#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cu8 h SER 2 N 0.00 -1.68 -3.24 1.61 0.87 -2.12 -3.45 113.55 105.54 2cu8 h SER 2 Ca 0.00 0.30 -0.17 0.00 -1.23 0.00 0.00 61.79 60.69 2cu8 h SER 2 Cb 0.00 0.80 0.06 0.00 -0.44 0.00 0.00 62.40 62.83 2cu8 h SER 2 CO 0.00 -0.28 -0.31 -0.24 -0.53 0.00 0.00 176.83 175.47 2cu8 n SER 3 N -5.39 -3.53 -2.71 6.23 2.88 -1.26 -4.98 113.62 104.86 2cu8 n SER 3 Ca 0.05 -0.25 -0.07 0.00 -1.33 0.00 0.00 58.87 57.28 2cu8 n SER 3 Cb 0.34 -2.51 0.08 0.00 -0.75 0.00 0.00 64.21 61.37 2cu8 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cu8 n GLY 4 N -1.14 -0.43 3.51 0.46 0.00 -1.26 -5.13 105.19 101.20 2cu8 n GLY 4 Ca -0.02 0.40 -0.37 0.00 0.00 0.00 0.00 46.02 46.03 2cu8 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cu8 s SER 5 N -1.05 5.47 0.29 1.61 0.15 -1.26 -5.09 113.70 113.82 2cu8 s SER 5 Ca 0.26 -0.11 -0.12 0.00 0.70 0.00 0.00 55.95 56.68 2cu8 s SER 5 Cb 0.25 -1.99 -0.08 0.00 -1.71 0.00 0.00 66.02 62.49 2cu8 s SER 5 CO -0.15 -0.02 0.66 -0.94 1.20 0.00 0.00 173.24 173.99 2cu8 s SER 6 N 1.52 6.68 -1.12 5.45 1.04 -1.26 -4.38 113.70 121.64 2cu8 s SER 6 Ca 0.06 1.10 -0.16 0.00 0.48 0.00 0.00 55.95 57.44 2cu8 s SER 6 Cb -0.15 -2.30 -0.03 0.00 0.10 0.00 0.00 66.02 63.64 2cu8 s SER 6 CO 0.06 -0.17 0.83 0.61 0.98 0.00 0.00 173.24 175.55 2cu8 n GLY 7 N -0.39 -1.02 3.59 7.32 0.00 -1.26 -4.79 105.19 108.64 2cu8 n GLY 7 Ca 0.02 0.49 -0.50 0.00 0.00 0.00 0.00 46.02 46.03 2cu8 n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2cu8 n MET 8 N -3.90 1.59 -0.56 1.61 2.00 -1.26 -4.92 117.12 111.69 2cu8 n MET 8 Ca -0.09 0.53 -0.30 0.00 0.00 0.00 0.00 57.70 57.84 2cu8 n MET 8 Cb 0.60 -2.56 0.22 0.00 0.00 0.00 0.00 33.22 31.49 2cu8 n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2cu8 n ALA 9 N 8.17 -2.69 -0.95 3.04 0.00 -1.26 -4.98 120.51 121.83 2cu8 n ALA 9 Ca 0.31 -1.05 -0.29 0.00 0.00 0.00 0.00 53.44 52.41 2cu8 n ALA 9 Cb 0.26 -1.96 0.21 0.00 0.00 0.00 0.00 19.45 17.97 2cu8 n ALA 9 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2cu8 s SER 10 N -2.34 1.74 0.38 0.00 0.01 -1.26 -4.96 113.70 107.26 2cu8 s SER 10 Ca 0.66 1.18 0.04 0.00 1.31 0.00 0.00 55.95 59.14 2cu8 s SER 10 Cb -0.23 -1.83 -0.06 0.00 0.21 0.00 0.00 66.02 64.11 2cu8 s SER 10 CO 0.64 -3.68 0.05 -0.54 0.41 0.00 0.00 173.24 170.12 2cu8 s LYS 11 N -4.87 1.83 -0.22 12.44 1.02 -1.26 -3.26 119.74 125.42 2cu8 s LYS 11 Ca 0.67 -2.05 -0.09 0.00 0.02 0.00 0.00 55.97 54.52 2cu8 s LYS 11 Cb -0.19 -1.13 -0.04 0.00 -0.52 0.00 0.00 37.83 35.94 2cu8 s LYS 11 CO 0.60 -0.20 0.11 0.00 -0.92 0.00 0.00 175.35 174.94 2cu8 n PRO 13 N 4.09 0.49 -0.05 0.00 -0.04 -1.26 0.12 135.00 138.35 2cu8 n PRO 13 Ca -0.16 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.21 2cu8 n PRO 13 Cb 0.52 -1.18 -0.03 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.68 0.33 -0.17 0.54 3.00 -1.26 -4.73 118.16 115.19 2cu8 n LYS 14 Ca 0.04 0.14 0.08 0.00 -0.00 0.00 0.00 58.31 58.57 2cu8 n LYS 14 Cb 0.02 -1.07 0.17 0.00 0.00 0.00 0.00 35.03 34.15 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 0.92 -4.11 -4.48 0.00 2.03 0.33 -4.93 116.55 106.31 2cu8 n ASP 16 Ca 0.14 -0.65 -0.24 0.00 0.52 0.00 0.00 54.79 54.56 2cu8 n ASP 16 Cb 0.47 -3.34 -0.10 0.00 -0.72 0.00 0.00 41.12 37.42 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 -6.40 1.73 -0.12 -0.67 -0.14 -1.23 -4.68 119.74 108.22 2cu8 s LYS 17 Ca 0.56 -1.71 -0.29 0.00 -1.36 0.00 0.00 55.97 53.17 2cu8 s LYS 17 Cb -0.29 -1.82 -0.04 0.00 -1.68 0.00 0.00 37.83 34.01 2cu8 s LYS 17 CO 0.69 0.34 1.49 0.99 -0.76 0.00 0.00 175.35 178.11 2cu8 s THR 18 N -2.41 3.87 -0.03 2.17 2.01 -1.26 0.19 115.64 120.18 2cu8 s THR 18 Ca 0.29 1.05 -0.26 0.00 0.31 0.00 0.00 61.69 63.09 2cu8 s THR 18 Cb -0.05 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 2cu8 s THR 18 CO 0.15 -0.12 0.79 -0.69 -0.69 0.00 0.00 174.62 174.06 2cu8 s VAL 19 N 3.94 4.96 0.04 3.82 1.01 -1.20 -4.90 120.40 128.07 2cu8 s VAL 19 Ca 0.66 1.65 0.01 0.00 0.00 0.00 0.00 61.98 64.29 2cu8 s VAL 19 Cb -0.28 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 2cu8 s VAL 19 CO 0.24 0.24 0.10 -0.31 0.00 0.00 0.00 175.10 175.37 2cu8 s TYR 20 N 0.75 3.29 0.44 5.22 2.02 -1.26 -4.80 117.35 123.01 2cu8 s TYR 20 Ca 0.42 0.16 0.33 0.00 -0.37 0.00 0.00 57.07 57.61 2cu8 s TYR 20 Cb -0.19 -1.69 1.49 0.00 -0.40 0.00 0.00 41.96 41.17 2cu8 s TYR 20 CO 0.22 0.55 1.56 0.34 -1.57 0.00 0.00 175.55 176.64 2cu8 n PHE 21 N 0.70 0.69 -0.20 2.71 7.35 -1.26 0.71 117.46 128.15 2cu8 n PHE 21 Ca -0.10 0.69 0.01 0.00 -0.76 0.00 0.00 57.45 57.30 2cu8 n PHE 21 Cb 0.52 -1.13 0.11 0.00 0.35 0.00 0.00 39.48 39.32 2cu8 n PHE 21 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2cu8 h ALA 22 N 1.58 0.65 -0.18 3.13 0.00 -2.02 -2.02 119.26 120.39 2cu8 h ALA 22 Ca 0.88 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.96 2cu8 h ALA 22 Cb 2.85 0.27 0.00 0.00 0.00 0.00 0.00 17.79 20.91 2cu8 h ALA 22 CO -0.46 -0.37 0.00 0.39 0.00 0.00 0.00 179.25 178.82 2cu8 n GLU 23 N -5.23 2.46 -2.14 0.00 4.71 0.22 -5.01 120.64 115.66 2cu8 n GLU 23 Ca 0.09 -2.58 -0.42 0.00 -0.01 0.00 0.00 57.16 54.24 2cu8 n GLU 23 Cb 0.35 -1.62 -0.03 0.00 -1.01 0.00 0.00 31.44 29.13 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 -2.49 4.24 -0.11 3.49 2.47 0.97 -3.81 119.74 124.49 2cu8 s LYS 24 Ca 0.34 2.06 -0.04 0.00 -1.56 0.00 0.00 55.97 56.77 2cu8 s LYS 24 Cb 0.27 -3.71 0.06 0.00 -1.46 0.00 0.00 37.83 32.99 2cu8 s LYS 24 CO 0.07 -0.69 0.17 0.54 0.16 0.00 0.00 175.35 175.60 2cu8 s VAL 25 N 2.99 -0.26 0.34 4.02 0.11 -1.20 -4.96 120.40 121.44 2cu8 s VAL 25 Ca 0.67 0.25 -0.27 0.00 -2.93 0.00 0.00 61.98 59.70 2cu8 s VAL 25 Cb -0.32 -0.38 -0.09 0.00 -1.53 0.00 0.00 36.38 34.06 2cu8 s VAL 25 CO 0.27 0.06 1.12 -0.94 -3.33 0.00 0.00 175.10 172.29 2cu8 s SER 26 N 2.29 6.92 -0.30 3.54 1.04 -1.26 -2.50 113.70 123.43 2cu8 s SER 26 Ca 0.04 2.27 -0.15 0.00 0.48 0.00 0.00 55.95 58.58 2cu8 s SER 26 Cb -0.13 -2.62 0.16 0.00 0.10 0.00 0.00 66.02 63.54 2cu8 s SER 26 CO -0.07 -0.39 1.01 -0.55 0.98 0.00 0.00 173.24 174.22 2cu8 s SER 27 N -1.07 -0.52 -1.44 7.02 0.15 -1.03 -4.30 113.70 112.51 2cu8 s SER 27 Ca 0.51 0.74 -0.03 0.00 0.70 0.00 0.00 55.95 57.87 2cu8 s SER 27 Cb -0.30 1.51 0.02 0.00 -1.71 0.00 0.00 66.02 65.53 2cu8 s SER 27 CO 0.38 -0.11 0.29 0.18 1.20 0.00 0.00 173.24 175.19 2cu8 n LEU 28 N 4.61 -1.92 -2.33 3.45 4.32 -1.26 -1.39 117.00 122.48 2cu8 n LEU 28 Ca -0.11 -0.12 -0.15 0.00 -0.02 0.00 0.00 56.01 55.61 2cu8 n LEU 28 Cb 0.54 -2.61 0.04 0.00 -1.62 0.00 0.00 43.42 39.78 2cu8 n LEU 28 CO -0.03 0.02 0.13 0.61 -1.22 0.00 0.00 177.39 176.90 2cu8 n GLY 29 N -1.16 0.02 3.40 -0.72 0.00 -1.26 -5.02 105.19 100.44 2cu8 n GLY 29 Ca -0.14 -0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.59 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 -5.72 1.88 -0.25 1.61 -0.14 -0.49 -5.15 119.74 111.49 2cu8 s LYS 30 Ca 0.33 -1.90 0.02 0.00 -1.36 0.00 0.00 55.97 53.06 2cu8 s LYS 30 Cb -0.15 0.39 0.06 0.00 -1.68 0.00 0.00 37.83 36.46 2cu8 s LYS 30 CO 0.41 -0.74 -0.07 -0.51 -0.76 0.00 0.00 175.35 173.68 2cu8 s ASP 31 N -3.31 4.08 0.27 2.83 1.01 -1.26 -2.47 116.67 117.82 2cu8 s ASP 31 Ca 0.35 -1.29 0.02 0.00 0.71 0.00 0.00 52.55 52.34 2cu8 s ASP 31 Cb 0.01 -1.31 0.02 0.00 1.01 0.00 0.00 42.92 42.64 2cu8 s ASP 31 CO 0.24 -0.23 0.13 0.79 0.21 0.00 0.00 175.17 176.31 2cu8 n TRP 32 N 4.58 -0.41 -3.15 4.23 7.02 -1.04 -4.31 117.44 124.36 2cu8 n TRP 32 Ca -0.12 -1.22 -0.12 0.00 -1.02 0.00 0.00 57.50 55.02 2cu8 n TRP 32 Cb 0.43 -0.21 0.03 0.00 -2.42 0.00 0.00 31.31 29.15 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 -0.96 -2.29 0.08 -5.99 8.25 -1.26 -3.21 115.22 109.83 2cu8 n HIS 33 Ca -0.05 -1.28 0.08 0.00 -0.26 0.00 0.00 57.72 56.21 2cu8 n HIS 33 Cb 0.32 -0.32 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 2cu8 n HIS 33 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2cu8 n LYS 34 N -1.67 0.61 -0.41 -0.41 4.76 -1.25 -4.00 118.16 115.79 2cu8 n LYS 34 Ca 0.08 0.13 0.06 0.00 -2.87 0.00 0.00 58.31 55.71 2cu8 n LYS 34 Cb 0.36 -1.81 0.19 0.00 -1.84 0.00 0.00 35.03 31.94 2cu8 n LYS 34 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2cu8 n PHE 35 N -2.72 0.38 -0.03 2.13 3.01 -1.26 -4.64 117.46 114.34 2cu8 n PHE 35 Ca -0.03 -1.22 -0.05 0.00 1.01 0.00 0.00 57.45 57.17 2cu8 n PHE 35 Cb 0.64 -0.27 -0.02 0.00 -0.01 0.00 0.00 39.48 39.81 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 -2.86 0.79 -3.69 0.00 7.94 -1.26 -4.77 117.00 113.15 2cu8 n LEU 37 Ca -0.10 -2.24 -0.10 0.00 -1.11 0.00 0.00 56.01 52.45 2cu8 n LEU 37 Cb 0.60 -1.54 -0.11 0.00 0.53 0.00 0.00 43.42 42.90 2cu8 n LEU 37 CO 0.04 -3.29 0.03 -0.54 -1.11 0.00 0.00 177.39 172.52 2cu8 s LYS 38 N 8.01 0.36 0.41 1.96 -0.14 -1.26 -4.06 119.74 125.02 2cu8 s LYS 38 Ca 0.70 0.80 -0.23 0.00 -1.36 0.00 0.00 55.97 55.89 2cu8 s LYS 38 Cb -0.06 0.02 -0.13 0.00 -1.68 0.00 0.00 37.83 35.98 2cu8 s LYS 38 CO 0.16 -0.18 0.56 0.00 -0.76 0.00 0.00 175.35 175.13 2cu8 n GLU 40 N 0.63 1.83 -0.04 0.00 4.07 -1.21 -2.80 120.64 123.12 2cu8 n GLU 40 Ca 0.12 -1.45 -0.09 0.00 -0.06 0.00 0.00 57.16 55.68 2cu8 n GLU 40 Cb 0.39 -1.47 -0.03 0.00 -0.06 0.00 0.00 31.44 30.27 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 0.68 0.29 0.07 5.31 0.63 -1.26 -4.75 116.66 117.63 2cu8 n ARG 41 Ca 0.13 0.12 0.11 0.00 -0.92 0.00 0.00 57.85 57.29 2cu8 n ARG 41 Cb 0.52 -0.99 -0.05 0.00 0.45 0.00 0.00 32.46 32.38 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 -2.56 -2.48 -4.66 0.00 7.64 -1.12 -5.00 113.62 105.43 2cu8 n SER 43 Ca -0.02 -0.68 -0.25 0.00 1.01 0.00 0.00 58.87 58.93 2cu8 n SER 43 Cb 0.57 -4.71 -0.07 0.00 -1.01 0.00 0.00 64.21 58.99 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 -5.75 2.38 0.07 1.43 2.47 -1.26 -4.84 119.74 114.24 2cu8 s LYS 44 Ca 0.12 -1.23 -0.31 0.00 -1.56 0.00 0.00 55.97 52.99 2cu8 s LYS 44 Cb -0.05 -2.29 -0.09 0.00 -1.46 0.00 0.00 37.83 33.94 2cu8 s LYS 44 CO 0.76 0.42 1.71 0.99 0.16 0.00 0.00 175.35 179.38 2cu8 s THR 45 N -1.98 2.97 0.22 3.43 2.01 -1.26 -3.27 115.64 117.75 2cu8 s THR 45 Ca 0.29 0.39 0.09 0.00 0.31 0.00 0.00 61.69 62.77 2cu8 s THR 45 Cb -0.08 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 2cu8 s THR 45 CO 0.19 -0.01 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.31 2cu8 s LEU 46 N 2.85 3.11 -0.10 4.42 1.43 -1.26 -5.01 118.68 124.13 2cu8 s LEU 46 Ca 0.76 -0.59 -0.13 0.00 -1.03 0.00 0.00 54.13 53.15 2cu8 s LEU 46 Cb -0.41 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 2cu8 s LEU 46 CO 0.33 0.06 0.30 -0.89 0.23 0.00 0.00 176.35 176.38 2cu8 s THR 47 N -1.98 5.26 -0.81 5.49 2.01 -1.26 -4.95 115.64 119.39 2cu8 s THR 47 Ca 0.28 0.58 -0.25 0.00 0.31 0.00 0.00 61.69 62.61 2cu8 s THR 47 Cb -0.08 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 2cu8 s THR 47 CO 0.18 0.49 1.93 -2.16 -0.69 0.00 0.00 174.62 174.36 2cu8 s PRO 48 N -0.30 2.57 0.00 4.92 0.04 -1.26 -3.27 135.00 137.69 2cu8 s PRO 48 Ca 0.19 -0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.22 2cu8 s PRO 48 Cb -0.14 -4.86 0.00 0.00 0.04 0.00 0.00 34.50 29.55 2cu8 s PRO 48 CO 0.07 -3.19 0.00 0.41 0.04 0.00 0.00 177.00 174.33 2cu8 n GLY 49 N 6.50 0.96 0.00 0.56 0.00 -1.26 -4.70 105.19 107.25 2cu8 n GLY 49 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.21 3.47 -0.02 0.00 -1.20 -4.94 105.19 102.28 2cu8 n GLY 50 Ca 0.00 0.09 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 0.28 0.27 1.61 -3.43 -1.26 -4.78 115.29 107.98 2cu8 s HIS 51 Ca 0.00 -0.63 -0.04 0.00 -0.80 0.00 0.00 55.06 53.58 2cu8 s HIS 51 Cb 0.00 0.13 -0.05 0.00 -1.43 0.00 0.00 32.58 31.23 2cu8 s HIS 51 CO 0.00 -0.86 0.53 0.00 -2.00 0.00 0.00 174.74 172.41 2cu8 s ALA 52 N -3.97 3.66 -0.03 -1.38 0.00 -1.01 -4.96 121.76 114.06 2cu8 s ALA 52 Ca 0.18 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.55 2cu8 s ALA 52 Cb 0.01 -2.25 0.01 0.00 0.00 0.00 0.00 23.12 20.89 2cu8 s ALA 52 CO 0.03 0.27 -0.07 -1.83 0.00 0.00 0.00 175.76 174.16 2cu8 s GLU 53 N -3.52 0.93 -0.09 0.00 -1.05 -1.26 -0.17 118.70 113.55 2cu8 s GLU 53 Ca 0.43 -0.23 -0.04 0.00 -0.15 0.00 0.00 54.97 54.98 2cu8 s GLU 53 Cb -0.11 -0.88 0.05 0.00 -0.44 0.00 0.00 34.13 32.76 2cu8 s GLU 53 CO 0.30 0.04 0.18 -1.58 0.95 0.00 0.00 175.26 175.15 2cu8 s HIS 54 N 0.45 -0.22 -1.42 4.83 2.46 -0.16 -4.84 115.29 116.39 2cu8 s HIS 54 Ca -0.07 0.68 0.00 0.00 0.47 0.00 0.00 55.06 56.14 2cu8 s HIS 54 Cb -0.11 -0.21 0.00 0.00 -0.13 0.00 0.00 32.58 32.13 2cu8 s HIS 54 CO 0.01 -0.28 0.00 -3.47 -2.47 0.00 0.00 174.74 168.52 2cu8 n ASP 55 N 5.29 -4.69 0.00 9.88 -0.08 -1.26 -2.06 116.55 123.63 2cu8 n ASP 55 Ca -0.06 0.12 0.00 0.00 -1.51 0.00 0.00 54.79 53.35 2cu8 n ASP 55 Cb 0.50 -3.72 0.00 0.00 2.34 0.00 0.00 41.12 40.24 2cu8 n ASP 55 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2cu8 n GLY 56 N -1.05 2.94 3.74 0.27 0.00 -1.26 -5.01 105.19 104.82 2cu8 n GLY 56 Ca -0.17 0.00 -0.38 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 -0.19 4.30 0.56 1.61 -0.14 -0.88 -4.84 119.74 120.16 2cu8 s LYS 57 Ca 0.00 0.51 -0.19 0.00 -1.36 0.00 0.00 55.97 54.93 2cu8 s LYS 57 Cb 0.00 -3.40 -0.05 0.00 -1.68 0.00 0.00 37.83 32.70 2cu8 s LYS 57 CO 0.00 0.24 1.12 -1.25 -0.76 0.00 0.00 175.35 174.71 2cu8 s PRO 58 N 0.32 3.27 -0.21 -1.68 0.04 -1.26 -0.98 135.00 134.49 2cu8 s PRO 58 Ca 0.27 1.57 -0.14 0.00 0.04 0.00 0.00 61.00 62.74 2cu8 s PRO 58 Cb -0.16 -2.00 0.06 0.00 0.04 0.00 0.00 34.50 32.45 2cu8 s PRO 58 CO 0.12 -0.91 0.52 -0.06 0.04 0.00 0.00 177.00 176.71 2cu8 s PHE 59 N -1.88 -0.73 0.91 0.56 0.08 0.77 -3.29 117.98 114.39 2cu8 s PHE 59 Ca 0.72 1.57 -0.13 0.00 0.12 0.00 0.00 56.93 59.21 2cu8 s PHE 59 Cb -0.23 0.36 0.02 0.00 -0.57 0.00 0.00 43.02 42.60 2cu8 s PHE 59 CO 0.29 -0.38 0.44 0.00 -0.10 0.00 0.00 175.22 175.47 2cu8 h HIS 61 N -1.34 0.96 0.00 0.00 3.86 -1.94 0.72 115.15 117.42 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 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 29.48 2cu8 h HIS 61 CO 0.38 0.26 0.00 0.36 0.86 0.00 0.00 177.93 179.79 2cu8 n LYS 62 N -4.78 0.00 0.21 2.45 2.85 -1.26 -2.14 118.16 115.48 2cu8 n LYS 62 Ca 0.20 0.00 0.15 0.00 -1.05 0.00 0.00 58.31 57.61 2cu8 n LYS 62 Cb 0.47 0.00 0.61 0.00 -0.65 0.00 0.00 35.03 35.46 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 -3.46 132.00 125.10 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 -0.53 -0.37 0.00 3.20 -0.93 -3.06 116.97 115.28 2cu8 h TYR 65 Ca 0.00 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.89 2cu8 h TYR 65 Cb 0.00 0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.40 2cu8 h TYR 65 CO -0.15 -0.23 -0.22 0.00 -1.64 0.00 0.00 178.16 175.92 2cu8 n ALA 66 N -2.46 -0.24 -0.04 1.82 0.00 -0.74 -1.15 120.51 117.69 2cu8 n ALA 66 Ca -0.11 0.32 -0.05 0.00 0.00 0.00 0.00 53.44 53.60 2cu8 n ALA 66 Cb 0.28 0.17 -0.04 0.00 0.00 0.00 0.00 19.45 19.87 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 -0.87 0.00 2.02 0.21 -1.14 112.91 113.14 2cu8 h THR 67 Ca 0.06 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.45 2cu8 h THR 67 Cb 0.15 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.40 2cu8 h THR 67 CO -0.35 0.00 -0.09 0.18 0.37 0.00 0.00 175.52 175.62 2cu8 n LEU 68 N -3.66 -0.20 -4.25 2.58 4.77 -0.62 -2.34 117.00 113.27 2cu8 n LEU 68 Ca -0.01 1.48 -0.43 0.00 -0.03 0.00 0.00 56.01 57.02 2cu8 n LEU 68 Cb 0.13 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.69 2cu8 n LEU 68 CO 0.01 -1.47 0.46 -0.36 -1.33 0.00 0.00 177.39 174.70 2cu8 s PHE 69 N -5.96 3.90 -0.30 -1.77 0.40 -0.30 -4.94 117.98 109.01 2cu8 s PHE 69 Ca -0.12 -2.54 -0.15 0.00 -0.60 0.00 0.00 56.93 53.52 2cu8 s PHE 69 Cb 0.25 -3.61 0.18 0.00 0.51 0.00 0.00 43.02 40.34 2cu8 s PHE 69 CO 0.68 -0.90 1.11 0.20 0.70 0.00 0.00 175.22 177.01 2cu8 s GLY 70 N 1.19 -0.20 0.32 4.36 0.00 -0.99 -4.74 107.32 107.27 2cu8 s GLY 70 Ca 0.24 2.99 0.09 0.00 0.00 0.00 0.00 44.72 48.04 2cu8 s GLY 70 CO -0.08 3.74 0.03 -0.56 0.00 0.00 0.00 173.10 176.23 2cu8 s SER 71 N 2.81 4.36 0.00 1.64 0.01 -1.26 -5.00 113.70 116.25 2cu8 s SER 71 Ca -0.03 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.37 2cu8 s SER 71 Cb -0.08 -0.64 0.00 0.00 0.21 0.00 0.00 66.02 65.51 2cu8 s SER 71 CO -0.11 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 173.96 2cu8 n GLY 72 N -0.98 -0.10 3.74 3.44 0.00 -1.26 -5.14 105.19 104.89 2cu8 n GLY 72 Ca -0.04 0.55 -0.41 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 4.41 -0.72 1.61 0.04 -1.26 -4.83 135.00 134.25 2cu8 s PRO 73 Ca 0.00 2.04 -0.32 0.00 0.04 0.00 0.00 61.00 62.77 2cu8 s PRO 73 Cb 0.00 -3.19 -0.19 0.00 0.04 0.00 0.00 34.50 31.17 2cu8 s PRO 73 CO 0.00 -0.21 2.21 -1.13 0.04 0.00 0.00 177.00 177.91 2cu8 n SER 74 N 2.40 0.40 -4.76 6.66 3.41 -1.26 -4.85 113.62 115.62 2cu8 n SER 74 Ca 0.05 0.32 -0.31 0.00 -0.26 0.00 0.00 58.87 58.68 2cu8 n SER 74 Cb 0.43 -0.81 0.10 0.00 -0.26 0.00 0.00 64.21 63.67 2cu8 n SER 74 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cu8 s SER 75 N 7.00 4.34 0.00 4.04 0.01 -1.26 -5.31 113.70 122.51 2cu8 s SER 75 Ca 1.15 1.68 0.00 0.00 1.31 0.00 0.00 55.95 60.09 2cu8 s SER 75 Cb -1.19 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 62.64 2cu8 s SER 75 CO 0.49 -2.12 0.00 0.61 0.41 0.00 0.00 173.24 172.63