#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 0.53 0.27 1.61 0.01 -1.26 -5.15 113.70 109.71 2cu8 s SER 2 Ca 0.00 0.19 -0.21 0.00 1.31 0.00 0.00 55.95 57.25 2cu8 s SER 2 Cb 0.00 0.90 0.05 0.00 0.21 0.00 0.00 66.02 67.17 2cu8 s SER 2 CO 0.00 -0.30 0.84 -0.44 0.41 0.00 0.00 173.24 173.75 2cu8 s SER 3 N 2.48 -0.13 0.00 2.44 0.01 -1.26 -5.19 113.70 112.05 2cu8 s SER 3 Ca 0.09 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.62 2cu8 s SER 3 Cb -0.15 0.68 0.00 0.00 0.21 0.00 0.00 66.02 66.76 2cu8 s SER 3 CO -0.14 -1.30 0.00 0.61 0.41 0.00 0.00 173.24 172.82 2cu8 n GLY 4 N -0.51 2.32 3.72 3.44 0.00 -1.26 -5.14 105.19 107.76 2cu8 n GLY 4 Ca -0.06 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 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 7.06 -0.28 1.61 0.01 -1.26 -5.04 113.70 115.80 2cu8 s SER 5 Ca 0.00 1.27 -0.01 0.00 1.31 0.00 0.00 55.95 58.52 2cu8 s SER 5 Cb 0.00 -2.43 0.09 0.00 0.21 0.00 0.00 66.02 63.89 2cu8 s SER 5 CO 0.00 -0.10 0.08 -0.94 0.41 0.00 0.00 173.24 172.68 2cu8 s SER 6 N 0.65 3.81 -0.12 2.44 1.04 -1.26 -5.10 113.70 115.16 2cu8 s SER 6 Ca 0.39 -1.45 -0.05 0.00 0.48 0.00 0.00 55.95 55.31 2cu8 s SER 6 Cb -0.18 -0.83 0.05 0.00 0.10 0.00 0.00 66.02 65.16 2cu8 s SER 6 CO 0.20 -0.38 0.26 -0.83 0.98 0.00 0.00 173.24 173.47 2cu8 s GLY 7 N 1.65 -0.15 -0.43 7.32 0.00 -1.26 -5.11 107.32 109.34 2cu8 s GLY 7 Ca 0.07 1.02 0.03 0.00 0.00 0.00 0.00 44.72 45.83 2cu8 s GLY 7 CO -0.21 1.51 0.20 -0.29 0.00 0.00 0.00 173.10 174.31 2cu8 s MET 8 N 1.64 1.47 0.28 2.90 -2.45 -1.26 -5.10 119.30 116.78 2cu8 s MET 8 Ca -0.06 -2.07 0.03 0.00 -1.25 0.00 0.00 55.69 52.34 2cu8 s MET 8 Cb -0.11 -2.75 -0.06 0.00 1.25 0.00 0.00 34.83 33.16 2cu8 s MET 8 CO -0.09 -1.09 0.05 0.00 1.05 0.00 0.00 175.02 174.94 2cu8 s ALA 9 N 0.39 2.02 0.54 4.11 0.00 -1.26 -5.09 121.76 122.46 2cu8 s ALA 9 Ca 0.15 -1.92 -0.17 0.00 0.00 0.00 0.00 51.96 50.03 2cu8 s ALA 9 Cb -0.23 0.72 -0.06 0.00 0.00 0.00 0.00 23.12 23.54 2cu8 s ALA 9 CO -0.04 -0.33 1.02 -1.12 0.00 0.00 0.00 175.76 175.28 2cu8 s SER 10 N -3.38 6.28 0.63 0.00 0.01 -1.26 -4.77 113.70 111.21 2cu8 s SER 10 Ca 0.34 1.71 -0.04 0.00 1.31 0.00 0.00 55.95 59.28 2cu8 s SER 10 Cb 0.08 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.82 2cu8 s SER 10 CO 0.13 -0.83 0.91 -0.54 0.41 0.00 0.00 173.24 173.32 2cu8 s LYS 11 N -3.94 2.43 -0.19 12.44 1.02 -1.26 0.34 119.74 130.59 2cu8 s LYS 11 Ca 0.62 -0.40 -0.05 0.00 0.02 0.00 0.00 55.97 56.16 2cu8 s LYS 11 Cb -0.13 -2.30 -0.03 0.00 -0.52 0.00 0.00 37.83 34.85 2cu8 s LYS 11 CO 0.31 -0.96 -0.01 0.00 -0.92 0.00 0.00 175.35 173.77 2cu8 n PRO 13 N 4.02 0.49 -0.07 0.00 -0.04 -1.26 0.14 135.00 138.27 2cu8 n PRO 13 Ca -0.17 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.14 2cu8 n PRO 13 Cb 0.52 -1.19 -0.05 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.35 -0.17 0.54 3.00 -1.26 -4.73 118.16 115.20 2cu8 n LYS 14 Ca 0.04 0.15 0.05 0.00 -0.00 0.00 0.00 58.31 58.56 2cu8 n LYS 14 Cb 0.02 -1.10 0.13 0.00 0.00 0.00 0.00 35.03 34.09 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 -0.25 0.21 -4.43 0.00 -0.08 0.37 -4.90 116.55 107.46 2cu8 n ASP 16 Ca 0.11 -1.27 -0.26 0.00 -1.51 0.00 0.00 54.79 51.86 2cu8 n ASP 16 Cb 0.51 -1.60 -0.11 0.00 2.34 0.00 0.00 41.12 42.25 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 -7.35 1.55 -0.83 -0.67 -0.14 -1.24 -4.73 119.74 106.33 2cu8 s LYS 17 Ca 0.22 -1.58 -0.25 0.00 -1.36 0.00 0.00 55.97 53.01 2cu8 s LYS 17 Cb -0.13 -1.83 -0.05 0.00 -1.68 0.00 0.00 37.83 34.14 2cu8 s LYS 17 CO 1.01 0.39 1.98 0.99 -0.76 0.00 0.00 175.35 178.95 2cu8 s THR 18 N -1.84 3.38 0.16 2.17 2.01 -1.26 0.00 115.64 120.26 2cu8 s THR 18 Ca 0.23 -0.22 -0.34 0.00 0.31 0.00 0.00 61.69 61.67 2cu8 s THR 18 Cb -0.07 -3.89 -0.15 0.00 0.01 0.00 0.00 72.50 68.40 2cu8 s THR 18 CO 0.11 -0.84 1.39 0.52 -0.69 0.00 0.00 174.62 175.11 2cu8 n VAL 19 N 7.83 0.38 -3.00 3.82 0.31 0.15 -4.92 118.33 122.90 2cu8 n VAL 19 Ca 0.37 -0.10 -0.41 0.00 -0.01 0.00 0.00 64.34 64.20 2cu8 n VAL 19 Cb 0.48 -1.17 -0.05 0.00 -0.91 0.00 0.00 33.84 32.19 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 0.36 3.41 0.37 3.52 1.51 -1.26 -4.27 117.35 120.98 2cu8 s TYR 20 Ca 0.77 1.10 0.17 0.00 -1.01 0.00 0.00 57.07 58.11 2cu8 s TYR 20 Cb -0.79 -2.90 1.10 0.00 -0.11 0.00 0.00 41.96 39.25 2cu8 s TYR 20 CO 0.46 -0.19 1.72 0.35 -1.11 0.00 0.00 175.55 176.77 2cu8 h PHE 21 N 7.37 0.77 -0.46 2.71 3.57 -1.92 1.31 116.94 130.29 2cu8 h PHE 21 Ca -0.31 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.30 2cu8 h PHE 21 Cb 1.14 -0.22 -0.07 0.00 2.79 0.00 0.00 35.95 39.60 2cu8 h PHE 21 CO 0.71 -0.02 0.07 0.00 -2.23 0.00 0.00 178.31 176.84 2cu8 h ALA 22 N 1.69 0.49 -0.30 2.41 0.00 -2.02 -2.31 119.26 119.22 2cu8 h ALA 22 Ca 0.67 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.68 2cu8 h ALA 22 Cb 1.63 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2cu8 h ALA 22 CO -0.41 -0.33 0.00 0.39 0.00 0.00 0.00 179.25 178.90 2cu8 n GLU 23 N -5.13 3.02 -2.31 0.00 1.02 0.46 -4.99 120.64 112.70 2cu8 n GLU 23 Ca 0.04 -2.70 -0.42 0.00 -0.02 0.00 0.00 57.16 54.06 2cu8 n GLU 23 Cb 0.23 -1.75 -0.03 0.00 -0.02 0.00 0.00 31.44 29.87 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 -2.45 4.29 -0.26 3.49 2.20 0.42 -4.39 119.74 123.04 2cu8 s LYS 24 Ca 0.39 1.84 -0.01 0.00 -0.36 0.00 0.00 55.97 57.84 2cu8 s LYS 24 Cb 0.30 -3.63 0.04 0.00 -1.51 0.00 0.00 37.83 33.03 2cu8 s LYS 24 CO 0.11 -0.58 -0.06 0.54 -0.36 0.00 0.00 175.35 175.00 2cu8 s VAL 25 N 2.65 2.71 0.37 4.02 0.11 -1.16 -4.96 120.40 124.15 2cu8 s VAL 25 Ca 0.61 -1.24 -0.26 0.00 -2.93 0.00 0.00 61.98 58.16 2cu8 s VAL 25 Cb -0.28 -2.46 -0.09 0.00 -1.53 0.00 0.00 36.38 32.02 2cu8 s VAL 25 CO 0.23 0.09 1.10 -0.94 -3.33 0.00 0.00 175.10 172.26 2cu8 s SER 26 N 1.26 6.79 -0.29 3.54 1.04 -1.26 -2.53 113.70 122.24 2cu8 s SER 26 Ca -0.03 2.21 -0.21 0.00 0.48 0.00 0.00 55.95 58.40 2cu8 s SER 26 Cb -0.18 -2.61 0.16 0.00 0.10 0.00 0.00 66.02 63.49 2cu8 s SER 26 CO -0.04 -0.48 1.14 -0.55 0.98 0.00 0.00 173.24 174.29 2cu8 s SER 27 N -1.24 -0.33 -1.19 7.02 0.15 -0.71 -4.78 113.70 112.63 2cu8 s SER 27 Ca 0.54 0.58 -0.10 0.00 0.70 0.00 0.00 55.95 57.67 2cu8 s SER 27 Cb -0.28 0.83 0.08 0.00 -1.71 0.00 0.00 66.02 64.94 2cu8 s SER 27 CO 0.35 -0.10 0.42 0.18 1.20 0.00 0.00 173.24 175.29 2cu8 n LEU 28 N 2.64 -1.25 -1.60 3.45 4.32 -1.26 0.83 117.00 124.13 2cu8 n LEU 28 Ca -0.14 -0.36 -0.14 0.00 -0.02 0.00 0.00 56.01 55.35 2cu8 n LEU 28 Cb 0.57 -1.92 -0.00 0.00 -1.62 0.00 0.00 43.42 40.44 2cu8 n LEU 28 CO 0.03 0.12 -0.16 0.61 -1.22 0.00 0.00 177.39 176.76 2cu8 n GLY 29 N -1.06 -0.19 3.37 -0.72 0.00 -1.26 -5.00 105.19 100.34 2cu8 n GLY 29 Ca -0.00 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 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 -4.74 1.86 -0.20 1.61 -0.14 0.24 -5.15 119.74 113.23 2cu8 s LYS 30 Ca 0.02 -2.11 -0.01 0.00 -1.36 0.00 0.00 55.97 52.51 2cu8 s LYS 30 Cb -0.01 0.00 0.06 0.00 -1.68 0.00 0.00 37.83 36.20 2cu8 s LYS 30 CO 0.02 -0.62 -0.02 -0.51 -0.76 0.00 0.00 175.35 173.47 2cu8 s ASP 31 N -3.47 3.20 0.28 2.83 1.01 -1.26 -1.73 116.67 117.53 2cu8 s ASP 31 Ca 0.34 -0.90 0.01 0.00 0.71 0.00 0.00 52.55 52.71 2cu8 s ASP 31 Cb 0.02 -0.87 0.01 0.00 1.01 0.00 0.00 42.92 43.09 2cu8 s ASP 31 CO 0.24 -0.25 0.06 0.79 0.21 0.00 0.00 175.17 176.22 2cu8 n TRP 32 N 4.88 0.17 -3.70 4.23 7.02 -1.05 -4.27 117.44 124.72 2cu8 n TRP 32 Ca -0.11 -1.34 -0.21 0.00 -1.02 0.00 0.00 57.50 54.83 2cu8 n TRP 32 Cb 0.46 -0.20 -0.03 0.00 -2.42 0.00 0.00 31.31 29.12 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 -1.85 2.85 -0.12 -5.99 3.76 -1.26 -3.00 115.29 109.69 2cu8 s HIS 33 Ca 0.05 -0.36 0.30 0.00 -0.15 0.00 0.00 55.06 54.90 2cu8 s HIS 33 Cb -0.00 -1.94 1.13 0.00 1.11 0.00 0.00 32.58 32.88 2cu8 s HIS 33 CO 0.03 0.06 1.87 0.87 -0.85 0.00 0.00 174.74 176.73 2cu8 h LYS 34 N 1.15 0.00 0.00 1.40 6.56 -1.96 -1.78 116.57 121.93 2cu8 h LYS 34 Ca -0.44 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.15 2cu8 h LYS 34 Cb 1.26 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.92 2cu8 h LYS 34 CO 0.57 0.00 -1.27 1.19 -2.06 0.00 0.00 179.45 177.89 2cu8 n PHE 35 N -2.90 0.00 0.04 -1.35 3.72 -1.26 -4.47 117.46 111.23 2cu8 n PHE 35 Ca 0.02 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.20 2cu8 n PHE 35 Cb 0.33 -0.19 -0.14 0.00 -0.94 0.00 0.00 39.48 38.54 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 -3.53 1.43 -3.63 0.00 7.94 -0.69 -4.74 117.00 113.77 2cu8 n LEU 37 Ca -0.28 -2.21 -0.10 0.00 -1.11 0.00 0.00 56.01 52.31 2cu8 n LEU 37 Cb 1.06 -1.29 -0.02 0.00 0.53 0.00 0.00 43.42 43.70 2cu8 n LEU 37 CO 0.48 -2.87 0.39 -0.54 -1.11 0.00 0.00 177.39 173.73 2cu8 s LYS 38 N 7.76 1.45 0.34 1.96 1.02 -1.26 -3.58 119.74 127.44 2cu8 s LYS 38 Ca 0.76 -0.72 -0.25 0.00 0.02 0.00 0.00 55.97 55.77 2cu8 s LYS 38 Cb 0.03 0.58 -0.10 0.00 -0.52 0.00 0.00 37.83 37.82 2cu8 s LYS 38 CO 0.24 -0.64 0.96 0.00 -0.92 0.00 0.00 175.35 174.98 2cu8 n GLU 40 N 0.34 0.21 -0.09 0.00 4.07 -1.26 -2.83 120.64 121.08 2cu8 n GLU 40 Ca 0.03 -0.05 -0.10 0.00 -0.06 0.00 0.00 57.16 56.97 2cu8 n GLU 40 Cb 0.50 -1.52 -0.04 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 -1.75 0.50 0.00 5.31 0.63 -1.26 -4.61 116.66 115.47 2cu8 n ARG 41 Ca 0.02 0.46 -0.10 0.00 -0.92 0.00 0.00 57.85 57.31 2cu8 n ARG 41 Cb 0.40 -1.64 -0.14 0.00 0.45 0.00 0.00 32.46 31.53 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 -3.17 -2.19 -4.51 0.00 2.88 -1.13 -5.05 113.62 100.45 2cu8 n SER 43 Ca -0.16 -0.20 -0.27 0.00 -1.33 0.00 0.00 58.87 56.91 2cu8 n SER 43 Cb 1.03 -2.01 -0.10 0.00 -0.75 0.00 0.00 64.21 62.38 2cu8 n SER 43 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2cu8 s LYS 44 N -4.57 1.84 0.08 -1.46 1.02 -1.26 -4.89 119.74 110.52 2cu8 s LYS 44 Ca 0.02 -1.36 -0.31 0.00 0.02 0.00 0.00 55.97 54.35 2cu8 s LYS 44 Cb -0.01 -2.04 -0.08 0.00 -0.52 0.00 0.00 37.83 35.18 2cu8 s LYS 44 CO 0.24 0.42 1.61 0.99 -0.92 0.00 0.00 175.35 177.69 2cu8 s THR 45 N -1.66 3.03 0.37 2.17 2.01 -1.26 -2.67 115.64 117.62 2cu8 s THR 45 Ca 0.23 0.55 0.08 0.00 0.31 0.00 0.00 61.69 62.85 2cu8 s THR 45 Cb -0.09 -3.35 -0.03 0.00 0.01 0.00 0.00 72.50 69.05 2cu8 s THR 45 CO 0.13 0.01 0.32 -0.76 -0.69 0.00 0.00 174.62 173.62 2cu8 s LEU 46 N 2.28 3.50 -0.07 4.42 1.43 -1.24 -4.97 118.68 124.04 2cu8 s LEU 46 Ca 0.72 -0.61 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 2cu8 s LEU 46 Cb -0.40 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 43.68 2cu8 s LEU 46 CO 0.31 -0.47 -0.16 -0.89 0.23 0.00 0.00 176.35 175.38 2cu8 s THR 47 N -2.38 2.87 -0.80 5.49 2.01 -1.26 -4.89 115.64 116.68 2cu8 s THR 47 Ca 0.43 -0.78 -0.25 0.00 0.31 0.00 0.00 61.69 61.40 2cu8 s THR 47 Cb -0.05 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 2cu8 s THR 47 CO 0.27 0.57 1.92 -2.16 -0.69 0.00 0.00 174.62 174.53 2cu8 s PRO 48 N -0.39 2.58 0.00 4.92 0.04 -1.26 -2.59 135.00 138.29 2cu8 s PRO 48 Ca 0.04 0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.10 2cu8 s PRO 48 Cb -0.12 -4.83 0.00 0.00 0.04 0.00 0.00 34.50 29.59 2cu8 s PRO 48 CO 0.02 -3.15 0.00 0.41 0.04 0.00 0.00 177.00 174.32 2cu8 n GLY 49 N 6.45 1.82 2.40 0.56 0.00 -1.26 -4.87 105.19 110.29 2cu8 n GLY 49 Ca 0.33 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 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 4.54 3.43 -0.02 0.00 -1.07 -4.94 105.19 107.12 2cu8 n GLY 50 Ca 0.00 -2.61 -0.11 0.00 0.00 0.00 0.00 46.02 43.31 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 -2.28 -0.28 0.33 1.61 -3.43 -1.26 -4.58 115.29 105.40 2cu8 s HIS 51 Ca 0.39 -0.02 0.04 0.00 -0.80 0.00 0.00 55.06 54.67 2cu8 s HIS 51 Cb 0.15 0.41 -0.02 0.00 -1.43 0.00 0.00 32.58 31.69 2cu8 s HIS 51 CO -0.03 -0.83 0.49 0.00 -2.00 0.00 0.00 174.74 172.37 2cu8 s ALA 52 N -3.81 3.99 0.01 -1.38 0.00 -0.56 -4.95 121.76 115.05 2cu8 s ALA 52 Ca 0.05 -1.24 0.03 0.00 0.00 0.00 0.00 51.96 50.79 2cu8 s ALA 52 Cb -0.00 -1.84 -0.01 0.00 0.00 0.00 0.00 23.12 21.27 2cu8 s ALA 52 CO -0.09 -0.02 -0.10 -1.83 0.00 0.00 0.00 175.76 173.72 2cu8 s GLU 53 N -4.21 0.80 -0.21 0.00 1.03 -1.26 -0.58 118.70 114.27 2cu8 s GLU 53 Ca 0.42 -0.46 -0.04 0.00 0.03 0.00 0.00 54.97 54.92 2cu8 s GLU 53 Cb -0.09 -0.77 0.11 0.00 -0.80 0.00 0.00 34.13 32.57 2cu8 s GLU 53 CO 0.32 0.20 0.29 -1.58 -1.33 0.00 0.00 175.26 173.17 2cu8 s HIS 54 N -0.43 -0.52 -1.78 4.83 2.46 0.90 -4.86 115.29 115.88 2cu8 s HIS 54 Ca 0.02 0.57 0.00 0.00 0.47 0.00 0.00 55.06 56.12 2cu8 s HIS 54 Cb -0.05 -0.16 0.00 0.00 -0.13 0.00 0.00 32.58 32.24 2cu8 s HIS 54 CO -0.00 -0.62 0.00 -3.47 -2.47 0.00 0.00 174.74 168.18 2cu8 n ASP 55 N 5.34 -5.34 0.00 9.88 2.03 -1.26 -1.55 116.55 125.65 2cu8 n ASP 55 Ca -0.05 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.47 2cu8 n ASP 55 Cb 0.50 -4.44 0.00 0.00 -0.72 0.00 0.00 41.12 36.46 2cu8 n ASP 55 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2cu8 n GLY 56 N -0.86 3.12 3.73 0.27 0.00 -1.26 -5.04 105.19 105.15 2cu8 n GLY 56 Ca -0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.29 4.35 0.73 1.61 1.02 -0.60 -4.86 119.74 121.71 2cu8 s LYS 57 Ca 0.00 0.56 -0.12 0.00 0.02 0.00 0.00 55.97 56.43 2cu8 s LYS 57 Cb 0.00 -3.43 0.04 0.00 -0.52 0.00 0.00 37.83 33.92 2cu8 s LYS 57 CO 0.00 0.17 1.10 -1.25 -0.92 0.00 0.00 175.35 174.45 2cu8 s PRO 58 N 0.55 2.45 -0.20 -1.68 0.04 -1.26 -0.07 135.00 134.83 2cu8 s PRO 58 Ca 0.29 1.25 -0.27 0.00 0.04 0.00 0.00 61.00 62.30 2cu8 s PRO 58 Cb -0.16 -1.92 0.08 0.00 0.04 0.00 0.00 34.50 32.55 2cu8 s PRO 58 CO 0.12 -1.50 0.79 -0.06 0.04 0.00 0.00 177.00 176.39 2cu8 s PHE 59 N -2.70 -0.66 0.58 0.56 0.08 0.25 -4.21 117.98 111.88 2cu8 s PHE 59 Ca 0.63 1.45 -0.20 0.00 0.12 0.00 0.00 56.93 58.94 2cu8 s PHE 59 Cb -0.18 0.34 -0.04 0.00 -0.57 0.00 0.00 43.02 42.57 2cu8 s PHE 59 CO 0.51 -0.41 1.24 0.00 -0.10 0.00 0.00 175.22 176.45 2cu8 h HIS 61 N 0.97 0.75 0.00 0.00 3.86 -1.94 0.15 115.15 118.94 2cu8 h HIS 61 Ca -0.50 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 2cu8 h HIS 61 Cb 1.33 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 29.59 2cu8 h HIS 61 CO 0.42 -0.06 0.00 0.36 0.86 0.00 0.00 177.93 179.51 2cu8 n LYS 62 N -4.79 0.00 0.28 2.45 2.85 -1.26 -2.98 118.16 114.71 2cu8 n LYS 62 Ca 0.30 0.00 0.17 0.00 -1.05 0.00 0.00 58.31 57.73 2cu8 n LYS 62 Cb 1.01 0.00 0.71 0.00 -0.65 0.00 0.00 35.03 36.10 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 -0.97 -0.39 0.00 3.20 -0.80 -1.74 116.97 116.27 2cu8 h TYR 65 Ca 0.00 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.91 2cu8 h TYR 65 Cb 0.00 0.38 -0.05 0.00 1.54 0.00 0.00 36.73 38.60 2cu8 h TYR 65 CO -0.11 -0.51 -0.23 0.00 -1.64 0.00 0.00 178.16 175.67 2cu8 n ALA 66 N -2.65 -0.25 0.16 1.82 0.00 -0.26 -0.81 120.51 118.52 2cu8 n ALA 66 Ca -0.10 0.33 -0.15 0.00 0.00 0.00 0.00 53.44 53.53 2cu8 n ALA 66 Cb 0.37 0.15 -0.07 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 0.26 -1.40 0.00 2.02 -0.10 -1.40 112.91 112.29 2cu8 h THR 67 Ca 0.06 0.00 0.45 0.00 0.77 0.00 0.00 66.41 67.70 2cu8 h THR 67 Cb 0.16 0.26 -0.12 0.00 -1.74 0.00 0.00 68.15 66.71 2cu8 h THR 67 CO -0.37 0.00 0.92 -0.07 0.37 0.00 0.00 175.52 176.37 2cu8 h LEU 68 N -0.66 0.20 -4.00 2.58 3.38 -0.13 1.11 115.31 117.79 2cu8 h LEU 68 Ca 0.00 0.12 -0.62 0.00 0.09 0.00 0.00 57.88 57.47 2cu8 h LEU 68 Cb 0.64 0.11 -0.36 0.00 0.09 0.00 0.00 40.66 41.14 2cu8 h LEU 68 CO -0.15 -0.16 0.05 0.49 0.09 0.00 0.00 178.44 178.76 2cu8 n PHE 69 N -4.59 3.02 -3.98 1.13 3.01 0.00 -5.01 117.46 111.04 2cu8 n PHE 69 Ca 0.38 -2.64 -0.29 0.00 1.01 0.00 0.00 57.45 55.90 2cu8 n PHE 69 Cb 1.51 -0.86 -0.05 0.00 -0.01 0.00 0.00 39.48 40.07 2cu8 n PHE 69 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2cu8 s GLY 70 N -2.66 1.99 0.64 1.37 0.00 0.38 -4.96 107.32 104.09 2cu8 s GLY 70 Ca 0.57 -0.97 -0.11 0.00 0.00 0.00 0.00 44.72 44.20 2cu8 s GLY 70 CO -0.03 -0.96 1.04 -1.35 0.00 0.00 0.00 173.10 171.80 2cu8 s SER 71 N -2.69 6.04 0.00 1.64 1.04 -1.26 -4.92 113.70 113.56 2cu8 s SER 71 Ca 0.33 1.34 0.00 0.00 0.48 0.00 0.00 55.95 58.09 2cu8 s SER 71 Cb -0.12 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.67 2cu8 s SER 71 CO 0.26 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 174.11 2cu8 n GLY 72 N -2.80 0.31 3.56 7.32 0.00 -1.26 -4.95 105.19 107.36 2cu8 n GLY 72 Ca 0.06 -2.11 -0.31 0.00 0.00 0.00 0.00 46.02 43.66 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 2.58 -0.29 1.61 0.04 -1.26 -4.88 135.00 132.81 2cu8 s PRO 73 Ca 0.00 0.08 -0.15 0.00 0.04 0.00 0.00 61.00 60.96 2cu8 s PRO 73 Cb 0.00 -4.79 0.12 0.00 0.04 0.00 0.00 34.50 29.88 2cu8 s PRO 73 CO 0.00 -3.12 0.84 -1.54 0.04 0.00 0.00 177.00 173.23 2cu8 s SER 74 N 8.07 -0.73 0.04 6.66 1.04 -1.26 -5.18 113.70 122.34 2cu8 s SER 74 Ca 0.69 1.13 -0.10 0.00 0.48 0.00 0.00 55.95 58.16 2cu8 s SER 74 Cb -0.09 1.43 0.00 0.00 0.10 0.00 0.00 66.02 67.46 2cu8 s SER 74 CO 0.08 -0.17 0.20 -0.55 0.98 0.00 0.00 173.24 173.78 2cu8 s SER 75 N 1.72 0.03 0.00 7.02 0.15 -1.26 -5.14 113.70 116.22 2cu8 s SER 75 Ca -0.08 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.19 2cu8 s SER 75 Cb -0.05 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 2cu8 s SER 75 CO -0.17 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 174.30