 0.26 1.10 -1.25 0.51 0.00 0.00 175.35 175.97 2cu8 s PRO 58 N 0.47 2.59 -0.29 -1.68 0.04 -1.26 -0.07 135.00 134.80 2cu8 s PRO 58 Ca 0.11 1.30 -0.14 0.00 0.04 0.00 0.00 61.00 62.31 2cu8 s PRO 58 Cb -0.12 -1.93 0.12 0.00 0.04 0.00 0.00 34.50 32.61 2cu8 s PRO 58 CO 0.00 -1.40 0.75 -0.06 0.04 0.00 0.00 177.00 176.33 2cu8 s PHE 59 N -2.56 -1.05 0.94 0.56 0.08 -0.25 -3.54 117.98 112.16 2cu8 s PHE 59 Ca 0.65 1.96 -0.17 0.00 0.12 0.00 0.00 56.93 59.49 2cu8 s PHE 59 Cb -0.19 0.63 -0.15 0.00 -0.57 0.00 0.00 43.02 42.74 2cu8 s PHE 59 CO 0.47 -0.52 -0.74 0.00 -0.10 0.00 0.00 175.22 174.33 2cu8 h HIS 61 N -0.90 0.38 0.00 0.00 3.86 -1.93 -1.85 115.15 114.71 2cu8 h HIS 61 Ca -0.43 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 2cu8 h HIS 61 Cb 1.29 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.69 2cu8 h HIS 61 CO 0.21 0.05 0.00 0.36 0.86 0.00 0.00 177.93 179.41 2cu8 n LYS 62 N -5.03 0.00 0.14 2.45 2.85 -1.26 -3.56 118.16 113.74 2cu8 n LYS 62 Ca 0.11 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.49 2cu8 n LYS 62 Cb 0.34 0.00 0.50 0.00 -0.65 0.00 0.00 35.03 35.22 2cu8 n LYS 62 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 2cu8 n PRO 63 N -0.04 0.20 0.00 -1.58 -0.04 -1.26 -4.86 135.00 127.41 2cu8 n PRO 63 Ca 0.00 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 2cu8 n PRO 63 Cb 0.00 -1.89 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 2cu8 n PRO 63 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cu8 h TYR 65 N 0.00 -0.88 -0.47 0.00 3.20 -1.42 -2.73 116.97 114.67 2cu8 h TYR 65 Ca 0.00 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.93 2cu8 h TYR 65 Cb 0.00 0.36 -0.06 0.00 1.54 0.00 0.00 36.73 38.57 2cu8 h TYR 65 CO -0.14 -0.44 -0.28 0.00 -1.64 0.00 0.00 178.16 175.66 2cu8 n ALA 66 N -2.67 -0.30 -0.15 1.82 0.00 -0.08 -0.37 120.51 118.76 2cu8 n ALA 66 Ca -0.08 0.40 -0.06 0.00 0.00 0.00 0.00 53.44 53.71 2cu8 n ALA 66 Cb 0.33 0.12 0.01 0.00 0.00 0.00 0.00 19.45 19.91 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 0.25 -0.72 0.00 2.02 -0.21 0.13 112.91 114.38 2cu8 h THR 67 Ca 0.08 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.39 2cu8 h THR 67 Cb 0.19 0.25 -0.09 0.00 -1.74 0.00 0.00 68.15 66.77 2cu8 h THR 67 CO -0.44 0.00 0.26 -0.07 0.37 0.00 0.00 175.52 175.64 2cu8 h LEU 68 N -0.18 0.22 -5.28 2.58 3.38 -0.39 -2.47 115.31 113.17 2cu8 h LEU 68 Ca 0.21 0.11 -0.67 0.00 0.09 0.00 0.00 57.88 57.62 2cu8 h LEU 68 Cb 0.52 0.10 -0.36 0.00 0.09 0.00 0.00 40.66 41.01 2cu8 h LEU 68 CO -0.58 0.09 0.00 0.49 0.09 0.00 0.00 178.44 178.52 2cu8 n PHE 69 N -5.03 3.44 0.00 1.13 3.01 0.37 -4.85 117.46 115.52 2cu8 n PHE 69 Ca 0.13 -3.18 0.00 0.00 1.01 0.00 0.00 57.45 55.41 2cu8 n PHE 69 Cb 0.39 -0.67 0.00 0.00 -0.01 0.00 0.00 39.48 39.19 2cu8 n PHE 69 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2cu8 n GLY 70 N -0.31 3.91 3.89 1.37 0.00 0.24 -4.82 105.19 109.46 2cu8 n GLY 70 Ca 0.40 -0.32 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 2cu8 n GLY 70 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cu8 n SER 71 N 0.00 -3.04 -3.90 1.61 7.64 -1.26 -3.75 113.62 110.91 2cu8 n SER 71 Ca 0.00 -0.84 -0.12 0.00 1.01 0.00 0.00 58.87 58.92 2cu8 n SER 71 Cb 0.00 -3.73 -0.14 0.00 -1.01 0.00 0.00 64.21 59.33 2cu8 n SER 71 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cu8 s GLY 72 N -3.75 0.09 -0.84 0.23 0.00 -1.25 -4.91 107.32 96.89 2cu8 s GLY 72 Ca 0.39 -0.13 -0.25 0.00 0.00 0.00 0.00 44.72 44.73 2cu8 s GLY 72 CO 0.84 -0.14 1.93 2.56 0.00 0.00 0.00 173.10 178.30 2cu8 s PRO 73 N -0.24 2.56 -0.05 2.90 0.04 -1.26 -4.81 135.00 134.14 2cu8 s PRO 73 Ca -0.02 -0.08 -0.26 0.00 0.04 0.00 0.00 61.00 60.68 2cu8 s PRO 73 Cb -0.02 -4.91 -0.22 0.00 0.04 0.00 0.00 34.50 29.40 2cu8 s PRO 73 CO -0.00 -3.24 1.12 0.77 0.04 0.00 0.00 177.00 175.69 2cu8 h SER 74 N 12.14 0.08 -3.39 6.66 0.02 -1.98 -3.45 113.55 123.63 2cu8 h SER 74 Ca 0.02 -0.65 -0.23 0.00 -0.84 0.00 0.00 61.79 60.09 2cu8 h SER 74 Cb 1.04 -0.02 -0.31 0.00 0.14 0.00 0.00 62.40 63.25 2cu8 h SER 74 CO 1.21 0.71 -0.56 -0.55 -1.14 0.00 0.00 176.83 176.50 2cu8 s SER 75 N -5.96 -0.13 0.00 3.07 0.15 -1.26 -5.30 113.70 104.26 2cu8 s SER 75 Ca -0.16 0.37 0.03 0.00 0.70 0.00 0.00 55.95 56.89 2cu8 s SER 75 Cb 0.01 0.26 0.02 0.00 -1.71 0.00 0.00 66.02 64.60 2cu8 s SER 75 CO 0.70 -0.16 0.59 0.61 1.20 0.00 0.00 173.24 176.18