#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tm7 s LYS 21 N 0.00 4.33 0.00 2.12 2.20 -1.26 -4.90 119.74 122.22 1tm7 s LYS 21 Ca 0.00 1.71 0.00 0.00 -0.36 0.00 0.00 55.97 57.32 1tm7 s LYS 21 Cb 0.00 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 1tm7 s LYS 21 CO 0.00 -0.50 0.30 0.25 -0.36 0.00 0.00 175.35 175.04 1tm7 n THR 22 N 4.73 0.00 -3.99 3.43 -2.24 -1.26 -4.98 114.28 109.97 1tm7 n THR 22 Ca 0.12 -0.37 -0.09 0.00 -2.27 0.00 0.00 64.05 61.44 1tm7 n THR 22 Cb 0.46 1.21 -0.11 0.00 -2.10 0.00 0.00 70.33 69.79 1tm7 n THR 22 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1tm7 s GLU 23 N -0.14 0.35 -0.48 -0.78 2.02 -1.26 -1.04 118.70 117.36 1tm7 s GLU 23 Ca 0.00 -0.69 0.08 0.00 0.02 0.00 0.00 54.97 54.38 1tm7 s GLU 23 Cb 0.00 0.12 0.27 0.00 0.10 0.00 0.00 34.13 34.62 1tm7 s GLU 23 CO 0.00 -0.06 0.65 0.91 0.02 0.00 0.00 175.26 176.79 1tm7 n TRP 24 N 1.41 1.37 0.28 1.61 8.01 -0.31 -4.94 117.44 124.87 1tm7 n TRP 24 Ca -0.23 -3.82 0.14 0.00 -1.31 0.00 0.00 57.50 52.28 1tm7 n TRP 24 Cb 0.56 -0.44 0.83 0.00 -2.01 0.00 0.00 31.31 30.25 1tm7 n TRP 24 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 1tm7 h PRO 25 N 3.86 0.00 0.00 -0.99 0.13 -1.94 -1.37 132.00 131.69 1tm7 h PRO 25 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1tm7 h PRO 25 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1tm7 h PRO 25 CO 0.62 0.05 0.00 -0.85 -0.23 0.00 0.00 178.00 177.59 1tm7 n GLU 26 N -3.79 0.15 0.01 0.86 0.00 -1.26 -2.48 120.64 114.12 1tm7 n GLU 26 Ca -0.03 0.41 0.13 0.00 0.00 0.00 0.00 57.16 57.67 1tm7 n GLU 26 Cb 0.15 -1.80 0.36 0.00 0.00 0.00 0.00 31.44 30.15 1tm7 n GLU 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1tm7 n LEU 27 N -2.07 0.37 -4.74 -1.84 4.77 -0.51 -4.83 117.00 108.15 1tm7 n LEU 27 Ca 0.02 0.18 -0.42 0.00 -0.03 0.00 0.00 56.01 55.76 1tm7 n LEU 27 Cb 0.19 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 1tm7 n LEU 27 CO 0.17 0.07 1.18 -0.69 -1.33 0.00 0.00 177.39 176.78 1tm7 s VAL 28 N -3.01 2.54 0.00 4.08 1.01 -1.03 -1.63 120.40 122.35 1tm7 s VAL 28 Ca 0.12 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1tm7 s VAL 28 Cb 0.18 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1tm7 s VAL 28 CO 0.65 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.41 1tm7 n GLY 29 N 2.79 1.67 3.92 4.51 0.00 0.18 -4.98 105.19 113.28 1tm7 n GLY 29 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 1tm7 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tm7 s LYS 30 N -0.37 2.64 0.67 1.61 -0.14 -0.65 -4.74 119.74 118.77 1tm7 s LYS 30 Ca 0.00 -0.11 -0.16 0.00 -1.36 0.00 0.00 55.97 54.35 1tm7 s LYS 30 Cb 0.00 -2.23 0.01 0.00 -1.68 0.00 0.00 37.83 33.92 1tm7 s LYS 30 CO 0.00 -0.91 1.16 -1.54 -0.76 0.00 0.00 175.35 173.30 1tm7 s SER 31 N -4.39 4.78 0.43 2.83 1.04 -1.26 -0.47 113.70 116.66 1tm7 s SER 31 Ca 0.56 2.19 0.11 0.00 0.48 0.00 0.00 55.95 59.29 1tm7 s SER 31 Cb -0.11 -2.57 0.98 0.00 0.10 0.00 0.00 66.02 64.42 1tm7 s SER 31 CO 0.45 -1.86 2.04 1.62 0.98 0.00 0.00 173.24 176.47 1tm7 h VAL 32 N 0.05 1.01 -0.19 5.02 3.04 -1.58 -1.65 116.25 121.96 1tm7 h VAL 32 Ca -0.48 -0.15 -0.04 0.00 -1.01 0.00 0.00 66.70 65.03 1tm7 h VAL 32 Cb 1.27 0.55 -0.01 0.00 -2.01 0.00 0.00 31.29 31.09 1tm7 h VAL 32 CO 0.53 0.08 -0.03 -0.33 -1.01 0.00 0.00 177.57 176.81 1tm7 h GLU 33 N 0.43 0.36 -0.66 4.17 3.07 -1.92 -0.98 114.58 119.05 1tm7 h GLU 33 Ca 0.18 -0.13 -0.08 0.00 -0.50 0.00 0.00 59.36 58.84 1tm7 h GLU 33 Cb 0.18 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.04 1tm7 h GLU 33 CO -0.04 0.59 0.11 1.49 -1.40 0.00 0.00 179.01 179.76 1tm7 h GLU 34 N 0.09 1.09 -0.60 2.33 4.81 -1.86 -2.21 114.58 118.23 1tm7 h GLU 34 Ca 0.05 -0.29 0.01 0.00 -0.13 0.00 0.00 59.36 59.00 1tm7 h GLU 34 Cb 0.45 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 1tm7 h GLU 34 CO 0.01 0.99 0.40 0.00 -0.73 0.00 0.00 179.01 179.69 1tm7 h ALA 35 N 1.09 0.76 -0.49 2.92 0.00 -1.06 -0.73 119.26 121.76 1tm7 h ALA 35 Ca 0.20 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1tm7 h ALA 35 Cb 0.43 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1tm7 h ALA 35 CO 0.01 0.19 0.27 0.87 0.00 0.00 0.00 179.25 180.60 1tm7 h LYS 36 N 0.81 0.52 -0.21 0.00 1.57 -0.99 -0.36 116.57 117.91 1tm7 h LYS 36 Ca 0.22 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1tm7 h LYS 36 Cb -0.09 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 1tm7 h LYS 36 CO -0.05 0.35 0.12 -0.22 -0.57 0.00 0.00 179.45 179.07 1tm7 h LYS 37 N 0.54 0.29 -0.14 3.15 3.64 -0.87 -1.51 116.57 121.66 1tm7 h LYS 37 Ca 0.20 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1tm7 h LYS 37 Cb 0.06 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1tm7 h LYS 37 CO -0.11 0.27 0.03 0.28 -2.27 0.00 0.00 179.45 177.65 1tm7 h VAL 38 N 0.23 1.20 -0.82 2.00 2.07 -0.96 -2.23 116.25 117.75 1tm7 h VAL 38 Ca 0.07 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 66.97 1tm7 h VAL 38 Cb 0.06 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 1tm7 h VAL 38 CO -0.01 0.19 0.54 0.40 0.02 0.00 0.00 177.57 178.71 1tm7 h ILE 39 N 0.03 1.19 0.00 4.57 2.04 -0.99 -1.92 117.51 122.43 1tm7 h ILE 39 Ca 0.04 -0.38 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 1tm7 h ILE 39 Cb 0.26 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 1tm7 h ILE 39 CO 0.00 0.20 -0.18 -0.07 0.00 0.00 0.00 178.15 178.11 1tm7 h LEU 40 N 1.09 0.00 -0.47 1.44 3.38 -1.17 0.27 115.31 119.86 1tm7 h LEU 40 Ca 0.31 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.13 1tm7 h LEU 40 Cb -0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1tm7 h LEU 40 CO -0.08 0.18 -0.37 1.56 0.09 0.00 0.00 178.44 179.82 1tm7 h GLN 41 N 0.00 0.87 0.00 1.13 4.20 -0.73 -2.81 115.11 117.77 1tm7 h GLN 41 Ca -0.00 -0.44 -0.22 0.00 0.06 0.00 0.00 58.65 58.04 1tm7 h GLN 41 Cb 0.54 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 1tm7 h GLN 41 CO 0.02 1.09 -1.14 -0.44 -0.67 0.00 0.00 178.83 177.70 1tm7 h ASP 42 N 0.72 0.00 -1.90 1.46 3.32 -0.86 -3.41 116.42 115.75 1tm7 h ASP 42 Ca 0.06 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.61 1tm7 h ASP 42 Cb 0.94 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.15 1tm7 h ASP 42 CO 0.09 0.99 -0.94 1.17 -1.72 0.00 0.00 179.24 178.82 1tm7 n LYS 43 N -3.28 0.46 0.31 3.56 4.81 0.90 -4.94 118.16 119.98 1tm7 n LYS 43 Ca -0.03 -2.96 0.18 0.00 -0.87 0.00 0.00 58.31 54.63 1tm7 n LYS 43 Cb 0.96 -1.46 1.03 0.00 0.02 0.00 0.00 35.03 35.58 1tm7 n LYS 43 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1tm7 h PRO 44 N 4.83 0.00 -0.52 1.64 0.11 -1.70 -0.88 132.00 135.48 1tm7 h PRO 44 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1tm7 h PRO 44 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1tm7 h PRO 44 CO 0.37 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.16 1tm7 n ALA 45 N -2.21 2.48 -1.77 -0.75 0.00 -1.26 -4.98 120.51 112.03 1tm7 n ALA 45 Ca -0.03 -0.91 -0.40 0.00 0.00 0.00 0.00 53.44 52.10 1tm7 n ALA 45 Cb 0.09 -0.97 0.01 0.00 0.00 0.00 0.00 19.45 18.59 1tm7 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tm7 n ALA 46 N 0.95 2.19 -3.05 0.00 0.00 -0.33 -4.96 120.51 115.31 1tm7 n ALA 46 Ca 0.17 0.28 -0.45 0.00 0.00 0.00 0.00 53.44 53.44 1tm7 n ALA 46 Cb 0.45 -2.41 -0.06 0.00 0.00 0.00 0.00 19.45 17.44 1tm7 n ALA 46 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1tm7 s GLN 47 N -2.34 3.01 -0.18 0.00 -0.21 0.46 -4.97 119.66 115.43 1tm7 s GLN 47 Ca 0.58 -1.41 -0.12 0.00 0.02 0.00 0.00 55.36 54.43 1tm7 s GLN 47 Cb -0.46 -4.21 -0.05 0.00 1.00 0.00 0.00 33.01 29.30 1tm7 s GLN 47 CO 0.60 -1.23 0.24 0.42 -2.12 0.00 0.00 175.29 173.19 1tm7 s ILE 48 N 1.91 5.34 -0.07 1.08 1.01 -1.26 -1.48 121.20 127.72 1tm7 s ILE 48 Ca 0.06 0.42 0.03 0.00 0.00 0.00 0.00 60.65 61.16 1tm7 s ILE 48 Cb -0.26 -3.58 0.01 0.00 0.01 0.00 0.00 42.46 38.65 1tm7 s ILE 48 CO 0.06 0.40 -0.16 -0.63 0.00 0.00 0.00 174.94 174.60 1tm7 s ILE 49 N 0.51 1.43 -0.19 2.92 1.09 -0.85 -4.98 121.20 121.12 1tm7 s ILE 49 Ca 0.13 -0.65 -0.14 0.00 -1.10 0.00 0.00 60.65 58.89 1tm7 s ILE 49 Cb -0.12 -1.27 -0.04 0.00 -1.06 0.00 0.00 42.46 39.96 1tm7 s ILE 49 CO 0.02 0.42 0.29 -0.69 -0.10 0.00 0.00 174.94 174.88 1tm7 s VAL 50 N 0.54 5.29 0.10 2.92 1.01 -1.26 -0.65 120.40 128.34 1tm7 s VAL 50 Ca -0.16 0.51 0.04 0.00 0.00 0.00 0.00 61.98 62.37 1tm7 s VAL 50 Cb -0.16 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1tm7 s VAL 50 CO 0.05 0.34 -0.10 -0.76 0.00 0.00 0.00 175.10 174.63 1tm7 s LEU 51 N 0.87 2.40 0.26 3.92 1.43 -0.03 -4.96 118.68 122.58 1tm7 s LEU 51 Ca 0.15 -0.80 -0.29 0.00 -1.03 0.00 0.00 54.13 52.15 1tm7 s LEU 51 Cb -0.14 -0.32 -0.10 0.00 0.03 0.00 0.00 46.19 45.67 1tm7 s LEU 51 CO 0.05 -0.25 1.28 -2.84 0.23 0.00 0.00 176.35 174.82 1tm7 s PRO 52 N -2.75 4.41 0.55 1.29 0.02 -1.26 -1.30 135.00 135.96 1tm7 s PRO 52 Ca 0.05 2.09 -0.21 0.00 0.02 0.00 0.00 61.00 62.95 1tm7 s PRO 52 Cb -0.03 -3.14 -0.05 0.00 0.02 0.00 0.00 34.50 31.30 1tm7 s PRO 52 CO 0.00 -0.16 1.27 0.54 -0.33 0.00 0.00 177.00 178.32 1tm7 s VAL 53 N -0.56 2.43 0.00 3.83 0.11 0.04 -3.07 120.40 123.19 1tm7 s VAL 53 Ca 0.52 0.31 0.00 0.00 -2.93 0.00 0.00 61.98 59.87 1tm7 s VAL 53 Cb -0.37 -3.14 0.00 0.00 -1.53 0.00 0.00 36.38 31.33 1tm7 s VAL 53 CO 0.44 -0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.80 1tm7 n GLY 54 N 0.63 0.50 3.98 6.54 0.00 -1.26 -4.97 105.19 110.61 1tm7 n GLY 54 Ca 0.11 -0.54 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 1tm7 n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1tm7 s THR 55 N -2.00 3.75 0.01 2.61 -4.23 -1.17 -5.11 115.64 109.50 1tm7 s THR 55 Ca 0.00 -0.79 -0.09 0.00 -1.18 0.00 0.00 61.69 59.63 1tm7 s THR 55 Cb 0.00 -3.33 -0.05 0.00 1.34 0.00 0.00 72.50 70.45 1tm7 s THR 55 CO 0.00 -0.18 0.32 -0.63 -0.54 0.00 0.00 174.62 173.59 1tm7 s ILE 56 N -2.40 5.21 0.13 2.99 -1.09 -1.26 -5.11 121.20 119.67 1tm7 s ILE 56 Ca 0.49 0.39 0.01 0.00 -2.23 0.00 0.00 60.65 59.31 1tm7 s ILE 56 Cb -0.10 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.14 1tm7 s ILE 56 CO 0.35 0.42 -0.03 0.68 -1.23 0.00 0.00 174.94 175.13 1tm7 s VAL 57 N -1.25 0.61 0.49 2.92 -7.23 -1.26 -5.14 120.40 109.55 1tm7 s VAL 57 Ca 0.27 -1.94 -0.24 0.00 -1.81 0.00 0.00 61.98 58.26 1tm7 s VAL 57 Cb -0.14 -1.87 -0.07 0.00 0.56 0.00 0.00 36.38 34.86 1tm7 s VAL 57 CO 0.15 -0.69 1.35 0.42 -0.31 0.00 0.00 175.10 176.01 1tm7 s THR 58 N -3.69 2.27 -0.55 5.32 -4.23 -1.26 -4.96 115.64 108.55 1tm7 s THR 58 Ca 0.17 0.22 0.01 0.00 -1.18 0.00 0.00 61.69 60.91 1tm7 s THR 58 Cb 0.06 -3.12 0.45 0.00 1.34 0.00 0.00 72.50 71.23 1tm7 s THR 58 CO -0.01 0.01 1.75 -1.22 -0.54 0.00 0.00 174.62 174.61 1tm7 n TYR 59 N -0.55 3.07 -2.93 3.99 4.01 -1.26 -4.96 117.16 118.53 1tm7 n TYR 59 Ca 0.07 -2.75 -0.28 0.00 -0.16 0.00 0.00 57.90 54.79 1tm7 n TYR 59 Cb 0.44 -1.06 -0.01 0.00 -0.31 0.00 0.00 39.34 38.39 1tm7 n TYR 59 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 1tm7 s GLU 60 N -3.76 3.59 -0.23 -0.72 1.03 -1.26 -5.08 118.70 112.28 1tm7 s GLU 60 Ca 0.60 0.13 -0.04 0.00 0.03 0.00 0.00 54.97 55.68 1tm7 s GLU 60 Cb 0.47 -2.47 -0.01 0.00 -0.80 0.00 0.00 34.13 31.32 1tm7 s GLU 60 CO -0.01 -0.04 -0.02 -0.47 -1.33 0.00 0.00 175.26 173.39 1tm7 s TYR 61 N -2.48 3.00 -0.27 4.83 5.04 -1.26 -5.02 117.35 121.19 1tm7 s TYR 61 Ca 0.46 -0.95 0.02 0.00 -2.44 0.00 0.00 57.07 54.16 1tm7 s TYR 61 Cb -0.10 -2.13 0.07 0.00 0.35 0.00 0.00 41.96 40.15 1tm7 s TYR 61 CO 0.38 -0.55 -0.03 1.03 -1.34 0.00 0.00 175.55 175.04 1tm7 s ARG 62 N 1.48 1.67 0.58 4.97 0.52 0.06 -5.00 118.95 123.23 1tm7 s ARG 62 Ca 0.05 -1.26 0.35 0.00 -0.52 0.00 0.00 55.73 54.35 1tm7 s ARG 62 Cb -0.15 -2.73 1.72 0.00 0.52 0.00 0.00 34.95 34.31 1tm7 s ARG 62 CO -0.02 -0.69 2.14 0.97 0.02 0.00 0.00 175.30 177.71 1tm7 h ILE 63 N 6.67 0.23 0.00 1.52 2.10 -1.95 -1.89 117.51 124.19 1tm7 h ILE 63 Ca -0.15 -0.37 0.00 0.00 1.08 0.00 0.00 64.86 65.42 1tm7 h ILE 63 Cb 1.05 1.29 0.00 0.00 -1.09 0.00 0.00 36.82 38.07 1tm7 h ILE 63 CO 0.45 0.05 -0.46 0.47 -1.08 0.00 0.00 178.15 177.58 1tm7 n ASP 64 N -3.31 0.49 -4.88 2.19 8.00 -1.26 -4.67 116.55 113.10 1tm7 n ASP 64 Ca -0.01 -0.04 -0.35 0.00 0.71 0.00 0.00 54.79 55.10 1tm7 n ASP 64 Cb 0.21 0.11 -0.05 0.00 -0.02 0.00 0.00 41.12 41.36 1tm7 n ASP 64 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1tm7 s ARG 65 N -3.05 3.56 -0.21 -1.24 3.52 -0.72 -0.41 118.95 120.41 1tm7 s ARG 65 Ca 0.10 -0.09 -0.01 0.00 -0.13 0.00 0.00 55.73 55.60 1tm7 s ARG 65 Cb 0.17 -3.10 0.06 0.00 -1.56 0.00 0.00 34.95 30.51 1tm7 s ARG 65 CO 0.68 0.67 0.00 0.08 -0.81 0.00 0.00 175.30 175.92 1tm7 s VAL 66 N -1.25 0.89 0.11 7.11 1.01 -0.55 -0.95 120.40 126.77 1tm7 s VAL 66 Ca 0.25 -0.78 -0.27 0.00 0.00 0.00 0.00 61.98 61.18 1tm7 s VAL 66 Cb -0.13 -1.30 -0.06 0.00 0.00 0.00 0.00 36.38 34.89 1tm7 s VAL 66 CO 0.14 -0.15 0.86 -0.13 0.00 0.00 0.00 175.10 175.82 1tm7 s ARG 67 N 1.69 4.62 -0.22 2.72 0.52 -1.26 -2.02 118.95 125.01 1tm7 s ARG 67 Ca -0.02 1.27 -0.02 0.00 -0.52 0.00 0.00 55.73 56.44 1tm7 s ARG 67 Cb -0.18 -3.35 0.01 0.00 0.52 0.00 0.00 34.95 31.96 1tm7 s ARG 67 CO -0.07 0.32 -0.08 -0.51 0.02 0.00 0.00 175.30 174.98 1tm7 s LEU 68 N -0.30 2.83 -0.33 2.53 1.43 0.17 -4.46 118.68 120.55 1tm7 s LEU 68 Ca 0.42 -0.59 -0.15 0.00 -1.03 0.00 0.00 54.13 52.77 1tm7 s LEU 68 Cb -0.23 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 1tm7 s LEU 68 CO 0.27 -0.05 0.36 -0.36 0.23 0.00 0.00 176.35 176.80 1tm7 s PHE 69 N 1.39 3.21 0.07 0.29 0.08 -1.26 -0.85 117.98 120.92 1tm7 s PHE 69 Ca 0.04 0.04 0.05 0.00 0.12 0.00 0.00 56.93 57.18 1tm7 s PHE 69 Cb -0.15 -2.66 -0.04 0.00 -0.57 0.00 0.00 43.02 39.61 1tm7 s PHE 69 CO -0.06 -0.40 -0.06 0.14 -0.10 0.00 0.00 175.22 174.74 1tm7 s VAL 70 N 2.03 3.63 0.78 -0.44 -7.23 -0.42 -0.89 120.40 117.87 1tm7 s VAL 70 Ca 0.12 -1.04 -0.13 0.00 -1.81 0.00 0.00 61.98 59.12 1tm7 s VAL 70 Cb -0.16 -2.67 0.18 0.00 0.56 0.00 0.00 36.38 34.29 1tm7 s VAL 70 CO 0.11 0.20 0.94 -0.90 -0.31 0.00 0.00 175.10 175.14 1tm7 n ASP 71 N 0.92 -0.48 0.00 4.85 5.68 -0.13 -0.78 116.55 126.61 1tm7 n ASP 71 Ca -0.13 -1.25 0.09 0.00 -0.50 0.00 0.00 54.79 53.00 1tm7 n ASP 71 Cb 0.52 -0.75 0.39 0.00 -1.14 0.00 0.00 41.12 40.15 1tm7 n ASP 71 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1tm7 n ARG 72 N -3.35 0.02 0.00 0.11 1.85 -1.26 -1.71 116.66 112.32 1tm7 n ARG 72 Ca 0.12 0.18 0.13 0.00 -1.00 0.00 0.00 57.85 57.28 1tm7 n ARG 72 Cb 0.43 -1.50 0.34 0.00 -1.05 0.00 0.00 32.46 30.68 1tm7 n ARG 72 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1tm7 n LEU 73 N -1.49 1.69 -0.97 2.89 4.77 -1.26 -4.96 117.00 117.67 1tm7 n LEU 73 Ca 0.05 -0.55 -0.09 0.00 -0.03 0.00 0.00 56.01 55.39 1tm7 n LEU 73 Cb 0.21 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.25 1tm7 n LEU 73 CO 0.17 0.29 -0.11 0.47 -1.33 0.00 0.00 177.39 176.88 1tm7 n ASP 74 N 0.10 -3.38 -4.92 -1.43 9.92 -0.69 -5.01 116.55 111.14 1tm7 n ASP 74 Ca 0.15 0.04 -0.26 0.00 -0.53 0.00 0.00 54.79 54.19 1tm7 n ASP 74 Cb 0.41 -2.44 -0.04 0.00 -0.64 0.00 0.00 41.12 38.41 1tm7 n ASP 74 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1tm7 s ASN 75 N -2.66 6.20 0.09 -2.24 0.01 -1.26 -1.44 114.94 113.64 1tm7 s ASN 75 Ca 0.00 0.13 -0.31 0.00 -0.71 0.00 0.00 52.86 51.97 1tm7 s ASN 75 Cb 0.00 -1.83 -0.07 0.00 0.41 0.00 0.00 41.25 39.76 1tm7 s ASN 75 CO 0.00 0.06 1.35 -0.63 -1.51 0.00 0.00 177.10 176.37 1tm7 s ILE 76 N -1.72 3.51 -0.55 0.60 -1.09 0.38 -0.96 121.20 121.36 1tm7 s ILE 76 Ca 0.34 1.07 0.05 0.00 -2.23 0.00 0.00 60.65 59.88 1tm7 s ILE 76 Cb -0.11 -3.69 0.03 0.00 -1.58 0.00 0.00 42.46 37.12 1tm7 s ILE 76 CO 0.28 0.08 0.62 0.00 -1.23 0.00 0.00 174.94 174.68 1tm7 n ALA 77 N 4.05 2.49 -3.26 9.38 0.00 -0.06 -0.65 120.51 132.46 1tm7 n ALA 77 Ca 0.11 -0.51 -0.14 0.00 0.00 0.00 0.00 53.44 52.90 1tm7 n ALA 77 Cb 0.43 -0.15 -0.08 0.00 0.00 0.00 0.00 19.45 19.64 1tm7 n ALA 77 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1tm7 s GLN 78 N -0.44 0.69 -0.02 0.00 0.74 -1.25 -4.99 119.66 114.38 1tm7 s GLN 78 Ca 0.05 -0.13 -0.30 0.00 0.05 0.00 0.00 55.36 55.03 1tm7 s GLN 78 Cb 0.04 0.31 -0.07 0.00 1.10 0.00 0.00 33.01 34.39 1tm7 s GLN 78 CO 0.06 -0.19 1.76 0.08 -0.55 0.00 0.00 175.29 176.46 1tm7 s VAL 79 N -1.26 3.38 0.33 1.34 1.01 -1.26 -4.73 120.40 119.22 1tm7 s VAL 79 Ca -0.13 0.47 -0.29 0.00 0.00 0.00 0.00 61.98 62.04 1tm7 s VAL 79 Cb -0.05 -3.30 -0.10 0.00 0.00 0.00 0.00 36.38 32.92 1tm7 s VAL 79 CO 0.05 -0.04 1.37 -2.84 0.00 0.00 0.00 175.10 173.64 1tm7 s PRO 80 N 4.16 4.27 0.05 2.72 0.02 -1.26 -4.88 135.00 140.08 1tm7 s PRO 80 Ca 0.78 2.33 -0.07 0.00 0.02 0.00 0.00 61.00 64.06 1tm7 s PRO 80 Cb -0.37 -3.05 -0.01 0.00 0.02 0.00 0.00 34.50 31.10 1tm7 s PRO 80 CO 0.34 -0.31 0.14 -0.98 -0.33 0.00 0.00 177.00 175.85 1tm7 s ARG 81 N -1.71 0.68 0.37 5.54 1.70 -1.26 -1.16 118.95 123.11 1tm7 s ARG 81 Ca 0.51 -0.82 -0.27 0.00 -0.47 0.00 0.00 55.73 54.69 1tm7 s ARG 81 Cb -0.42 0.27 -0.09 0.00 -0.57 0.00 0.00 34.95 34.14 1tm7 s ARG 81 CO 0.55 -0.19 1.27 0.14 -1.08 0.00 0.00 175.30 175.98 1tm7 s VAL 82 N -3.04 2.82 0.00 4.99 -7.23 -0.21 -4.17 120.40 113.56 1tm7 s VAL 82 Ca -0.01 0.76 0.00 0.00 -1.81 0.00 0.00 61.98 60.92 1tm7 s VAL 82 Cb 0.01 -3.46 0.00 0.00 0.56 0.00 0.00 36.38 33.49 1tm7 s VAL 82 CO -0.07 0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.47