#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1coa s LYS 21 N 0.00 3.44 0.00 2.12 2.20 -1.26 -4.93 119.74 121.31 1coa s LYS 21 Ca 0.00 -0.69 0.00 0.00 -0.36 0.00 0.00 55.97 54.92 1coa s LYS 21 Cb 0.00 -2.92 0.00 0.00 -1.51 0.00 0.00 37.83 33.40 1coa s LYS 21 CO 0.00 0.47 0.07 0.25 -0.36 0.00 0.00 175.35 175.78 1coa n THR 22 N -1.06 0.00 -3.90 3.43 -2.24 -1.26 -4.96 114.28 104.29 1coa n THR 22 Ca -0.08 -0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.35 1coa n THR 22 Cb 0.56 1.16 -0.09 0.00 -2.10 0.00 0.00 70.33 69.85 1coa n THR 22 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1coa s GLU 23 N -0.34 0.55 -0.53 -0.78 -1.05 -1.26 -2.03 118.70 113.26 1coa s GLU 23 Ca 0.00 -0.61 0.07 0.00 -0.15 0.00 0.00 54.97 54.28 1coa s GLU 23 Cb 0.00 0.22 0.25 0.00 -0.44 0.00 0.00 34.13 34.16 1coa s GLU 23 CO 0.00 -0.14 0.64 0.91 0.95 0.00 0.00 175.26 177.62 1coa n TRP 24 N 1.04 1.88 0.13 4.83 8.01 -0.46 -4.93 117.44 127.94 1coa n TRP 24 Ca -0.21 -3.90 0.09 0.00 -1.31 0.00 0.00 57.50 52.18 1coa n TRP 24 Cb 0.57 -0.45 0.59 0.00 -2.01 0.00 0.00 31.31 30.00 1coa n TRP 24 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.69 175.33 1coa h PRO 25 N 4.18 0.16 0.00 -0.99 0.11 -1.95 -0.36 132.00 133.15 1coa h PRO 25 Ca 0.15 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1coa h PRO 25 Cb 0.76 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1coa h PRO 25 CO 0.67 0.11 0.00 -0.85 -0.21 0.00 0.00 178.00 177.71 1coa n GLU 26 N -4.49 0.78 0.00 1.05 0.00 -1.26 -3.28 120.64 113.44 1coa n GLU 26 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 57.16 57.27 1coa n GLU 26 Cb 0.19 -1.39 -0.07 0.00 0.00 0.00 0.00 31.44 30.17 1coa n GLU 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1coa n LEU 27 N -0.89 1.35 -4.68 -1.84 4.77 -0.15 -4.88 117.00 110.67 1coa n LEU 27 Ca 0.15 -0.60 -0.45 0.00 -0.03 0.00 0.00 56.01 55.08 1coa n LEU 27 Cb 0.07 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 1coa n LEU 27 CO 0.11 0.29 1.30 0.52 -1.33 0.00 0.00 177.39 178.28 1coa n VAL 28 N -0.90 0.11 0.00 4.08 0.31 -1.21 -1.44 118.33 119.28 1coa n VAL 28 Ca 0.06 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1coa n VAL 28 Cb 0.36 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 1coa n VAL 28 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1coa n GLY 29 N 3.76 1.72 3.91 2.92 0.00 0.13 -4.98 105.19 112.66 1coa n GLY 29 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 1coa n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1coa s LYS 30 N -0.52 3.39 0.94 1.61 -0.14 -0.52 -4.64 119.74 119.85 1coa s LYS 30 Ca 0.00 0.07 -0.12 0.00 -1.36 0.00 0.00 55.97 54.56 1coa s LYS 30 Cb 0.00 -2.39 0.15 0.00 -1.68 0.00 0.00 37.83 33.91 1coa s LYS 30 CO 0.00 -0.28 1.09 -1.54 -0.76 0.00 0.00 175.35 173.87 1coa s SER 31 N -4.15 3.14 0.30 2.83 1.04 -1.26 0.04 113.70 115.64 1coa s SER 31 Ca 0.48 1.35 0.02 0.00 0.48 0.00 0.00 55.95 58.29 1coa s SER 31 Cb -0.10 -2.03 0.46 0.00 0.10 0.00 0.00 66.02 64.45 1coa s SER 31 CO 0.44 -2.83 1.78 0.58 0.98 0.00 0.00 173.24 174.19 1coa h VAL 32 N -1.68 1.24 -0.53 5.02 2.07 -1.90 -0.44 116.25 120.02 1coa h VAL 32 Ca -0.51 -1.05 -0.09 0.00 0.82 0.00 0.00 66.70 65.87 1coa h VAL 32 Cb 1.30 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 1coa h VAL 32 CO 0.56 0.35 -0.01 -0.08 0.02 0.00 0.00 177.57 178.41 1coa h GLU 33 N 0.51 0.94 0.00 1.57 4.81 -1.92 -0.89 114.58 119.59 1coa h GLU 33 Ca 0.09 -0.30 -0.03 0.00 -0.13 0.00 0.00 59.36 58.99 1coa h GLU 33 Cb 0.51 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1coa h GLU 33 CO 0.03 0.96 -0.96 1.49 -0.73 0.00 0.00 179.01 179.80 1coa h GLU 34 N 0.81 0.00 -0.60 1.92 4.81 -1.88 -2.98 114.58 116.66 1coa h GLU 34 Ca 0.15 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1coa h GLU 34 Cb 0.54 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 1coa h GLU 34 CO 0.03 0.06 0.40 0.00 -0.73 0.00 0.00 179.01 178.77 1coa h ALA 35 N 1.89 1.58 -0.64 2.92 0.00 -0.92 -2.83 119.26 121.26 1coa h ALA 35 Ca -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1coa h ALA 35 Cb 1.11 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1coa h ALA 35 CO 0.01 0.38 0.36 0.87 0.00 0.00 0.00 179.25 180.88 1coa h LYS 36 N 0.81 0.88 -0.49 0.00 1.57 -1.10 -1.35 116.57 116.88 1coa h LYS 36 Ca 0.22 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 1coa h LYS 36 Cb -0.08 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.04 1coa h LYS 36 CO -0.05 0.65 0.12 -0.22 -0.57 0.00 0.00 179.45 179.38 1coa h LYS 37 N 0.87 0.78 0.27 3.15 3.64 -1.37 -1.69 116.57 122.23 1coa h LYS 37 Ca 0.23 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1coa h LYS 37 Cb 0.01 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1coa h LYS 37 CO -0.04 0.76 -0.13 0.28 -2.27 0.00 0.00 179.45 178.05 1coa h VAL 38 N 0.67 0.78 -0.67 2.00 2.07 -1.32 -1.08 116.25 118.69 1coa h VAL 38 Ca 0.15 -0.50 0.04 0.00 0.82 0.00 0.00 66.70 67.22 1coa h VAL 38 Cb 0.33 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 1coa h VAL 38 CO 0.00 0.10 0.40 0.40 0.02 0.00 0.00 177.57 178.50 1coa h ILE 39 N -0.62 1.03 0.00 4.57 2.04 -1.21 -0.42 117.51 122.90 1coa h ILE 39 Ca -0.04 -0.26 -0.08 0.00 1.00 0.00 0.00 64.86 65.48 1coa h ILE 39 Cb 0.45 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1coa h ILE 39 CO 0.06 0.14 -0.39 -0.07 0.00 0.00 0.00 178.15 177.89 1coa h LEU 40 N 0.76 0.00 -0.32 1.44 3.38 -1.31 1.37 115.31 120.64 1coa h LEU 40 Ca 0.29 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.19 1coa h LEU 40 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1coa h LEU 40 CO -0.14 0.39 -0.05 1.56 0.09 0.00 0.00 178.44 180.29 1coa h GLN 41 N 0.00 0.60 0.00 1.13 4.20 0.19 -3.17 115.11 118.06 1coa h GLN 41 Ca -0.00 -0.22 -0.05 0.00 0.06 0.00 0.00 58.65 58.44 1coa h GLN 41 Cb 0.72 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 1coa h GLN 41 CO 0.05 0.77 -0.39 -0.44 -0.67 0.00 0.00 178.83 178.14 1coa h ASP 42 N 0.38 0.00 -2.26 1.46 3.32 -0.61 -3.41 116.42 115.31 1coa h ASP 42 Ca 0.08 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.62 1coa h ASP 42 Cb 0.53 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 39.73 1coa h ASP 42 CO 0.03 0.21 -0.84 -0.75 -1.72 0.00 0.00 179.24 176.17 1coa s LYS 43 N -3.12 0.72 0.54 3.56 2.20 0.47 -4.77 119.74 119.33 1coa s LYS 43 Ca 0.04 -1.48 0.23 0.00 -0.36 0.00 0.00 55.97 54.40 1coa s LYS 43 Cb 0.07 -1.13 1.40 0.00 -1.51 0.00 0.00 37.83 36.67 1coa s LYS 43 CO 0.72 -1.28 2.07 -1.35 -0.36 0.00 0.00 175.35 175.15 1coa h PRO 44 N 6.41 0.00 -0.67 4.03 0.11 -1.76 -2.44 132.00 137.68 1coa h PRO 44 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1coa h PRO 44 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1coa h PRO 44 CO 0.27 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.21 1coa n GLU 45 N -4.32 3.45 -1.72 1.05 0.00 -1.26 -4.99 120.64 112.85 1coa n GLU 45 Ca 0.04 -2.74 -0.43 0.00 0.00 0.00 0.00 57.16 54.04 1coa n GLU 45 Cb 0.38 -1.81 -0.01 0.00 0.00 0.00 0.00 31.44 29.99 1coa n GLU 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1coa n ALA 46 N 1.21 1.78 -3.50 -1.84 0.00 -0.92 -4.85 120.51 112.39 1coa n ALA 46 Ca 0.25 0.37 -0.38 0.00 0.00 0.00 0.00 53.44 53.68 1coa n ALA 46 Cb 0.81 -2.34 -0.11 0.00 0.00 0.00 0.00 19.45 17.81 1coa n ALA 46 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1coa s GLN 47 N -1.22 2.39 -0.20 0.00 -1.52 0.18 -4.98 119.66 114.30 1coa s GLN 47 Ca 0.60 -1.51 -0.22 0.00 -1.95 0.00 0.00 55.36 52.28 1coa s GLN 47 Cb -0.55 -3.58 -0.02 0.00 -0.22 0.00 0.00 33.01 28.64 1coa s GLN 47 CO 0.56 -0.90 0.69 0.42 -0.25 0.00 0.00 175.29 175.81 1coa s ILE 48 N 1.30 4.97 -0.15 1.08 1.01 -1.26 -1.11 121.20 127.05 1coa s ILE 48 Ca 0.03 1.32 -0.00 0.00 0.00 0.00 0.00 60.65 61.99 1coa s ILE 48 Cb -0.22 -4.00 -0.01 0.00 0.01 0.00 0.00 42.46 38.24 1coa s ILE 48 CO -0.00 0.07 -0.14 -0.63 0.00 0.00 0.00 174.94 174.23 1coa s ILE 49 N 2.10 2.81 -0.33 2.92 -1.09 -0.46 -4.97 121.20 122.18 1coa s ILE 49 Ca 0.31 -0.72 -0.08 0.00 -2.23 0.00 0.00 60.65 57.93 1coa s ILE 49 Cb -0.16 -2.19 0.02 0.00 -1.58 0.00 0.00 42.46 38.55 1coa s ILE 49 CO 0.10 0.51 0.13 -0.69 -1.23 0.00 0.00 174.94 173.76 1coa s VAL 50 N 0.71 4.12 0.03 2.92 1.01 -1.26 0.80 120.40 128.73 1coa s VAL 50 Ca -0.06 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.13 1coa s VAL 50 Cb -0.15 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 1coa s VAL 50 CO 0.02 -0.08 -0.19 -0.76 0.00 0.00 0.00 175.10 174.08 1coa s LEU 51 N 1.49 2.14 0.47 3.92 1.43 -0.10 -4.97 118.68 123.06 1coa s LEU 51 Ca 0.01 -0.47 -0.23 0.00 -1.03 0.00 0.00 54.13 52.41 1coa s LEU 51 Cb -0.18 -0.91 -0.07 0.00 0.03 0.00 0.00 46.19 45.06 1coa s LEU 51 CO 0.04 0.15 1.25 -2.84 0.23 0.00 0.00 176.35 175.18 1coa s PRO 52 N -1.00 3.62 0.42 1.29 0.02 -1.26 -1.45 135.00 136.62 1coa s PRO 52 Ca 0.06 1.98 -0.26 0.00 0.02 0.00 0.00 61.00 62.80 1coa s PRO 52 Cb -0.08 -2.43 -0.10 0.00 0.02 0.00 0.00 34.50 31.91 1coa s PRO 52 CO 0.01 -0.73 1.30 0.28 -0.33 0.00 0.00 177.00 177.53 1coa n VAL 53 N -0.53 2.52 0.00 3.83 0.31 -0.20 -2.74 118.33 121.52 1coa n VAL 53 Ca 0.07 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 1coa n VAL 53 Cb 0.46 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 1coa n VAL 53 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1coa n GLY 54 N 0.77 1.05 3.72 2.92 0.00 -1.26 -5.01 105.19 107.38 1coa n GLY 54 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1coa n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1coa s THR 55 N -2.29 3.44 -0.14 2.61 2.01 -1.11 -5.00 115.64 115.15 1coa s THR 55 Ca 0.00 1.08 -0.20 0.00 0.31 0.00 0.00 61.69 62.88 1coa s THR 55 Cb 0.00 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 1coa s THR 55 CO 0.00 0.11 0.58 -0.63 -0.69 0.00 0.00 174.62 174.00 1coa s ILE 56 N 0.73 5.09 0.15 1.82 1.01 -1.26 -5.06 121.20 123.68 1coa s ILE 56 Ca 0.60 1.15 0.03 0.00 0.00 0.00 0.00 60.65 62.44 1coa s ILE 56 Cb -0.35 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 1coa s ILE 56 CO 0.33 0.23 0.21 0.68 0.00 0.00 0.00 174.94 176.39 1coa s VAL 57 N 1.15 4.95 0.30 2.92 -7.23 -1.26 -5.09 120.40 116.15 1coa s VAL 57 Ca 0.30 -0.83 -0.28 0.00 -1.81 0.00 0.00 61.98 59.36 1coa s VAL 57 Cb -0.16 -3.53 -0.09 0.00 0.56 0.00 0.00 36.38 33.16 1coa s VAL 57 CO 0.12 -0.08 0.98 0.42 -0.31 0.00 0.00 175.10 176.24 1coa s THR 58 N -1.72 4.00 -1.23 5.32 -4.23 -1.26 -4.95 115.64 111.58 1coa s THR 58 Ca 0.33 1.80 -0.19 0.00 -1.18 0.00 0.00 61.69 62.44 1coa s THR 58 Cb -0.11 -4.06 0.07 0.00 1.34 0.00 0.00 72.50 69.74 1coa s THR 58 CO 0.26 0.27 1.66 0.00 -0.54 0.00 0.00 174.62 176.27 1coa s MET 59 N -1.75 3.89 -0.17 3.99 0.23 -1.26 -4.87 119.30 119.35 1coa s MET 59 Ca 0.47 -1.78 -0.02 0.00 -1.03 0.00 0.00 55.69 53.34 1coa s MET 59 Cb -0.23 -5.49 0.05 0.00 -1.53 0.00 0.00 34.83 27.63 1coa s MET 59 CO 0.29 -2.24 -0.00 -1.83 -2.03 0.00 0.00 175.02 169.21 1coa s GLU 60 N 4.41 0.94 -0.23 3.16 -1.05 -1.26 -5.13 118.70 119.53 1coa s GLU 60 Ca 0.52 -0.42 -0.27 0.00 -0.15 0.00 0.00 54.97 54.65 1coa s GLU 60 Cb 0.03 -1.96 0.00 0.00 -0.44 0.00 0.00 34.13 31.76 1coa s GLU 60 CO 0.03 -0.53 0.93 -0.47 0.95 0.00 0.00 175.26 176.17 1coa s TYR 61 N 1.77 3.34 -0.13 4.83 5.04 -1.26 -5.02 117.35 125.93 1coa s TYR 61 Ca -0.00 1.30 0.01 0.00 -2.44 0.00 0.00 57.07 55.94 1coa s TYR 61 Cb -0.16 -3.15 0.02 0.00 0.35 0.00 0.00 41.96 39.02 1coa s TYR 61 CO -0.07 -0.42 -0.13 1.03 -1.34 0.00 0.00 175.55 174.62 1coa s ARG 62 N 2.93 2.09 0.52 4.97 0.52 -1.26 -5.02 118.95 123.69 1coa s ARG 62 Ca 0.39 -0.49 0.29 0.00 -0.52 0.00 0.00 55.73 55.41 1coa s ARG 62 Cb -0.15 -1.91 1.34 0.00 0.52 0.00 0.00 34.95 34.75 1coa s ARG 62 CO 0.07 -0.19 2.00 0.97 0.02 0.00 0.00 175.30 178.17 1coa h ILE 63 N 6.05 0.37 -0.01 1.52 2.10 -1.95 -2.40 117.51 123.19 1coa h ILE 63 Ca -0.34 -0.68 0.00 0.00 1.08 0.00 0.00 64.86 64.92 1coa h ILE 63 Cb 1.15 1.50 0.00 0.00 -1.09 0.00 0.00 36.82 38.37 1coa h ILE 63 CO 0.49 0.11 -0.51 -0.90 -1.08 0.00 0.00 178.15 176.26 1coa n ASP 64 N -3.36 1.24 -4.84 2.19 5.75 -1.26 -4.74 116.55 111.53 1coa n ASP 64 Ca -0.01 -1.00 -0.37 0.00 -0.01 0.00 0.00 54.79 53.40 1coa n ASP 64 Cb 0.30 0.43 -0.06 0.00 -1.03 0.00 0.00 41.12 40.76 1coa n ASP 64 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1coa s ARG 65 N -2.67 3.91 -0.19 0.11 3.52 -0.93 -0.65 118.95 122.05 1coa s ARG 65 Ca 0.17 0.39 -0.02 0.00 -0.13 0.00 0.00 55.73 56.14 1coa s ARG 65 Cb 0.18 -3.16 0.06 0.00 -1.56 0.00 0.00 34.95 30.47 1coa s ARG 65 CO 0.63 0.65 0.02 0.08 -0.81 0.00 0.00 175.30 175.87 1coa s VAL 66 N -1.17 0.69 -0.05 7.11 1.01 -0.26 -0.41 120.40 127.32 1coa s VAL 66 Ca 0.27 -0.62 -0.18 0.00 0.00 0.00 0.00 61.98 61.45 1coa s VAL 66 Cb -0.16 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 1coa s VAL 66 CO 0.15 -0.15 0.49 -0.13 0.00 0.00 0.00 175.10 175.45 1coa s ARG 67 N 1.79 4.22 -0.23 2.72 0.52 -1.25 -1.35 118.95 125.36 1coa s ARG 67 Ca -0.01 0.51 -0.06 0.00 -0.52 0.00 0.00 55.73 55.65 1coa s ARG 67 Cb -0.17 -3.35 -0.02 0.00 0.52 0.00 0.00 34.95 31.93 1coa s ARG 67 CO -0.08 0.38 0.02 -0.51 0.02 0.00 0.00 175.30 175.14 1coa s LEU 68 N -0.11 3.26 -0.39 2.53 1.43 0.24 -4.39 118.68 121.25 1coa s LEU 68 Ca 0.26 -0.25 -0.14 0.00 -1.03 0.00 0.00 54.13 52.98 1coa s LEU 68 Cb -0.16 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.22 1coa s LEU 68 CO 0.13 -0.01 0.27 -0.36 0.23 0.00 0.00 176.35 176.61 1coa s PHE 69 N 1.42 3.24 0.17 0.29 0.40 -1.25 -0.92 117.98 121.32 1coa s PHE 69 Ca 0.05 -0.58 0.05 0.00 -0.60 0.00 0.00 56.93 55.85 1coa s PHE 69 Cb -0.15 -2.54 -0.04 0.00 0.51 0.00 0.00 43.02 40.81 1coa s PHE 69 CO 0.01 -0.55 0.13 0.14 0.70 0.00 0.00 175.22 175.65 1coa s VAL 70 N 1.67 4.47 0.38 -0.44 -7.23 -0.53 -0.71 120.40 118.01 1coa s VAL 70 Ca 0.05 -1.09 -0.01 0.00 -1.81 0.00 0.00 61.98 59.12 1coa s VAL 70 Cb -0.19 -3.28 0.08 0.00 0.56 0.00 0.00 36.38 33.55 1coa s VAL 70 CO 0.09 -0.11 0.52 -0.90 -0.31 0.00 0.00 175.10 174.39 1coa n ASP 71 N -0.35 0.63 0.25 4.85 5.75 -0.52 -1.04 116.55 126.13 1coa n ASP 71 Ca -0.08 -1.55 0.17 0.00 -0.01 0.00 0.00 54.79 53.32 1coa n ASP 71 Cb 0.55 -0.34 0.90 0.00 -1.03 0.00 0.00 41.12 41.20 1coa n ASP 71 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1coa h LYS 72 N 0.00 0.00 -0.59 0.11 1.57 -2.01 0.49 116.57 116.14 1coa h LYS 72 Ca -0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1coa h LYS 72 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1coa h LYS 72 CO 0.18 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.34 1coa n LEU 73 N -2.71 4.38 -3.71 2.94 4.77 -1.26 -4.95 117.00 116.47 1coa n LEU 73 Ca -0.02 -2.40 -0.27 0.00 -0.03 0.00 0.00 56.01 53.29 1coa n LEU 73 Cb 0.08 -0.52 0.05 0.00 -2.33 0.00 0.00 43.42 40.69 1coa n LEU 73 CO 0.16 0.81 0.15 0.47 -1.33 0.00 0.00 177.39 177.65 1coa n ASP 74 N 0.95 -5.50 -4.81 -1.43 8.00 0.16 -4.98 116.55 108.94 1coa n ASP 74 Ca 0.24 -0.64 -0.33 0.00 0.71 0.00 0.00 54.79 54.76 1coa n ASP 74 Cb 0.81 -4.37 -0.07 0.00 -0.02 0.00 0.00 41.12 37.48 1coa n ASP 74 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1coa s ASN 75 N -3.24 5.87 0.04 -2.24 0.01 -1.26 -2.91 114.94 111.22 1coa s ASN 75 Ca 0.60 0.22 -0.30 0.00 -0.71 0.00 0.00 52.86 52.67 1coa s ASN 75 Cb -0.29 -1.74 -0.08 0.00 0.41 0.00 0.00 41.25 39.55 1coa s ASN 75 CO 0.75 0.29 1.78 -0.69 -1.51 0.00 0.00 177.10 177.71 1coa s VAL 76 N -1.19 3.07 -0.08 1.60 1.01 0.11 -1.44 120.40 123.47 1coa s VAL 76 Ca 0.23 0.32 0.21 0.00 0.00 0.00 0.00 61.98 62.74 1coa s VAL 76 Cb -0.12 -3.21 -0.30 0.00 0.00 0.00 0.00 36.38 32.75 1coa s VAL 76 CO 0.14 -0.02 0.42 0.00 0.00 0.00 0.00 175.10 175.63 1coa n ALA 77 N 6.55 2.48 -2.28 5.51 0.00 0.11 0.22 120.51 133.10 1coa n ALA 77 Ca 0.18 -0.70 -0.16 0.00 0.00 0.00 0.00 53.44 52.76 1coa n ALA 77 Cb 0.41 -0.64 -0.10 0.00 0.00 0.00 0.00 19.45 19.12 1coa n ALA 77 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1coa s GLU 78 N -3.26 1.45 -0.23 0.00 -1.05 -1.21 -4.88 118.70 109.51 1coa s GLU 78 Ca -0.08 -1.80 -0.29 0.00 -0.15 0.00 0.00 54.97 52.65 1coa s GLU 78 Cb 0.12 0.03 -0.03 0.00 -0.44 0.00 0.00 34.13 33.81 1coa s GLU 78 CO 0.88 -0.42 1.69 0.08 0.95 0.00 0.00 175.26 178.44 1coa s VAL 79 N -3.79 3.60 0.27 1.83 1.01 -1.26 -4.63 120.40 117.42 1coa s VAL 79 Ca 0.38 0.66 -0.30 0.00 0.00 0.00 0.00 61.98 62.72 1coa s VAL 79 Cb 0.06 -3.64 -0.10 0.00 0.00 0.00 0.00 36.38 32.70 1coa s VAL 79 CO 0.16 -0.29 1.35 -2.84 0.00 0.00 0.00 175.10 173.48 1coa s PRO 80 N 4.92 4.34 0.02 2.72 0.02 -1.26 -4.89 135.00 140.86 1coa s PRO 80 Ca 0.75 2.20 -0.01 0.00 0.02 0.00 0.00 61.00 63.96 1coa s PRO 80 Cb -0.25 -3.12 -0.02 0.00 0.02 0.00 0.00 34.50 31.13 1coa s PRO 80 CO 0.31 -0.28 -0.02 1.03 -0.33 0.00 0.00 177.00 177.71 1coa s ARG 81 N -0.86 0.34 0.36 5.54 0.52 -1.26 -1.35 118.95 122.24 1coa s ARG 81 Ca 0.54 -0.62 -0.26 0.00 -0.52 0.00 0.00 55.73 54.87 1coa s ARG 81 Cb -0.40 0.12 -0.09 0.00 0.52 0.00 0.00 34.95 35.11 1coa s ARG 81 CO 0.46 -0.06 1.13 0.08 0.02 0.00 0.00 175.30 176.92 1coa s VAL 82 N -1.57 3.37 0.00 3.52 1.01 -0.86 -3.87 120.40 122.00 1coa s VAL 82 Ca -0.15 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.04 1coa s VAL 82 Cb -0.09 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1coa s VAL 82 CO -0.01 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.85