#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cu8 n SER 2 N 0.00 -4.88 -4.22 1.61 7.64 -1.26 -4.98 113.62 107.53 2cu8 n SER 2 Ca 0.00 -0.50 -0.38 0.00 1.01 0.00 0.00 58.87 59.00 2cu8 n SER 2 Cb 0.00 -4.59 -0.11 0.00 -1.01 0.00 0.00 64.21 58.49 2cu8 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cu8 s SER 3 N -3.54 5.36 0.00 6.43 0.01 -1.26 -5.01 113.70 115.69 2cu8 s SER 3 Ca 0.38 -1.51 0.00 0.00 1.31 0.00 0.00 55.95 56.13 2cu8 s SER 3 Cb -0.17 -1.88 0.00 0.00 0.21 0.00 0.00 66.02 64.18 2cu8 s SER 3 CO 0.65 -0.45 0.00 0.61 0.41 0.00 0.00 173.24 174.47 2cu8 n GLY 4 N 4.77 -0.70 3.92 3.44 0.00 -1.26 -5.16 105.19 110.19 2cu8 n GLY 4 Ca -0.09 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 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 -4.00 6.29 -0.15 1.61 1.04 -1.26 -5.03 113.70 112.20 2cu8 s SER 5 Ca 0.00 0.22 -0.06 0.00 0.48 0.00 0.00 55.95 56.59 2cu8 s SER 5 Cb 0.00 -1.91 -0.07 0.00 0.10 0.00 0.00 66.02 64.14 2cu8 s SER 5 CO 0.00 0.14 -0.19 -1.20 0.98 0.00 0.00 173.24 172.97 2cu8 n SER 6 N 0.08 1.45 0.00 7.02 7.64 -1.26 -5.12 113.62 123.42 2cu8 n SER 6 Ca -0.06 0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.96 2cu8 n SER 6 Cb 0.52 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 2cu8 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cu8 n GLY 7 N 2.17 1.25 2.43 0.23 0.00 -1.26 -4.98 105.19 105.04 2cu8 n GLY 7 Ca -0.30 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 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 1.64 2.79 -1.79 1.61 0.00 -1.26 -5.02 117.12 115.10 2cu8 n MET 8 Ca 0.00 -3.44 -0.36 0.00 -0.00 0.00 0.00 57.70 53.91 2cu8 n MET 8 Cb 0.00 -2.28 0.06 0.00 0.00 0.00 0.00 33.22 30.99 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 -3.86 2.39 0.55 -5.12 0.00 -1.26 -4.93 121.76 109.53 2cu8 s ALA 9 Ca 0.61 1.05 -0.20 0.00 0.00 0.00 0.00 51.96 53.42 2cu8 s ALA 9 Cb 0.48 -3.49 -0.07 0.00 0.00 0.00 0.00 23.12 20.05 2cu8 s ALA 9 CO -0.10 -1.47 0.90 0.43 0.00 0.00 0.00 175.76 175.53 2cu8 n SER 10 N -1.95 0.60 -4.57 0.00 7.64 -1.26 -4.63 113.62 109.45 2cu8 n SER 10 Ca 0.14 0.85 -0.28 0.00 1.01 0.00 0.00 58.87 60.59 2cu8 n SER 10 Cb 0.49 -1.35 0.13 0.00 -1.01 0.00 0.00 64.21 62.47 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 -2.46 1.44 -0.20 1.43 1.02 -1.26 -1.92 119.74 117.79 2cu8 s LYS 11 Ca 0.71 -0.29 -0.06 0.00 0.02 0.00 0.00 55.97 56.35 2cu8 s LYS 11 Cb -0.45 -1.99 -0.03 0.00 -0.52 0.00 0.00 37.83 34.84 2cu8 s LYS 11 CO 0.51 -1.85 0.03 0.00 -0.92 0.00 0.00 175.35 173.12 2cu8 n PRO 13 N 4.06 0.49 -0.05 0.00 -0.04 -1.26 0.16 135.00 138.35 2cu8 n PRO 13 Ca -0.17 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.18 2cu8 n PRO 13 Cb 0.52 -1.12 -0.04 0.00 -0.04 0.00 0.00 33.50 32.82 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 -0.62 0.26 -0.11 0.54 3.00 -1.26 -4.76 118.16 115.20 2cu8 n LYS 14 Ca 0.03 0.11 0.04 0.00 -0.00 0.00 0.00 58.31 58.50 2cu8 n LYS 14 Cb 0.01 -0.94 0.10 0.00 0.00 0.00 0.00 35.03 34.20 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 -0.39 -2.28 -4.65 0.00 2.03 0.42 -4.89 116.55 106.80 2cu8 n ASP 16 Ca 0.09 -1.11 -0.23 0.00 0.52 0.00 0.00 54.79 54.06 2cu8 n ASP 16 Cb 0.44 -2.34 -0.07 0.00 -0.72 0.00 0.00 41.12 38.43 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 -7.04 2.23 -0.80 -0.67 1.02 -1.24 -4.64 119.74 108.60 2cu8 s LYS 17 Ca 0.65 -1.52 -0.26 0.00 0.02 0.00 0.00 55.97 54.86 2cu8 s LYS 17 Cb -0.37 -2.09 0.02 0.00 -0.52 0.00 0.00 37.83 34.87 2cu8 s LYS 17 CO 0.96 0.28 1.48 0.99 -0.92 0.00 0.00 175.35 178.14 2cu8 s THR 18 N -2.39 3.68 0.17 2.17 2.01 -1.26 0.14 115.64 120.16 2cu8 s THR 18 Ca 0.33 0.02 -0.34 0.00 0.31 0.00 0.00 61.69 62.01 2cu8 s THR 18 Cb -0.04 -4.70 -0.14 0.00 0.01 0.00 0.00 72.50 67.62 2cu8 s THR 18 CO 0.20 -1.63 1.53 0.52 -0.69 0.00 0.00 174.62 174.54 2cu8 n VAL 19 N 6.78 0.18 -1.80 3.82 0.31 -0.81 -4.97 118.33 121.85 2cu8 n VAL 19 Ca 0.17 -0.05 -0.30 0.00 -0.01 0.00 0.00 64.34 64.16 2cu8 n VAL 19 Cb 0.50 -1.47 0.08 0.00 -0.91 0.00 0.00 33.84 32.04 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 0.69 3.03 -0.08 3.52 1.51 -1.26 -4.66 117.35 120.10 2cu8 s TYR 20 Ca 0.77 0.94 0.13 0.00 -1.01 0.00 0.00 57.07 57.90 2cu8 s TYR 20 Cb -0.70 -3.26 -0.01 0.00 -0.11 0.00 0.00 41.96 37.89 2cu8 s TYR 20 CO 0.41 -1.60 1.40 0.35 -1.11 0.00 0.00 175.55 174.99 2cu8 h PHE 21 N -0.95 0.00 -0.05 2.71 3.04 -1.96 -1.99 116.94 117.74 2cu8 h PHE 21 Ca -0.46 0.00 -0.12 0.00 3.98 0.00 0.00 57.97 61.37 2cu8 h PHE 21 Cb 1.29 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.81 2cu8 h PHE 21 CO 0.41 0.64 -0.43 0.00 -2.02 0.00 0.00 178.31 176.91 2cu8 h ALA 22 N 1.36 0.12 -0.54 2.41 0.00 -2.02 -3.23 119.26 117.35 2cu8 h ALA 22 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2cu8 h ALA 22 Cb 1.49 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2cu8 h ALA 22 CO 0.08 0.27 0.00 0.39 0.00 0.00 0.00 179.25 179.99 2cu8 n GLU 23 N -4.33 4.09 -2.02 0.00 1.02 -1.25 -4.94 120.64 113.21 2cu8 n GLU 23 Ca -0.09 -2.72 -0.43 0.00 -0.02 0.00 0.00 57.16 53.90 2cu8 n GLU 23 Cb 0.57 -2.05 -0.03 0.00 -0.02 0.00 0.00 31.44 29.92 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 -2.27 3.90 -0.19 3.49 2.20 -0.75 -4.39 119.74 121.74 2cu8 s LYS 24 Ca 0.48 1.92 -0.01 0.00 -0.36 0.00 0.00 55.97 58.00 2cu8 s LYS 24 Cb 0.34 -4.05 0.05 0.00 -1.51 0.00 0.00 37.83 32.66 2cu8 s LYS 24 CO 0.17 -1.17 -0.03 0.54 -0.36 0.00 0.00 175.35 174.50 2cu8 s VAL 25 N 4.97 1.09 0.57 4.02 0.11 -1.22 -5.04 120.40 124.91 2cu8 s VAL 25 Ca 0.75 -0.75 -0.16 0.00 -2.93 0.00 0.00 61.98 58.88 2cu8 s VAL 25 Cb -0.29 -1.35 -0.05 0.00 -1.53 0.00 0.00 36.38 33.16 2cu8 s VAL 25 CO 0.30 0.01 1.04 -0.94 -3.33 0.00 0.00 175.10 172.18 2cu8 s SER 26 N 1.62 5.96 -0.30 3.54 1.04 -1.26 -2.28 113.70 122.02 2cu8 s SER 26 Ca -0.01 1.78 -0.17 0.00 0.48 0.00 0.00 55.95 58.02 2cu8 s SER 26 Cb -0.16 -2.53 0.18 0.00 0.10 0.00 0.00 66.02 63.61 2cu8 s SER 26 CO -0.07 -1.04 1.16 -0.55 0.98 0.00 0.00 173.24 173.72 2cu8 s SER 27 N -2.79 -0.28 -1.46 7.02 0.15 -0.61 -4.55 113.70 111.19 2cu8 s SER 27 Ca 0.63 0.38 -0.09 0.00 0.70 0.00 0.00 55.95 57.57 2cu8 s SER 27 Cb -0.15 1.32 0.04 0.00 -1.71 0.00 0.00 66.02 65.52 2cu8 s SER 27 CO 0.35 -0.05 0.75 0.18 1.20 0.00 0.00 173.24 175.67 2cu8 n LEU 28 N 4.76 -2.46 -2.60 3.45 4.32 -1.26 -1.71 117.00 121.49 2cu8 n LEU 28 Ca -0.07 -0.46 -0.15 0.00 -0.02 0.00 0.00 56.01 55.30 2cu8 n LEU 28 Cb 0.54 -2.67 0.06 0.00 -1.62 0.00 0.00 43.42 39.73 2cu8 n LEU 28 CO -0.05 0.33 0.15 0.61 -1.22 0.00 0.00 177.39 177.21 2cu8 n GLY 29 N -1.55 -0.07 3.32 -0.72 0.00 -1.26 -5.03 105.19 99.89 2cu8 n GLY 29 Ca -0.03 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 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 -5.69 1.10 -0.33 1.61 1.02 -0.69 -5.14 119.74 111.61 2cu8 s LYS 30 Ca 0.32 -1.05 -0.04 0.00 0.02 0.00 0.00 55.97 55.22 2cu8 s LYS 30 Cb -0.14 0.39 0.05 0.00 -0.52 0.00 0.00 37.83 37.61 2cu8 s LYS 30 CO 0.49 -0.40 0.07 -0.51 -0.92 0.00 0.00 175.35 174.08 2cu8 s ASP 31 N -2.92 5.15 0.26 2.83 1.11 -1.26 -1.57 116.67 120.27 2cu8 s ASP 31 Ca 0.12 -1.21 0.01 0.00 0.18 0.00 0.00 52.55 51.65 2cu8 s ASP 31 Cb 0.03 -1.81 0.01 0.00 1.07 0.00 0.00 42.92 42.23 2cu8 s ASP 31 CO -0.04 -0.31 0.09 0.79 1.18 0.00 0.00 175.17 176.88 2cu8 n TRP 32 N 4.73 -0.12 -3.34 4.23 7.02 -0.97 -4.31 117.44 124.69 2cu8 n TRP 32 Ca -0.12 -1.20 -0.10 0.00 -1.02 0.00 0.00 57.50 55.05 2cu8 n TRP 32 Cb 0.44 -0.19 0.02 0.00 -2.42 0.00 0.00 31.31 29.16 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 -0.85 -1.90 -0.06 -5.99 8.25 -1.26 -3.39 115.22 110.02 2cu8 n HIS 33 Ca -0.06 -1.01 -0.16 0.00 -0.26 0.00 0.00 57.72 56.22 2cu8 n HIS 33 Cb 0.31 -0.23 -0.13 0.00 1.12 0.00 0.00 29.99 31.07 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 0.04 -0.92 -0.41 1.79 -1.97 -3.32 116.57 111.79 2cu8 h LYS 34 Ca -0.14 -0.07 -0.22 0.00 -2.18 0.00 0.00 60.65 58.04 2cu8 h LYS 34 Cb 0.57 0.03 -0.13 0.00 -1.58 0.00 0.00 32.23 31.12 2cu8 h LYS 34 CO 0.21 1.03 0.28 1.19 -1.08 0.00 0.00 179.45 181.09 2cu8 n PHE 35 N -4.50 1.73 -0.02 -1.35 3.01 -1.26 -3.87 117.46 111.21 2cu8 n PHE 35 Ca -0.15 -1.06 -0.02 0.00 1.01 0.00 0.00 57.45 57.23 2cu8 n PHE 35 Cb 0.57 -0.58 -0.03 0.00 -0.01 0.00 0.00 39.48 39.43 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 -2.14 4.34 -4.11 0.00 7.94 -1.25 -4.78 117.00 117.00 2cu8 n LEU 37 Ca -0.06 -2.69 -0.33 0.00 -1.11 0.00 0.00 56.01 51.82 2cu8 n LEU 37 Cb 0.62 -1.13 -0.16 0.00 0.53 0.00 0.00 43.42 43.27 2cu8 n LEU 37 CO 0.07 1.24 -0.53 -0.54 -1.11 0.00 0.00 177.39 176.53 2cu8 s LYS 38 N 1.54 2.93 0.38 1.96 -0.14 -1.26 -3.63 119.74 121.51 2cu8 s LYS 38 Ca 0.53 -0.82 -0.14 0.00 -1.36 0.00 0.00 55.97 54.18 2cu8 s LYS 38 Cb 0.24 -2.54 -0.11 0.00 -1.68 0.00 0.00 37.83 33.74 2cu8 s LYS 38 CO -0.00 -0.22 -0.09 0.00 -0.76 0.00 0.00 175.35 174.28 2cu8 n GLU 40 N 1.13 0.07 -0.10 0.00 2.13 -1.21 -2.88 120.64 119.77 2cu8 n GLU 40 Ca 0.06 -0.01 -0.14 0.00 0.66 0.00 0.00 57.16 57.73 2cu8 n GLU 40 Cb 0.35 -1.50 -0.05 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 -1.55 0.54 0.01 5.31 0.63 -1.26 -4.70 116.66 115.63 2cu8 n ARG 41 Ca 0.03 0.22 0.11 0.00 -0.92 0.00 0.00 57.85 57.29 2cu8 n ARG 41 Cb 0.34 -1.43 -0.12 0.00 0.45 0.00 0.00 32.46 31.70 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 -2.12 -1.36 -4.43 0.00 7.64 -1.14 -4.97 113.62 107.23 2cu8 n SER 43 Ca -0.01 -0.87 -0.33 0.00 1.01 0.00 0.00 58.87 58.66 2cu8 n SER 43 Cb 0.51 -3.80 -0.13 0.00 -1.01 0.00 0.00 64.21 59.77 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 -6.07 3.53 -0.20 1.43 2.20 -1.26 -4.78 119.74 114.59 2cu8 s LYS 44 Ca 0.04 -0.60 -0.30 0.00 -0.36 0.00 0.00 55.97 54.75 2cu8 s LYS 44 Cb -0.01 -2.79 -0.14 0.00 -1.51 0.00 0.00 37.83 33.38 2cu8 s LYS 44 CO 0.83 0.21 0.95 2.41 -0.36 0.00 0.00 175.35 179.40 2cu8 n THR 45 N 3.57 0.00 -3.97 3.43 -1.04 -1.26 -4.07 114.28 110.93 2cu8 n THR 45 Ca -0.18 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.59 2cu8 n THR 45 Cb 0.53 -0.20 -0.05 0.00 -1.82 0.00 0.00 70.33 68.78 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 1.21 3.06 -0.13 -4.42 1.43 -1.24 -4.99 118.68 113.59 2cu8 s LEU 46 Ca 0.68 -1.06 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 2cu8 s LEU 46 Cb -0.97 -1.50 -0.01 0.00 0.03 0.00 0.00 46.19 43.75 2cu8 s LEU 46 CO 0.49 -0.70 -0.15 -0.89 0.23 0.00 0.00 176.35 175.33 2cu8 s THR 47 N -2.62 2.78 -0.86 5.49 2.01 -1.26 -5.01 115.64 116.16 2cu8 s THR 47 Ca 0.40 -0.75 -0.25 0.00 0.31 0.00 0.00 61.69 61.40 2cu8 s THR 47 Cb 0.01 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 2cu8 s THR 47 CO 0.23 0.53 1.94 -2.16 -0.69 0.00 0.00 174.62 174.46 2cu8 s PRO 48 N 0.50 2.56 0.00 4.92 0.04 -1.26 -3.30 135.00 138.46 2cu8 s PRO 48 Ca -0.10 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 60.78 2cu8 s PRO 48 Cb -0.16 -4.97 0.00 0.00 0.04 0.00 0.00 34.50 29.41 2cu8 s PRO 48 CO 0.04 -3.29 0.00 0.41 0.04 0.00 0.00 177.00 174.21 2cu8 n GLY 49 N 6.69 0.48 0.00 0.56 0.00 -1.26 -4.83 105.19 106.83 2cu8 n GLY 49 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.12 3.29 -0.02 0.00 -1.21 -5.05 105.19 102.08 2cu8 n GLY 50 Ca 0.00 0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 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 0.34 0.26 1.61 -3.43 -1.26 -4.84 115.29 107.96 2cu8 s HIS 51 Ca 0.00 -0.72 -0.03 0.00 -0.80 0.00 0.00 55.06 53.50 2cu8 s HIS 51 Cb 0.00 -0.07 -0.05 0.00 -1.43 0.00 0.00 32.58 31.03 2cu8 s HIS 51 CO 0.00 -0.66 0.50 0.00 -2.00 0.00 0.00 174.74 172.58 2cu8 s ALA 52 N -3.94 3.69 -0.01 -1.38 0.00 -1.13 -4.98 121.76 114.01 2cu8 s ALA 52 Ca 0.14 -0.65 0.04 0.00 0.00 0.00 0.00 51.96 51.48 2cu8 s ALA 52 Cb 0.04 -2.19 -0.01 0.00 0.00 0.00 0.00 23.12 20.95 2cu8 s ALA 52 CO -0.03 0.31 -0.13 -1.83 0.00 0.00 0.00 175.76 174.07 2cu8 s GLU 53 N -3.47 1.08 -0.05 0.00 -1.05 -1.26 -0.75 118.70 113.19 2cu8 s GLU 53 Ca 0.42 -0.49 -0.02 0.00 -0.15 0.00 0.00 54.97 54.74 2cu8 s GLU 53 Cb -0.11 -1.04 0.04 0.00 -0.44 0.00 0.00 34.13 32.57 2cu8 s GLU 53 CO 0.30 0.29 0.10 -1.58 0.95 0.00 0.00 175.26 175.31 2cu8 s HIS 54 N -0.33 -0.09 -0.96 4.83 2.46 0.12 -4.85 115.29 116.47 2cu8 s HIS 54 Ca 0.05 0.34 -0.06 0.00 0.47 0.00 0.00 55.06 55.86 2cu8 s HIS 54 Cb -0.05 -0.14 0.05 0.00 -0.13 0.00 0.00 32.58 32.31 2cu8 s HIS 54 CO -0.00 -0.14 0.26 -0.40 -2.47 0.00 0.00 174.74 171.99 2cu8 n ASP 55 N 4.20 -2.88 0.00 9.88 5.75 -1.26 0.12 116.55 132.36 2cu8 n ASP 55 Ca -0.27 -0.11 0.00 0.00 -0.01 0.00 0.00 54.79 54.40 2cu8 n ASP 55 Cb 0.51 -2.46 0.00 0.00 -1.03 0.00 0.00 41.12 38.14 2cu8 n ASP 55 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2cu8 n GLY 56 N -0.90 2.92 3.71 6.12 0.00 -1.26 -5.00 105.19 110.77 2cu8 n GLY 56 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.17 4.34 0.75 1.61 3.01 0.34 -4.83 119.74 124.78 2cu8 s LYS 57 Ca 0.00 0.55 -0.11 0.00 -1.01 0.00 0.00 55.97 55.39 2cu8 s LYS 57 Cb 0.00 -3.46 0.05 0.00 -1.01 0.00 0.00 37.83 33.41 2cu8 s LYS 57 CO 0.00 0.08 1.10 -1.25 0.51 0.00 0.00 175.35 175.79 2cu8 s PRO 58 N 0.84 2.36 -0.28 -1.68 0.04 -1.26 0.11 135.00 135.13 2cu8 s PRO 58 Ca 0.28 1.22 -0.17 0.00 0.04 0.00 0.00 61.00 62.38 2cu8 s PRO 58 Cb -0.16 -1.91 0.10 0.00 0.04 0.00 0.00 34.50 32.58 2cu8 s PRO 58 CO 0.12 -1.57 0.79 -0.06 0.04 0.00 0.00 177.00 176.32 2cu8 s PHE 59 N -2.78 -0.89 0.78 0.56 0.08 0.07 -3.31 117.98 112.47 2cu8 s PHE 59 Ca 0.62 1.80 -0.16 0.00 0.12 0.00 0.00 56.93 59.31 2cu8 s PHE 59 Cb -0.18 0.53 -0.07 0.00 -0.57 0.00 0.00 43.02 42.73 2cu8 s PHE 59 CO 0.53 -0.44 0.09 0.00 -0.10 0.00 0.00 175.22 175.30 2cu8 h HIS 61 N -0.61 0.19 0.00 0.00 3.86 -1.92 -1.05 115.15 115.61 2cu8 h HIS 61 Ca -0.44 0.05 0.00 0.00 -1.16 0.00 0.00 60.37 58.82 2cu8 h HIS 61 Cb 1.35 0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.86 2cu8 h HIS 61 CO 0.30 -0.19 0.00 0.36 0.86 0.00 0.00 177.93 179.26 2cu8 n LYS 62 N -5.25 0.00 0.12 2.45 2.85 -1.26 -3.51 118.16 113.56 2cu8 n LYS 62 Ca 0.17 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.54 2cu8 n LYS 62 Cb 0.56 0.00 0.47 0.00 -0.65 0.00 0.00 35.03 35.41 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 -0.11 0.17 0.00 -1.58 -0.04 -1.26 -4.86 135.00 127.32 2cu8 n PRO 63 Ca 0.00 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 2cu8 n PRO 63 Cb 0.00 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 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 -0.25 -0.45 0.00 3.20 -1.29 -3.13 116.97 115.05 2cu8 h TYR 65 Ca 0.00 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.92 2cu8 h TYR 65 Cb 0.00 0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.32 2cu8 h TYR 65 CO -0.17 -0.15 -0.27 0.00 -1.64 0.00 0.00 178.16 175.93 2cu8 h ALA 66 N 0.74 -0.25 -1.05 1.82 0.00 -0.98 1.31 119.26 120.85 2cu8 h ALA 66 Ca 0.02 0.05 0.30 0.00 0.00 0.00 0.00 54.91 55.29 2cu8 h ALA 66 Cb 0.22 1.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 2cu8 h ALA 66 CO -0.07 -0.44 1.02 0.00 0.00 0.00 0.00 179.25 179.76 2cu8 h THR 67 N -0.00 0.14 0.15 0.00 1.03 -0.00 0.71 112.91 114.93 2cu8 h THR 67 Ca 0.07 0.00 -0.36 0.00 -0.01 0.00 0.00 66.41 66.11 2cu8 h THR 67 Cb 0.19 0.21 -0.01 0.00 -1.07 0.00 0.00 68.15 67.47 2cu8 h THR 67 CO -0.43 0.00 -1.90 -0.07 -0.01 0.00 0.00 175.52 173.12 2cu8 h LEU 68 N 0.00 0.48 -7.22 0.00 3.38 0.14 -3.42 115.31 108.67 2cu8 h LEU 68 Ca 0.50 -0.93 -0.63 0.00 0.09 0.00 0.00 57.88 56.91 2cu8 h LEU 68 Cb 2.54 -0.16 -0.41 0.00 0.09 0.00 0.00 40.66 42.72 2cu8 h LEU 68 CO -0.01 1.81 -0.61 -0.36 0.09 0.00 0.00 178.44 179.37 2cu8 s PHE 69 N -2.57 3.32 0.00 1.13 0.40 0.24 -4.96 117.98 115.54 2cu8 s PHE 69 Ca -0.19 -3.23 0.00 0.00 -0.60 0.00 0.00 56.93 52.90 2cu8 s PHE 69 Cb 0.06 -2.73 0.00 0.00 0.51 0.00 0.00 43.02 40.87 2cu8 s PHE 69 CO 0.80 -0.65 0.00 0.41 0.70 0.00 0.00 175.22 176.49 2cu8 n GLY 70 N 2.56 1.44 3.48 4.36 0.00 -1.03 -4.56 105.19 111.45 2cu8 n GLY 70 Ca 0.12 0.34 -0.44 0.00 0.00 0.00 0.00 46.02 46.04 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 2.00 6.99 0.61 1.61 0.01 -1.26 -5.01 113.70 118.65 2cu8 s SER 71 Ca 0.00 -2.80 -0.19 0.00 1.31 0.00 0.00 55.95 54.26 2cu8 s SER 71 Cb 0.00 -2.43 -0.03 0.00 0.21 0.00 0.00 66.02 63.77 2cu8 s SER 71 CO 0.00 -0.86 1.29 0.61 0.41 0.00 0.00 173.24 174.69 2cu8 n GLY 72 N 4.48 0.56 3.56 3.44 0.00 -1.26 -4.85 105.19 111.12 2cu8 n GLY 72 Ca 0.38 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.14 2.54 -0.38 1.61 0.04 -1.26 -4.94 135.00 129.48 2cu8 s PRO 73 Ca 0.78 -0.41 -0.27 0.00 0.04 0.00 0.00 61.00 61.15 2cu8 s PRO 73 Cb -0.40 -5.09 0.02 0.00 0.04 0.00 0.00 34.50 29.07 2cu8 s PRO 73 CO 0.44 -3.46 0.98 0.45 0.04 0.00 0.00 177.00 175.45 2cu8 s SER 74 N 7.83 6.70 -0.22 6.66 0.15 -1.26 -5.01 113.70 128.55 2cu8 s SER 74 Ca 0.70 0.61 0.01 0.00 0.70 0.00 0.00 55.95 57.97 2cu8 s SER 74 Cb -0.06 -2.49 0.05 0.00 -1.71 0.00 0.00 66.02 61.82 2cu8 s SER 74 CO 0.01 -0.93 -0.07 -0.94 1.20 0.00 0.00 173.24 172.51 2cu8 s SER 75 N 1.95 3.67 0.00 5.45 1.04 -1.26 -5.31 113.70 119.24 2cu8 s SER 75 Ca 0.41 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.78 2cu8 s SER 75 Cb -0.11 -1.20 0.00 0.00 0.10 0.00 0.00 66.02 64.81 2cu8 s SER 75 CO 0.20 -0.20 0.34 0.61 0.98 0.00 0.00 173.24 175.17