#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 -0.64 0.16 1.61 1.04 -1.26 -5.18 113.70 109.43 2cu8 s SER 2 Ca 0.00 1.24 0.02 0.00 0.48 0.00 0.00 55.95 57.70 2cu8 s SER 2 Cb 0.00 1.26 -0.05 0.00 0.10 0.00 0.00 66.02 67.34 2cu8 s SER 2 CO 0.00 -0.21 -0.02 -0.44 0.98 0.00 0.00 173.24 173.55 2cu8 s SER 3 N 0.34 1.31 -0.48 7.02 0.01 -1.26 -5.11 113.70 115.53 2cu8 s SER 3 Ca 0.01 -1.14 0.06 0.00 1.31 0.00 0.00 55.95 56.19 2cu8 s SER 3 Cb -0.05 0.09 0.25 0.00 0.21 0.00 0.00 66.02 66.53 2cu8 s SER 3 CO -0.02 -0.53 0.94 0.61 0.41 0.00 0.00 173.24 174.65 2cu8 n GLY 4 N -0.22 -0.01 3.31 3.44 0.00 -1.26 -5.15 105.19 105.30 2cu8 n GLY 4 Ca -0.07 0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.57 2.52 -0.10 1.61 1.04 -1.26 -5.15 113.70 110.78 2cu8 s SER 5 Ca 0.30 -0.83 -0.31 0.00 0.48 0.00 0.00 55.95 55.60 2cu8 s SER 5 Cb 0.24 -0.14 0.12 0.00 0.10 0.00 0.00 66.02 66.34 2cu8 s SER 5 CO -0.22 -0.04 1.01 -0.55 0.98 0.00 0.00 173.24 174.42 2cu8 s SER 6 N -2.51 -0.30 -0.26 7.02 0.15 -1.26 -5.15 113.70 111.39 2cu8 s SER 6 Ca 0.13 0.11 -0.02 0.00 0.70 0.00 0.00 55.95 56.88 2cu8 s SER 6 Cb -0.06 0.29 0.13 0.00 -1.71 0.00 0.00 66.02 64.67 2cu8 s SER 6 CO 0.05 -0.43 0.34 -0.83 1.20 0.00 0.00 173.24 173.58 2cu8 s GLY 7 N -1.97 -0.31 -0.78 9.45 0.00 -1.26 -5.10 107.32 107.36 2cu8 s GLY 7 Ca 0.04 0.39 -0.20 0.00 0.00 0.00 0.00 44.72 44.95 2cu8 s GLY 7 CO -0.05 2.65 0.97 -0.29 0.00 0.00 0.00 173.10 176.37 2cu8 s MET 8 N 2.47 3.35 0.07 2.90 -2.45 -1.26 -4.99 119.30 119.39 2cu8 s MET 8 Ca 0.10 -1.46 -0.08 0.00 -1.25 0.00 0.00 55.69 53.01 2cu8 s MET 8 Cb -0.15 -4.55 -0.01 0.00 1.25 0.00 0.00 34.83 31.38 2cu8 s MET 8 CO -0.22 -1.70 0.16 0.00 1.05 0.00 0.00 175.02 174.31 2cu8 s ALA 9 N 2.90 -0.16 0.40 4.11 0.00 -1.26 -5.04 121.76 122.70 2cu8 s ALA 9 Ca 0.24 -0.62 -0.24 0.00 0.00 0.00 0.00 51.96 51.34 2cu8 s ALA 9 Cb -0.13 0.41 -0.11 0.00 0.00 0.00 0.00 23.12 23.29 2cu8 s ALA 9 CO -0.01 -0.46 0.92 0.43 0.00 0.00 0.00 175.76 176.65 2cu8 n SER 10 N 0.15 0.85 -4.62 0.00 7.64 -1.26 -4.49 113.62 111.88 2cu8 n SER 10 Ca -0.16 1.03 -0.26 0.00 1.01 0.00 0.00 58.87 60.49 2cu8 n SER 10 Cb 0.61 -1.30 0.11 0.00 -1.01 0.00 0.00 64.21 62.63 2cu8 n SER 10 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2cu8 s LYS 11 N -1.87 1.60 -0.22 1.43 1.02 -1.26 -0.62 119.74 119.83 2cu8 s LYS 11 Ca 0.63 -0.59 -0.10 0.00 0.02 0.00 0.00 55.97 55.93 2cu8 s LYS 11 Cb -0.59 -2.14 -0.05 0.00 -0.52 0.00 0.00 37.83 34.53 2cu8 s LYS 11 CO 0.57 -1.62 0.13 0.00 -0.92 0.00 0.00 175.35 173.51 2cu8 n PRO 13 N 3.97 0.49 -0.02 0.00 -0.04 -1.26 0.31 135.00 138.46 2cu8 n PRO 13 Ca -0.16 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.26 2cu8 n PRO 13 Cb 0.52 -1.17 -0.01 0.00 -0.04 0.00 0.00 33.50 32.80 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 -0.67 0.24 -0.64 0.54 4.81 -1.26 -4.77 118.16 116.40 2cu8 n LYS 14 Ca 0.04 0.09 0.02 0.00 -0.87 0.00 0.00 58.31 57.59 2cu8 n LYS 14 Cb 0.02 -0.90 0.24 0.00 0.02 0.00 0.00 35.03 34.41 2cu8 n LYS 14 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2cu8 n ASP 16 N -0.75 -0.32 -4.51 0.00 2.03 0.15 -4.87 116.55 108.28 2cu8 n ASP 16 Ca 0.29 -0.84 -0.26 0.00 0.52 0.00 0.00 54.79 54.50 2cu8 n ASP 16 Cb 1.01 -1.03 -0.10 0.00 -0.72 0.00 0.00 41.12 40.28 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 -6.07 1.83 -0.60 -0.67 1.02 -1.24 -4.71 119.74 109.30 2cu8 s LYS 17 Ca 0.09 -1.42 -0.27 0.00 0.02 0.00 0.00 55.97 54.40 2cu8 s LYS 17 Cb -0.05 -2.01 -0.02 0.00 -0.52 0.00 0.00 37.83 35.23 2cu8 s LYS 17 CO 0.64 0.41 1.88 0.99 -0.92 0.00 0.00 175.35 178.36 2cu8 s THR 18 N -1.79 3.34 -0.79 2.17 2.01 -1.26 0.95 115.64 120.27 2cu8 s THR 18 Ca 0.24 0.20 -0.25 0.00 0.31 0.00 0.00 61.69 62.19 2cu8 s THR 18 Cb -0.08 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 2cu8 s THR 18 CO 0.13 -0.86 1.84 -0.69 -0.69 0.00 0.00 174.62 174.36 2cu8 s VAL 19 N 9.15 3.46 0.22 3.82 1.01 0.21 -4.94 120.40 133.33 2cu8 s VAL 19 Ca 0.69 -0.14 -0.32 0.00 0.00 0.00 0.00 61.98 62.21 2cu8 s VAL 19 Cb -0.13 -4.11 -0.14 0.00 0.00 0.00 0.00 36.38 32.00 2cu8 s VAL 19 CO 0.21 -1.05 1.33 -1.22 0.00 0.00 0.00 175.10 174.37 2cu8 n TYR 20 N 12.90 1.89 0.02 5.22 4.02 -1.26 -4.43 117.16 135.52 2cu8 n TYR 20 Ca 0.30 0.51 0.21 0.00 -0.01 0.00 0.00 57.90 58.91 2cu8 n TYR 20 Cb 0.49 -2.40 0.72 0.00 -0.02 0.00 0.00 39.34 38.13 2cu8 n TYR 20 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 2cu8 h PHE 21 N 3.94 0.00 0.42 -0.72 3.57 -1.93 0.68 116.94 122.90 2cu8 h PHE 21 Ca -0.44 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.04 2cu8 h PHE 21 Cb 1.30 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.04 2cu8 h PHE 21 CO 0.56 0.00 -0.20 0.00 -2.23 0.00 0.00 178.31 176.43 2cu8 h ALA 22 N 1.66 -0.57 -0.51 2.41 0.00 -2.01 -3.02 119.26 117.23 2cu8 h ALA 22 Ca 0.25 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2cu8 h ALA 22 Cb 1.07 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2cu8 h ALA 22 CO -0.00 -0.82 0.00 0.39 0.00 0.00 0.00 179.25 178.82 2cu8 n GLU 23 N -5.34 3.95 -2.37 0.00 4.71 -0.69 -4.96 120.64 115.95 2cu8 n GLU 23 Ca -0.11 -2.94 -0.43 0.00 -0.01 0.00 0.00 57.16 53.68 2cu8 n GLU 23 Cb 0.24 -1.99 -0.02 0.00 -1.01 0.00 0.00 31.44 28.66 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 -2.39 4.27 -0.24 3.49 2.20 0.23 -4.48 119.74 122.83 2cu8 s LYS 24 Ca 0.49 1.76 -0.01 0.00 -0.36 0.00 0.00 55.97 57.85 2cu8 s LYS 24 Cb 0.35 -3.69 0.03 0.00 -1.51 0.00 0.00 37.83 33.01 2cu8 s LYS 24 CO 0.17 -0.62 -0.09 0.54 -0.36 0.00 0.00 175.35 175.00 2cu8 s VAL 25 N 2.96 2.69 0.37 4.02 0.11 -1.22 -4.96 120.40 124.36 2cu8 s VAL 25 Ca 0.58 -1.05 -0.26 0.00 -2.93 0.00 0.00 61.98 58.32 2cu8 s VAL 25 Cb -0.25 -2.35 -0.09 0.00 -1.53 0.00 0.00 36.38 32.16 2cu8 s VAL 25 CO 0.20 0.24 1.11 -0.94 -3.33 0.00 0.00 175.10 172.38 2cu8 s SER 26 N 1.30 6.79 -0.30 3.54 1.04 -1.26 -2.43 113.70 122.38 2cu8 s SER 26 Ca 0.00 2.21 -0.16 0.00 0.48 0.00 0.00 55.95 58.48 2cu8 s SER 26 Cb -0.16 -2.61 0.17 0.00 0.10 0.00 0.00 66.02 63.52 2cu8 s SER 26 CO -0.06 -0.48 1.07 -0.55 0.98 0.00 0.00 173.24 174.20 2cu8 s SER 27 N -1.23 -0.43 -1.54 7.02 0.15 -0.27 -4.43 113.70 112.96 2cu8 s SER 27 Ca 0.54 0.61 -0.04 0.00 0.70 0.00 0.00 55.95 57.76 2cu8 s SER 27 Cb -0.28 1.45 0.01 0.00 -1.71 0.00 0.00 66.02 65.50 2cu8 s SER 27 CO 0.35 -0.09 0.40 0.18 1.20 0.00 0.00 173.24 175.28 2cu8 n LEU 28 N 4.66 -2.24 -1.89 3.45 4.32 -1.26 -1.52 117.00 122.51 2cu8 n LEU 28 Ca -0.10 -0.20 -0.13 0.00 -0.02 0.00 0.00 56.01 55.56 2cu8 n LEU 28 Cb 0.54 -2.80 0.02 0.00 -1.62 0.00 0.00 43.42 39.56 2cu8 n LEU 28 CO -0.03 0.09 0.00 0.61 -1.22 0.00 0.00 177.39 176.84 2cu8 n GLY 29 N -1.30 -0.02 3.31 -0.72 0.00 -1.26 -5.02 105.19 100.17 2cu8 n GLY 29 Ca -0.14 -0.24 -0.09 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 -5.23 1.08 -0.25 1.61 1.02 -0.58 -5.15 119.74 112.24 2cu8 s LYS 30 Ca 0.18 -1.09 -0.05 0.00 0.02 0.00 0.00 55.97 55.04 2cu8 s LYS 30 Cb -0.08 0.38 0.00 0.00 -0.52 0.00 0.00 37.83 37.61 2cu8 s LYS 30 CO 0.23 -0.39 0.00 -0.51 -0.92 0.00 0.00 175.35 173.77 2cu8 s ASP 31 N -2.93 4.65 0.30 2.83 1.01 -1.26 -1.11 116.67 120.16 2cu8 s ASP 31 Ca 0.13 -0.57 0.01 0.00 0.71 0.00 0.00 52.55 52.83 2cu8 s ASP 31 Cb 0.04 -1.79 0.01 0.00 1.01 0.00 0.00 42.92 42.19 2cu8 s ASP 31 CO -0.04 -0.10 0.07 0.79 0.21 0.00 0.00 175.17 176.11 2cu8 n TRP 32 N 4.81 0.21 -4.12 4.23 7.02 -1.02 -4.10 117.44 124.46 2cu8 n TRP 32 Ca -0.16 -1.42 -0.28 0.00 -1.02 0.00 0.00 57.50 54.61 2cu8 n TRP 32 Cb 0.49 -0.21 -0.07 0.00 -2.42 0.00 0.00 31.31 29.10 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 -1.92 3.03 -1.02 -5.99 3.76 -1.26 -3.43 115.29 108.46 2cu8 s HIS 33 Ca 0.05 -0.04 0.00 0.00 -0.15 0.00 0.00 55.06 54.92 2cu8 s HIS 33 Cb -0.00 -1.50 0.00 0.00 1.11 0.00 0.00 32.58 32.19 2cu8 s HIS 33 CO 0.03 0.51 0.97 1.63 -0.85 0.00 0.00 174.74 177.03 2cu8 n LYS 34 N 0.05 0.00 -0.03 1.40 4.01 -1.26 -1.07 118.16 121.26 2cu8 n LYS 34 Ca -0.09 0.47 -0.01 0.00 -0.51 0.00 0.00 58.31 58.17 2cu8 n LYS 34 Cb 0.54 -1.51 -0.06 0.00 -0.51 0.00 0.00 35.03 33.48 2cu8 n LYS 34 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 2cu8 n PHE 35 N -1.47 0.00 0.17 2.13 3.72 -1.26 -4.55 117.46 116.20 2cu8 n PHE 35 Ca 0.00 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.46 2cu8 n PHE 35 Cb 0.01 -0.33 0.11 0.00 -0.94 0.00 0.00 39.48 38.33 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 -3.21 6.82 -3.69 0.00 7.94 -0.24 -4.78 117.00 119.84 2cu8 n LEU 37 Ca 0.02 -3.77 -0.14 0.00 -1.11 0.00 0.00 56.01 51.01 2cu8 n LEU 37 Cb 0.65 -1.41 -0.14 0.00 0.53 0.00 0.00 43.42 43.05 2cu8 n LEU 37 CO 0.38 1.20 -0.16 -0.54 -1.11 0.00 0.00 177.39 177.15 2cu8 s LYS 38 N 3.06 0.13 0.42 1.96 -0.14 -1.26 -3.99 119.74 119.92 2cu8 s LYS 38 Ca 0.56 0.62 -0.21 0.00 -1.36 0.00 0.00 55.97 55.57 2cu8 s LYS 38 Cb 0.15 -0.12 -0.15 0.00 -1.68 0.00 0.00 37.83 36.03 2cu8 s LYS 38 CO -0.04 -0.25 0.16 0.00 -0.76 0.00 0.00 175.35 174.46 2cu8 n GLU 40 N 1.18 0.65 -0.07 0.00 4.07 -1.24 -2.96 120.64 122.28 2cu8 n GLU 40 Ca 0.11 -0.18 -0.05 0.00 -0.06 0.00 0.00 57.16 56.98 2cu8 n GLU 40 Cb 0.41 -1.51 -0.03 0.00 -0.06 0.00 0.00 31.44 30.25 2cu8 n GLU 40 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 2cu8 h ARG 41 N 0.00 0.00 0.06 5.31 2.43 -1.90 -3.41 114.38 116.87 2cu8 h ARG 41 Ca -0.04 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.80 2cu8 h ARG 41 Cb 1.07 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.59 2cu8 h ARG 41 CO 0.00 0.17 -1.83 0.00 -1.51 0.00 0.00 179.97 176.81 2cu8 n SER 43 N -3.27 -2.32 -4.30 0.00 7.64 -1.16 -5.04 113.62 105.18 2cu8 n SER 43 Ca -0.24 -0.28 -0.31 0.00 1.01 0.00 0.00 58.87 59.05 2cu8 n SER 43 Cb 1.05 -2.64 -0.16 0.00 -1.01 0.00 0.00 64.21 61.45 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 -4.78 2.23 -0.34 1.43 2.20 -1.26 -4.88 119.74 114.34 2cu8 s LYS 44 Ca 0.04 -0.92 -0.41 0.00 -0.36 0.00 0.00 55.97 54.32 2cu8 s LYS 44 Cb -0.02 -2.07 -0.18 0.00 -1.51 0.00 0.00 37.83 34.05 2cu8 s LYS 44 CO 0.34 0.51 1.33 2.41 -0.36 0.00 0.00 175.35 179.58 2cu8 n THR 45 N 2.58 0.00 -3.10 3.43 -1.04 -1.26 -3.91 114.28 110.99 2cu8 n THR 45 Ca -0.16 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.66 2cu8 n THR 45 Cb 0.51 -0.34 0.03 0.00 -1.82 0.00 0.00 70.33 68.71 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 2.06 3.33 -0.17 -4.42 1.43 -1.26 -4.98 118.68 114.68 2cu8 s LEU 46 Ca 0.92 -0.68 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 2cu8 s LEU 46 Cb -1.30 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 42.87 2cu8 s LEU 46 CO 0.69 -1.05 -0.18 -0.89 0.23 0.00 0.00 176.35 175.14 2cu8 s THR 47 N -2.53 2.25 -0.99 5.49 2.01 -1.26 -5.02 115.64 115.59 2cu8 s THR 47 Ca 0.57 -0.89 -0.24 0.00 0.31 0.00 0.00 61.69 61.44 2cu8 s THR 47 Cb -0.07 -1.94 -0.06 0.00 0.01 0.00 0.00 72.50 70.43 2cu8 s THR 47 CO 0.35 0.53 1.94 -2.16 -0.69 0.00 0.00 174.62 174.59 2cu8 s PRO 48 N 1.16 2.53 0.00 4.92 0.04 -1.26 -3.09 135.00 139.30 2cu8 s PRO 48 Ca 0.02 -0.56 0.00 0.00 0.04 0.00 0.00 61.00 60.50 2cu8 s PRO 48 Cb -0.14 -5.12 0.00 0.00 0.04 0.00 0.00 34.50 29.28 2cu8 s PRO 48 CO -0.08 -3.57 0.00 0.41 0.04 0.00 0.00 177.00 173.80 2cu8 n GLY 49 N 6.53 0.50 0.00 0.56 0.00 -1.26 -4.79 105.19 106.73 2cu8 n GLY 49 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.41 3.44 -0.02 0.00 -1.18 -5.03 105.19 101.99 2cu8 n GLY 50 Ca 0.00 0.17 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 0.82 0.26 1.61 -3.43 -1.26 -4.82 115.29 108.47 2cu8 s HIS 51 Ca 0.00 -1.09 0.06 0.00 -0.80 0.00 0.00 55.06 53.22 2cu8 s HIS 51 Cb 0.00 -0.13 -0.03 0.00 -1.43 0.00 0.00 32.58 30.99 2cu8 s HIS 51 CO 0.00 -0.92 0.33 0.00 -2.00 0.00 0.00 174.74 172.15 2cu8 s ALA 52 N -3.79 3.89 0.01 -1.38 0.00 -0.81 -4.96 121.76 114.71 2cu8 s ALA 52 Ca 0.30 -1.32 0.01 0.00 0.00 0.00 0.00 51.96 50.95 2cu8 s ALA 52 Cb 0.02 -1.60 -0.01 0.00 0.00 0.00 0.00 23.12 21.53 2cu8 s ALA 52 CO 0.13 0.20 -0.04 -1.83 0.00 0.00 0.00 175.76 174.22 2cu8 s GLU 53 N -3.97 0.30 -0.15 0.00 -1.05 -1.26 -0.38 118.70 112.19 2cu8 s GLU 53 Ca 0.35 -0.30 -0.06 0.00 -0.15 0.00 0.00 54.97 54.82 2cu8 s GLU 53 Cb -0.09 -0.20 0.07 0.00 -0.44 0.00 0.00 34.13 33.47 2cu8 s GLU 53 CO 0.28 0.05 0.32 -1.58 0.95 0.00 0.00 175.26 175.28 2cu8 s HIS 54 N -0.50 -0.52 -1.53 4.83 2.46 0.60 -4.88 115.29 115.75 2cu8 s HIS 54 Ca -0.03 1.11 -0.02 0.00 0.47 0.00 0.00 55.06 56.59 2cu8 s HIS 54 Cb -0.04 0.11 0.01 0.00 -0.13 0.00 0.00 32.58 32.53 2cu8 s HIS 54 CO -0.00 -0.35 0.24 -0.25 -2.47 0.00 0.00 174.74 171.90 2cu8 n ASP 55 N 4.92 -5.40 0.00 9.88 9.92 -1.26 -0.84 116.55 133.77 2cu8 n ASP 55 Ca -0.14 -0.10 0.00 0.00 -0.53 0.00 0.00 54.79 54.03 2cu8 n ASP 55 Cb 0.51 -4.46 0.00 0.00 -0.64 0.00 0.00 41.12 36.53 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 -1.15 2.97 3.72 0.44 0.00 -1.26 -5.00 105.19 104.91 2cu8 n GLY 56 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.20 4.36 0.59 1.61 1.02 -0.02 -4.78 119.74 122.32 2cu8 s LYS 57 Ca 0.00 0.58 -0.17 0.00 0.02 0.00 0.00 55.97 56.40 2cu8 s LYS 57 Cb 0.00 -3.45 -0.03 0.00 -0.52 0.00 0.00 37.83 33.83 2cu8 s LYS 57 CO 0.00 0.10 1.12 -1.25 -0.92 0.00 0.00 175.35 174.40 2cu8 s PRO 58 N 0.77 3.12 -0.22 -1.68 0.04 -1.26 -0.29 135.00 135.48 2cu8 s PRO 58 Ca 0.29 1.51 -0.16 0.00 0.04 0.00 0.00 61.00 62.69 2cu8 s PRO 58 Cb -0.16 -1.98 0.06 0.00 0.04 0.00 0.00 34.50 32.46 2cu8 s PRO 58 CO 0.13 -1.02 0.56 -0.06 0.04 0.00 0.00 177.00 176.65 2cu8 s PHE 59 N -2.02 -0.75 0.86 0.56 0.08 0.49 -3.61 117.98 113.58 2cu8 s PHE 59 Ca 0.70 1.64 -0.14 0.00 0.12 0.00 0.00 56.93 59.25 2cu8 s PHE 59 Cb -0.22 0.36 -0.00 0.00 -0.57 0.00 0.00 43.02 42.58 2cu8 s PHE 59 CO 0.33 -0.38 0.40 0.00 -0.10 0.00 0.00 175.22 175.47 2cu8 h HIS 61 N -1.05 0.74 0.00 0.00 3.86 -1.92 -1.14 115.15 115.64 2cu8 h HIS 61 Ca -0.44 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 58.80 2cu8 h HIS 61 Cb 1.31 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 29.58 2cu8 h HIS 61 CO 0.36 0.14 0.00 0.36 0.86 0.00 0.00 177.93 179.66 2cu8 n LYS 62 N -4.90 0.00 0.17 2.45 2.85 -1.26 -3.26 118.16 114.21 2cu8 n LYS 62 Ca 0.18 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.57 2cu8 n LYS 62 Cb 0.46 0.00 0.55 0.00 -0.65 0.00 0.00 35.03 35.39 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 -0.41 -0.47 0.00 5.03 -1.30 -2.77 116.97 117.06 2cu8 h TYR 65 Ca 0.00 0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.35 2cu8 h TYR 65 Cb 0.00 0.16 -0.06 0.00 1.55 0.00 0.00 36.73 38.38 2cu8 h TYR 65 CO -0.15 -0.24 -0.28 0.00 -1.32 0.00 0.00 178.16 176.18 2cu8 n ALA 66 N -2.36 -0.30 0.09 1.82 0.00 -0.09 -1.02 120.51 118.66 2cu8 n ALA 66 Ca -0.08 0.40 -0.11 0.00 0.00 0.00 0.00 53.44 53.65 2cu8 n ALA 66 Cb 0.20 0.13 -0.07 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.69 0.00 2.02 -0.33 -0.65 112.91 112.26 2cu8 h THR 67 Ca 0.07 0.00 0.52 0.00 0.77 0.00 0.00 66.41 67.77 2cu8 h THR 67 Cb 0.19 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.50 2cu8 h THR 67 CO -0.44 0.00 1.17 0.18 0.37 0.00 0.00 175.52 176.80 2cu8 n LEU 68 N -4.45 0.08 -4.05 2.58 4.77 -0.60 -2.33 117.00 113.00 2cu8 n LEU 68 Ca -0.06 1.12 -0.34 0.00 -0.03 0.00 0.00 56.01 56.70 2cu8 n LEU 68 Cb 0.28 -0.55 -0.10 0.00 -2.33 0.00 0.00 43.42 40.72 2cu8 n LEU 68 CO 0.11 -1.16 0.08 -0.36 -1.33 0.00 0.00 177.39 174.72 2cu8 s PHE 69 N -4.95 3.52 -0.23 -1.77 0.40 -0.19 -5.03 117.98 109.73 2cu8 s PHE 69 Ca -0.06 -2.97 -0.14 0.00 -0.60 0.00 0.00 56.93 53.16 2cu8 s PHE 69 Cb 0.28 -3.08 0.07 0.00 0.51 0.00 0.00 43.02 40.80 2cu8 s PHE 69 CO 0.84 -0.75 0.58 0.20 0.70 0.00 0.00 175.22 176.79 2cu8 s GLY 70 N -0.03 -0.50 -0.51 4.36 0.00 -0.98 -4.79 107.32 104.87 2cu8 s GLY 70 Ca 0.21 2.00 0.04 0.00 0.00 0.00 0.00 44.72 46.97 2cu8 s GLY 70 CO -0.07 2.00 0.25 -0.45 0.00 0.00 0.00 173.10 174.83 2cu8 s SER 71 N 1.34 4.26 0.00 1.64 0.15 -1.26 -5.00 113.70 114.83 2cu8 s SER 71 Ca -0.08 -2.95 0.00 0.00 0.70 0.00 0.00 55.95 53.61 2cu8 s SER 71 Cb -0.06 -1.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.67 2cu8 s SER 71 CO -0.14 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.67 2cu8 n GLY 72 N 3.18 1.72 3.69 9.45 0.00 -1.26 -5.13 105.19 116.84 2cu8 n GLY 72 Ca 0.05 0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 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 3.78 4.28 0.51 1.61 0.04 -1.26 -4.98 135.00 138.97 2cu8 s PRO 73 Ca 0.00 2.02 -0.23 0.00 0.04 0.00 0.00 61.00 62.83 2cu8 s PRO 73 Cb 0.00 -3.53 -0.06 0.00 0.04 0.00 0.00 34.50 30.95 2cu8 s PRO 73 CO 0.00 -0.58 1.35 -1.54 0.04 0.00 0.00 177.00 176.27 2cu8 s SER 74 N 1.85 5.55 0.19 6.66 1.04 -1.26 -5.03 113.70 122.69 2cu8 s SER 74 Ca 0.65 2.74 -0.08 0.00 0.48 0.00 0.00 55.95 59.75 2cu8 s SER 74 Cb -0.33 -2.64 -0.02 0.00 0.10 0.00 0.00 66.02 63.14 2cu8 s SER 74 CO 0.28 -1.38 0.28 -0.44 0.98 0.00 0.00 173.24 172.95 2cu8 s SER 75 N -0.89 0.05 0.00 7.02 0.01 -1.26 -5.28 113.70 113.36 2cu8 s SER 75 Ca 0.68 -1.02 0.00 0.00 1.31 0.00 0.00 55.95 56.92 2cu8 s SER 75 Cb -0.40 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.28 2cu8 s SER 75 CO 0.48 -0.93 0.00 0.61 0.41 0.00 0.00 173.24 173.81