#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x7v n HIS 0 N 0.00 0.00 -3.75 1.61 -0.00 -1.26 -5.32 115.22 106.50 1x7v n HIS 0 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.62 1x7v n HIS 0 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 29.93 1x7v n HIS 0 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1x7v s SER 2 N 1.04 -0.07 0.19 0.26 0.01 -1.26 -5.22 113.70 108.64 1x7v s SER 2 Ca 0.00 -0.38 -0.32 0.00 1.31 0.00 0.00 55.95 56.56 1x7v s SER 2 Cb 0.00 0.39 -0.12 0.00 0.21 0.00 0.00 66.02 66.50 1x7v s SER 2 CO 0.00 -0.72 1.75 -0.89 0.41 0.00 0.00 173.24 173.79 1x7v s THR 3 N -3.35 2.14 0.77 1.44 2.01 -1.26 -4.94 115.64 112.46 1x7v s THR 3 Ca 0.01 0.02 -0.14 0.00 0.31 0.00 0.00 61.69 61.89 1x7v s THR 3 Cb 0.02 -3.01 0.06 0.00 0.01 0.00 0.00 72.50 69.58 1x7v s THR 3 CO -0.08 0.00 1.20 -2.84 -0.69 0.00 0.00 174.62 172.21 1x7v s PRO 4 N 1.57 1.86 -0.29 4.92 0.02 -1.26 -4.92 135.00 136.90 1x7v s PRO 4 Ca 0.76 1.75 -0.27 0.00 0.02 0.00 0.00 61.00 63.26 1x7v s PRO 4 Cb -0.49 -1.80 0.01 0.00 0.02 0.00 0.00 34.50 32.24 1x7v s PRO 4 CO 0.33 -2.04 0.96 -1.17 -0.33 0.00 0.00 177.00 174.74 1x7v s LEU 5 N -5.47 4.03 -0.10 -5.54 2.96 -0.16 -4.53 118.68 109.87 1x7v s LEU 5 Ca 0.73 1.00 -0.14 0.00 -0.22 0.00 0.00 54.13 55.50 1x7v s LEU 5 Cb -0.29 -3.37 -0.05 0.00 0.50 0.00 0.00 46.19 42.99 1x7v s LEU 5 CO 0.48 -0.72 0.35 -0.89 -1.32 0.00 0.00 176.35 174.26 1x7v s THR 6 N 3.27 5.21 -0.04 3.68 2.01 0.05 -1.12 115.64 128.70 1x7v s THR 6 Ca 0.40 0.69 0.07 0.00 0.31 0.00 0.00 61.69 63.16 1x7v s THR 6 Cb -0.14 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 1x7v s THR 6 CO 0.12 0.46 -0.26 -0.76 -0.69 0.00 0.00 174.62 173.49 1x7v s LEU 7 N -0.14 2.06 -0.20 4.42 1.02 -0.18 -0.80 118.68 124.86 1x7v s LEU 7 Ca 0.21 -0.49 -0.00 0.00 0.02 0.00 0.00 54.13 53.86 1x7v s LEU 7 Cb -0.14 -1.36 0.02 0.00 0.02 0.00 0.00 46.19 44.73 1x7v s LEU 7 CO 0.08 0.28 -0.14 -0.63 0.02 0.00 0.00 176.35 175.97 1x7v s ILE 8 N -0.39 2.49 -0.25 -0.59 1.01 -0.57 -0.62 121.20 122.29 1x7v s ILE 8 Ca 0.03 -0.90 -0.09 0.00 0.00 0.00 0.00 60.65 59.70 1x7v s ILE 8 Cb -0.12 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 1x7v s ILE 8 CO 0.01 0.42 0.12 0.00 0.00 0.00 0.00 174.94 175.49 1x7v s ALA 9 N 1.33 3.38 -0.28 9.38 0.00 -1.26 -0.85 121.76 133.46 1x7v s ALA 9 Ca 0.04 -1.02 -0.07 0.00 0.00 0.00 0.00 51.96 50.91 1x7v s ALA 9 Cb -0.14 -2.21 -0.00 0.00 0.00 0.00 0.00 23.12 20.77 1x7v s ALA 9 CO -0.09 -0.35 0.07 0.99 0.00 0.00 0.00 175.76 176.38 1x7v s THR 10 N 1.37 4.05 -0.18 0.00 2.01 0.11 -4.19 115.64 118.80 1x7v s THR 10 Ca 0.06 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.54 1x7v s THR 10 Cb -0.15 -3.02 0.03 0.00 0.01 0.00 0.00 72.50 69.37 1x7v s THR 10 CO 0.06 0.17 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.36 1x7v s ILE 11 N 1.53 1.82 -0.24 1.82 1.01 -0.30 -0.60 121.20 126.25 1x7v s ILE 11 Ca 0.04 -0.88 -0.07 0.00 0.00 0.00 0.00 60.65 59.74 1x7v s ILE 11 Cb -0.16 -1.72 -0.03 0.00 0.01 0.00 0.00 42.46 40.55 1x7v s ILE 11 CO 0.03 0.41 0.06 -0.89 0.00 0.00 0.00 174.94 174.55 1x7v s THR 12 N 1.37 4.24 0.38 2.92 2.01 -0.21 -1.07 115.64 125.27 1x7v s THR 12 Ca 0.03 -0.20 -0.26 0.00 0.31 0.00 0.00 61.69 61.57 1x7v s THR 12 Cb -0.14 -2.97 -0.09 0.00 0.01 0.00 0.00 72.50 69.31 1x7v s THR 12 CO -0.11 0.36 1.18 0.00 -0.69 0.00 0.00 174.62 175.36 1x7v s ALA 13 N 1.51 3.23 0.54 7.40 0.00 0.31 -0.75 121.76 133.99 1x7v s ALA 13 Ca 0.06 1.00 -0.21 0.00 0.00 0.00 0.00 51.96 52.81 1x7v s ALA 13 Cb -0.15 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 1x7v s ALA 13 CO 0.03 -0.50 1.21 0.00 0.00 0.00 0.00 175.76 176.50 1x7v s ALA 14 N -1.35 2.75 0.05 0.00 0.00 0.35 -4.51 121.76 119.05 1x7v s ALA 14 Ca 0.55 1.01 -0.37 0.00 0.00 0.00 0.00 51.96 53.15 1x7v s ALA 14 Cb -0.32 -3.43 -0.16 0.00 0.00 0.00 0.00 23.12 19.20 1x7v s ALA 14 CO 0.41 -0.97 1.41 -2.30 0.00 0.00 0.00 175.76 174.30 1x7v n PRO 15 N -1.11 1.25 -0.72 0.00 -0.02 -1.26 -1.50 135.00 131.64 1x7v n PRO 15 Ca 0.11 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1x7v n PRO 15 Cb 0.49 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1x7v n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x7v n GLY 16 N 2.79 0.79 0.13 -1.23 0.00 -1.26 -4.94 105.19 101.48 1x7v n GLY 16 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.29 1x7v n GLY 16 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1x7v n HIS 17 N -2.22 0.00 0.15 1.61 8.25 -0.56 -4.80 115.22 117.65 1x7v n HIS 17 Ca 0.00 -0.80 0.01 0.00 -0.26 0.00 0.00 57.72 56.67 1x7v n HIS 17 Cb 0.00 -0.13 0.31 0.00 1.12 0.00 0.00 29.99 31.29 1x7v n HIS 17 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x7v h ALA 18 N 0.00 1.29 -0.14 -1.41 0.00 -1.90 -1.36 119.26 115.74 1x7v h ALA 18 Ca 0.00 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 1x7v h ALA 18 Cb 1.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1x7v h ALA 18 CO 0.00 0.51 -0.40 0.93 0.00 0.00 0.00 179.25 180.30 1x7v h GLU 19 N 0.07 0.52 -0.60 0.00 4.39 -1.93 -0.04 114.58 116.99 1x7v h GLU 19 Ca 0.00 -0.37 -0.03 0.00 0.34 0.00 0.00 59.36 59.31 1x7v h GLU 19 Cb 0.71 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.40 1x7v h GLU 19 CO 0.05 0.99 0.26 0.00 -1.16 0.00 0.00 179.01 179.16 1x7v h ALA 20 N 0.53 0.77 -0.32 3.43 0.00 -1.89 -1.68 119.26 120.10 1x7v h ALA 20 Ca -0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1x7v h ALA 20 Cb 1.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1x7v h ALA 20 CO 0.09 0.36 0.06 1.25 0.00 0.00 0.00 179.25 181.01 1x7v h LEU 21 N 0.82 0.50 -0.69 0.00 5.85 -1.21 -1.15 115.31 119.44 1x7v h LEU 21 Ca 0.20 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1x7v h LEU 21 Cb 0.16 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1x7v h LEU 21 CO -0.02 0.62 0.43 -0.08 -0.34 0.00 0.00 178.44 179.06 1x7v h GLU 22 N 0.36 0.92 -0.67 1.25 4.81 -0.75 0.13 114.58 120.64 1x7v h GLU 22 Ca 0.10 -0.07 0.11 0.00 -0.13 0.00 0.00 59.36 59.38 1x7v h GLU 22 Cb 0.33 -0.20 -0.08 0.00 0.63 0.00 0.00 28.75 29.42 1x7v h GLU 22 CO 0.00 0.63 0.25 -0.09 -0.73 0.00 0.00 179.01 179.07 1x7v h ARG 23 N 0.93 0.40 -0.11 1.92 2.43 -1.15 0.92 114.38 119.72 1x7v h ARG 23 Ca 0.25 -0.02 -0.18 0.00 -0.81 0.00 0.00 59.98 59.21 1x7v h ARG 23 Cb -0.07 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1x7v h ARG 23 CO -0.05 0.26 -0.70 0.93 -1.51 0.00 0.00 179.97 178.90 1x7v h GLU 24 N 0.41 0.48 -0.24 0.20 4.39 0.28 -2.92 114.58 117.17 1x7v h GLU 24 Ca 0.35 -0.37 -0.20 0.00 0.34 0.00 0.00 59.36 59.48 1x7v h GLU 24 Cb 0.48 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1x7v h GLU 24 CO -0.36 1.00 -0.63 -0.07 -1.16 0.00 0.00 179.01 177.79 1x7v h LEU 25 N 0.33 0.96 -1.18 1.33 3.38 -0.59 -3.19 115.31 116.36 1x7v h LEU 25 Ca -0.03 -0.56 0.05 0.00 0.09 0.00 0.00 57.88 57.44 1x7v h LEU 25 Cb 1.28 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.70 1x7v h LEU 25 CO 0.13 1.36 0.57 0.03 0.09 0.00 0.00 178.44 180.61 1x7v h ARG 26 N 0.62 1.01 -0.28 1.13 3.08 -0.80 -1.82 114.38 117.32 1x7v h ARG 26 Ca -0.01 -0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.06 1x7v h ARG 26 Cb 1.25 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 31.06 1x7v h ARG 26 CO 0.14 0.66 0.24 0.00 -1.07 0.00 0.00 179.97 179.94 1x7v h ALA 27 N 1.51 2.09 0.00 0.04 0.00 -1.50 -2.32 119.26 119.08 1x7v h ALA 27 Ca 0.36 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 1x7v h ALA 27 Cb 0.11 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1x7v h ALA 27 CO -0.12 -0.38 -0.23 -0.07 0.00 0.00 0.00 179.25 178.45 1x7v h LEU 28 N 0.00 0.00 0.18 0.00 3.38 -1.37 -3.40 115.31 114.10 1x7v h LEU 28 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1x7v h LEU 28 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1x7v h LEU 28 CO -0.00 0.23 -0.09 0.58 0.09 0.00 0.00 178.44 179.25 1x7v h VAL 29 N 0.00 0.93 -0.10 1.22 2.07 -1.47 -1.19 116.25 117.70 1x7v h VAL 29 Ca -0.00 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 1x7v h VAL 29 Cb 1.02 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1x7v h VAL 29 CO 0.03 0.18 0.01 0.00 0.02 0.00 0.00 177.57 177.81 1x7v h ALA 30 N 0.02 0.13 -0.38 1.67 0.00 -1.78 -0.03 119.26 118.90 1x7v h ALA 30 Ca -0.02 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1x7v h ALA 30 Cb 0.48 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1x7v h ALA 30 CO 0.04 -0.21 0.05 -1.35 0.00 0.00 0.00 179.25 177.78 1x7v h PRO 31 N -0.07 0.58 -0.20 0.00 0.11 -1.79 -2.16 132.00 128.46 1x7v h PRO 31 Ca 0.03 -0.11 -0.08 0.00 0.11 0.00 0.00 66.00 65.95 1x7v h PRO 31 Cb 0.30 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.31 1x7v h PRO 31 CO 0.00 0.57 -0.18 0.77 -0.21 0.00 0.00 178.00 178.95 1x7v h SER 32 N 0.56 0.50 -0.88 -2.05 0.02 -0.87 -2.84 113.55 108.00 1x7v h SER 32 Ca 0.12 -0.47 0.17 0.00 -0.84 0.00 0.00 61.79 60.78 1x7v h SER 32 Cb 0.28 -0.14 -0.07 0.00 0.14 0.00 0.00 62.40 62.62 1x7v h SER 32 CO 0.00 0.87 0.57 0.03 -1.14 0.00 0.00 176.83 177.16 1x7v h ARG 33 N 0.14 0.51 0.00 3.45 3.08 -0.84 -2.43 114.38 118.29 1x7v h ARG 33 Ca 0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1x7v h ARG 33 Cb 0.72 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 1x7v h ARG 33 CO 0.05 0.33 -0.05 0.00 -1.07 0.00 0.00 179.97 179.23 1x7v h ALA 34 N 1.62 0.99 -2.83 0.04 0.00 -1.15 -3.44 119.26 114.48 1x7v h ALA 34 Ca 0.45 -0.04 -0.53 0.00 0.00 0.00 0.00 54.91 54.79 1x7v h ALA 34 Cb 0.96 -0.01 0.09 0.00 0.00 0.00 0.00 17.79 18.83 1x7v h ALA 34 CO -0.19 0.06 0.88 -1.21 0.00 0.00 0.00 179.25 178.79 1x7v s GLU 35 N -3.51 4.10 0.27 0.00 2.02 -0.91 -4.86 118.70 115.81 1x7v s GLU 35 Ca 0.03 2.61 0.01 0.00 0.02 0.00 0.00 54.97 57.63 1x7v s GLU 35 Cb 0.08 -3.00 0.62 0.00 0.10 0.00 0.00 34.13 31.92 1x7v s GLU 35 CO 0.60 -0.64 1.72 0.00 0.02 0.00 0.00 175.26 176.96 1x7v h ALA 36 N 4.49 1.32 -0.16 5.21 0.00 -1.89 -1.19 119.26 127.03 1x7v h ALA 36 Ca -0.48 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1x7v h ALA 36 Cb 1.22 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1x7v h ALA 36 CO 0.77 -0.24 0.00 0.41 0.00 0.00 0.00 179.25 180.19 1x7v n GLY 37 N -1.33 0.12 3.63 0.00 0.00 -1.26 -4.88 105.19 101.46 1x7v n GLY 37 Ca 0.19 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 1x7v n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x7v n LEU 39 N 5.17 0.50 -3.63 0.00 4.77 0.47 -4.87 117.00 119.40 1x7v n LEU 39 Ca -0.07 0.20 -0.12 0.00 -0.03 0.00 0.00 56.01 55.99 1x7v n LEU 39 Cb 0.50 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.51 1x7v n LEU 39 CO 0.39 -0.08 0.58 -1.58 -1.33 0.00 0.00 177.39 175.37 1x7v s GLN 40 N -3.38 0.68 -0.33 3.23 0.74 -1.12 -4.86 119.66 114.62 1x7v s GLN 40 Ca -0.04 0.80 0.04 0.00 0.05 0.00 0.00 55.36 56.21 1x7v s GLN 40 Cb 0.11 0.33 0.17 0.00 1.10 0.00 0.00 33.01 34.72 1x7v s GLN 40 CO 0.84 -0.08 0.49 -0.47 -0.55 0.00 0.00 175.29 175.51 1x7v s TYR 41 N 0.29 -1.20 -0.07 1.67 5.04 -1.25 -1.12 117.35 120.70 1x7v s TYR 41 Ca 0.01 0.25 0.03 0.00 -2.44 0.00 0.00 57.07 54.93 1x7v s TYR 41 Cb -0.05 -0.01 0.00 0.00 0.35 0.00 0.00 41.96 42.26 1x7v s TYR 41 CO -0.02 -1.05 -0.18 -0.51 -1.34 0.00 0.00 175.55 172.45 1x7v s ASP 42 N 2.25 2.43 -0.16 4.32 1.01 -0.49 -4.82 116.67 121.21 1x7v s ASP 42 Ca 0.12 -0.42 -0.08 0.00 0.71 0.00 0.00 52.55 52.88 1x7v s ASP 42 Cb -0.11 -1.02 -0.04 0.00 1.01 0.00 0.00 42.92 42.76 1x7v s ASP 42 CO -0.20 0.11 0.13 -0.22 0.21 0.00 0.00 175.17 175.21 1x7v s LEU 43 N 0.39 4.26 0.07 1.23 2.96 -1.26 -0.88 118.68 125.43 1x7v s LEU 43 Ca -0.14 0.33 0.03 0.00 -0.22 0.00 0.00 54.13 54.13 1x7v s LEU 43 Cb -0.16 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 1x7v s LEU 43 CO 0.06 0.29 -0.09 -1.00 -1.32 0.00 0.00 176.35 174.29 1x7v s HIS 44 N -0.32 0.85 -0.09 5.38 3.76 0.29 -4.99 115.29 120.16 1x7v s HIS 44 Ca 0.11 -0.60 -0.02 0.00 -0.15 0.00 0.00 55.06 54.40 1x7v s HIS 44 Cb -0.12 -0.49 -0.03 0.00 1.11 0.00 0.00 32.58 33.05 1x7v s HIS 44 CO 0.01 -0.07 0.00 -1.14 -0.85 0.00 0.00 174.74 172.70 1x7v s GLN 45 N -2.26 3.02 0.28 1.40 0.74 -1.26 -0.56 119.66 121.02 1x7v s GLN 45 Ca -0.02 -0.41 -0.29 0.00 0.05 0.00 0.00 55.36 54.69 1x7v s GLN 45 Cb -0.06 -2.80 -0.13 0.00 1.10 0.00 0.00 33.01 31.12 1x7v s GLN 45 CO -0.00 0.68 1.25 -3.47 -0.55 0.00 0.00 175.29 173.20 1x7v n ASP 46 N 2.21 2.29 0.05 6.67 2.03 -0.10 -4.91 116.55 124.79 1x7v n ASP 46 Ca -0.19 1.17 0.03 0.00 0.52 0.00 0.00 54.79 56.33 1x7v n ASP 46 Cb 0.54 -1.40 0.41 0.00 -0.72 0.00 0.00 41.12 39.95 1x7v n ASP 46 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1x7v h ARG 47 N 3.04 0.41 0.00 -0.67 2.43 -1.99 -3.30 114.38 114.31 1x7v h ARG 47 Ca -0.44 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1x7v h ARG 47 Cb 1.30 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 1x7v h ARG 47 CO 0.67 0.37 -0.04 0.72 -1.51 0.00 0.00 179.97 180.18 1x7v n HIS 48 N -4.39 0.00 -3.45 2.20 8.25 -1.26 -4.96 115.22 111.62 1x7v n HIS 48 Ca 0.01 -0.52 -0.13 0.00 -0.26 0.00 0.00 57.72 56.82 1x7v n HIS 48 Cb 0.15 -0.07 -0.11 0.00 1.12 0.00 0.00 29.99 31.09 1x7v n HIS 48 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1x7v s ASP 49 N -1.33 0.73 0.46 0.41 -1.08 -1.24 -5.04 116.67 109.58 1x7v s ASP 49 Ca 0.08 0.08 0.32 0.00 -0.52 0.00 0.00 52.55 52.51 1x7v s ASP 49 Cb 0.07 0.77 1.50 0.00 -1.46 0.00 0.00 42.92 43.80 1x7v s ASP 49 CO 0.01 -0.30 1.95 0.77 0.52 0.00 0.00 175.17 178.11 1x7v h SER 50 N 8.25 0.00 -0.03 -0.34 4.64 -1.93 -2.48 113.55 121.67 1x7v h SER 50 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1x7v h SER 50 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1x7v h SER 50 CO 0.26 0.00 -0.00 1.41 -0.87 0.00 0.00 176.83 177.63 1x7v n HIS 51 N -2.71 0.00 -4.02 4.77 8.25 -1.26 -4.88 115.22 115.36 1x7v n HIS 51 Ca -0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 1x7v n HIS 51 Cb 0.17 -0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.18 1x7v n HIS 51 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1x7v s LEU 52 N -2.00 3.75 0.18 2.41 1.43 -0.93 -0.53 118.68 122.99 1x7v s LEU 52 Ca 0.30 0.05 0.07 0.00 -1.03 0.00 0.00 54.13 53.52 1x7v s LEU 52 Cb 0.20 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 1x7v s LEU 52 CO 0.31 0.16 -0.14 -0.36 0.23 0.00 0.00 176.35 176.55 1x7v s PHE 53 N 0.44 1.63 0.00 0.29 0.40 -0.23 -0.92 117.98 119.58 1x7v s PHE 53 Ca 0.03 -0.58 0.00 0.00 -0.60 0.00 0.00 56.93 55.78 1x7v s PHE 53 Cb -0.13 -0.78 0.00 0.00 0.51 0.00 0.00 43.02 42.62 1x7v s PHE 53 CO 0.01 0.29 0.00 0.66 0.70 0.00 0.00 175.22 176.88 1x7v n TYR 54 N -0.14 0.00 -3.44 0.36 4.02 0.28 -1.15 117.16 117.10 1x7v n TYR 54 Ca -0.10 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.80 1x7v n TYR 54 Cb 0.59 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.87 1x7v n TYR 54 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1x7v s ILE 56 N -1.16 -0.45 0.07 -0.72 1.01 -0.06 -0.55 121.20 119.34 1x7v s ILE 56 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 60.65 60.70 1x7v s ILE 56 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 1x7v s ILE 56 CO 0.00 0.00 -0.13 -1.61 0.00 0.00 0.00 174.94 173.20 1x7v s GLU 57 N 2.32 0.78 -0.04 2.79 2.02 0.21 -1.40 118.70 125.39 1x7v s GLU 57 Ca -0.03 -0.93 0.02 0.00 0.02 0.00 0.00 54.97 54.04 1x7v s GLU 57 Cb -0.06 -0.75 0.01 0.00 0.10 0.00 0.00 34.13 33.43 1x7v s GLU 57 CO -0.17 0.16 -0.07 -0.65 0.02 0.00 0.00 175.26 174.55 1x7v s GLN 58 N -1.73 0.94 0.01 1.61 -0.21 -0.28 -1.01 119.66 119.00 1x7v s GLN 58 Ca -0.03 -0.22 0.08 0.00 0.02 0.00 0.00 55.36 55.21 1x7v s GLN 58 Cb -0.10 -0.89 -0.02 0.00 1.00 0.00 0.00 33.01 33.00 1x7v s GLN 58 CO 0.02 0.02 -0.24 -1.58 -2.12 0.00 0.00 175.29 171.39 1x7v s TRP 59 N 0.53 2.10 0.24 0.91 0.52 -0.27 -0.40 118.94 122.58 1x7v s TRP 59 Ca -0.08 -0.40 -0.05 0.00 0.02 0.00 0.00 56.10 55.60 1x7v s TRP 59 Cb -0.12 -1.31 0.40 0.00 -1.15 0.00 0.00 33.47 31.29 1x7v s TRP 59 CO 0.01 0.03 1.78 -0.09 0.02 0.00 0.00 176.95 178.70 1x7v h ARG 60 N 5.23 0.63 -2.54 4.98 2.43 -1.24 -0.39 114.38 123.47 1x7v h ARG 60 Ca -0.43 -0.04 0.15 0.00 -0.81 0.00 0.00 59.98 58.86 1x7v h ARG 60 Cb 1.14 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.51 1x7v h ARG 60 CO 0.46 0.42 0.56 0.16 -1.51 0.00 0.00 179.97 180.06 1x7v s ASP 61 N -5.51 -0.01 0.36 -3.80 1.47 -1.26 -4.42 116.67 103.50 1x7v s ASP 61 Ca -0.12 -0.68 0.07 0.00 1.18 0.00 0.00 52.55 53.00 1x7v s ASP 61 Cb 0.19 0.52 0.77 0.00 -0.34 0.00 0.00 42.92 44.05 1x7v s ASP 61 CO 0.77 -1.02 1.94 0.44 0.68 0.00 0.00 175.17 177.98 1x7v h ASP 62 N 2.00 0.65 -0.60 2.11 3.32 -1.99 -2.19 116.42 119.71 1x7v h ASP 62 Ca -0.28 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.72 1x7v h ASP 62 Cb 1.22 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 1x7v h ASP 62 CO 0.35 0.41 0.11 0.00 -1.72 0.00 0.00 179.24 178.39 1x7v h ALA 63 N 1.61 0.80 -0.54 3.45 0.00 -1.99 0.16 119.26 122.75 1x7v h ALA 63 Ca 0.34 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1x7v h ALA 63 Cb 0.36 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1x7v h ALA 63 CO -0.12 0.54 0.03 0.00 0.00 0.00 0.00 179.25 179.70 1x7v h ALA 64 N 1.02 1.03 -0.29 0.00 0.00 -1.79 -0.70 119.26 118.54 1x7v h ALA 64 Ca 0.18 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1x7v h ALA 64 Cb 0.41 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1x7v h ALA 64 CO 0.01 0.61 0.02 1.25 0.00 0.00 0.00 179.25 181.14 1x7v h LEU 65 N 0.84 0.48 -0.60 0.00 5.85 -1.08 -1.04 115.31 119.76 1x7v h LEU 65 Ca 0.16 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.64 1x7v h LEU 65 Cb 0.46 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 1x7v h LEU 65 CO 0.02 0.65 0.34 -0.08 -0.34 0.00 0.00 178.44 179.02 1x7v h GLU 66 N 0.29 0.63 -0.70 1.25 4.81 -0.48 -1.38 114.58 119.00 1x7v h GLU 66 Ca 0.08 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 1x7v h GLU 66 Cb 0.39 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 1x7v h GLU 66 CO 0.01 0.42 0.22 -0.09 -0.73 0.00 0.00 179.01 178.83 1x7v h ARG 67 N 0.65 1.09 -1.00 1.92 2.43 -0.91 -2.02 114.38 116.54 1x7v h ARG 67 Ca 0.26 -0.23 0.13 0.00 -0.81 0.00 0.00 59.98 59.33 1x7v h ARG 67 Cb 0.11 -0.16 -0.09 0.00 -0.42 0.00 0.00 29.97 29.42 1x7v h ARG 67 CO -0.15 0.94 0.63 1.25 -1.51 0.00 0.00 179.97 181.13 1x7v h HIS 68 N 1.03 1.11 0.00 2.20 2.76 -0.34 0.14 115.15 122.05 1x7v h HIS 68 Ca 0.23 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.43 1x7v h HIS 68 Cb 0.30 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 28.91 1x7v h HIS 68 CO 0.02 0.40 0.00 1.04 -1.30 0.00 0.00 177.93 178.10 1x7v n GLN 69 N -4.64 0.02 0.02 5.26 6.02 -0.60 -2.64 117.38 120.81 1x7v n GLN 69 Ca 0.20 0.22 0.12 0.00 -0.01 0.00 0.00 57.00 57.53 1x7v n GLN 69 Cb 0.40 -1.53 0.23 0.00 1.02 0.00 0.00 30.24 30.36 1x7v n GLN 69 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1x7v n ASN 70 N -1.56 0.54 -4.82 1.08 3.02 0.49 -4.68 115.26 109.34 1x7v n ASN 70 Ca 0.04 -0.12 -0.33 0.00 -0.03 0.00 0.00 54.58 54.13 1x7v n ASN 70 Cb 0.20 0.23 -0.05 0.00 -0.61 0.00 0.00 39.78 39.56 1x7v n ASN 70 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1x7v s THR 71 N -3.05 4.19 0.22 3.41 -4.23 -1.08 -4.85 115.64 110.25 1x7v s THR 71 Ca 0.09 1.31 -0.07 0.00 -1.18 0.00 0.00 61.69 61.84 1x7v s THR 71 Cb 0.16 -3.56 0.17 0.00 1.34 0.00 0.00 72.50 70.62 1x7v s THR 71 CO 0.71 -0.35 1.75 -0.08 -0.54 0.00 0.00 174.62 176.10 1x7v h GLU 72 N 1.59 0.47 -0.32 3.99 4.57 -1.95 0.37 114.58 123.30 1x7v h GLU 72 Ca -0.49 -0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 57.56 1x7v h GLU 72 Cb 1.19 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.66 1x7v h GLU 72 CO 0.60 0.31 -0.25 1.12 -1.18 0.00 0.00 179.01 179.62 1x7v h HIS 73 N 0.48 0.71 -0.02 0.92 2.07 -1.93 0.20 115.15 117.57 1x7v h HIS 73 Ca 0.35 -0.16 -0.01 0.00 -2.85 0.00 0.00 60.37 57.69 1x7v h HIS 73 Cb 0.43 -0.17 -0.00 0.00 2.57 0.00 0.00 27.41 30.24 1x7v h HIS 73 CO -0.15 0.82 -0.04 0.35 -3.07 0.00 0.00 177.93 175.84 1x7v h PHE 74 N 0.55 0.09 -0.14 6.12 3.57 -1.66 -2.71 116.94 122.76 1x7v h PHE 74 Ca 0.08 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.58 1x7v h PHE 74 Cb 0.71 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 1x7v h PHE 74 CO 0.03 0.61 0.10 -0.07 -2.23 0.00 0.00 178.31 176.75 1x7v h LEU 75 N -0.45 0.03 -0.58 0.59 3.38 -0.81 0.84 115.31 118.31 1x7v h LEU 75 Ca 0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1x7v h LEU 75 Cb 0.60 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1x7v h LEU 75 CO 0.01 0.02 0.30 -0.09 0.09 0.00 0.00 178.44 178.77 1x7v h ARG 76 N 0.03 0.82 -1.13 1.13 2.43 -0.59 -2.80 114.38 114.27 1x7v h ARG 76 Ca 0.06 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1x7v h ARG 76 Cb 0.21 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1x7v h ARG 76 CO -0.00 0.64 0.00 0.34 -1.51 0.00 0.00 179.97 179.44 1x7v n PHE 77 N -4.57 0.00 -2.67 2.20 7.35 0.29 -2.75 117.46 117.31 1x7v n PHE 77 Ca 0.03 -0.24 -0.09 0.00 -0.76 0.00 0.00 57.45 56.40 1x7v n PHE 77 Cb 0.10 -0.16 0.03 0.00 0.35 0.00 0.00 39.48 39.80 1x7v n PHE 77 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1x7v n SER 78 N 0.51 1.72 -3.66 -2.13 7.64 -1.06 -4.98 113.62 111.67 1x7v n SER 78 Ca 0.00 -2.67 -0.05 0.00 1.01 0.00 0.00 58.87 57.15 1x7v n SER 78 Cb 0.29 -0.51 -0.07 0.00 -1.01 0.00 0.00 64.21 62.90 1x7v n SER 78 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x7v s ARG 79 N -3.27 0.52 -1.23 1.43 1.70 -1.11 -4.93 118.95 112.06 1x7v s ARG 79 Ca 0.29 1.21 0.00 0.00 -0.47 0.00 0.00 55.73 56.76 1x7v s ARG 79 Cb 0.43 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 35.27 1x7v s ARG 79 CO 0.01 -0.20 0.00 0.41 -1.08 0.00 0.00 175.30 174.45 1x7v n GLY 80 N 5.02 1.20 0.00 3.88 0.00 -1.26 -4.83 105.19 109.21 1x7v n GLY 80 Ca -0.14 -0.19 0.04 0.00 0.00 0.00 0.00 46.02 45.73 1x7v n GLY 80 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x7v n ASN 81 N -0.64 1.08 -0.29 1.61 3.02 -1.26 -4.33 115.26 114.45 1x7v n ASN 81 Ca -0.12 -0.51 0.18 0.00 -0.03 0.00 0.00 54.58 54.10 1x7v n ASN 81 Cb 0.49 1.10 0.45 0.00 -0.61 0.00 0.00 39.78 41.20 1x7v n ASN 81 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1x7v h GLU 82 N 0.00 0.51 -0.23 3.52 3.07 -1.88 1.36 114.58 120.94 1x7v h GLU 82 Ca 0.00 -0.03 -0.12 0.00 -0.50 0.00 0.00 59.36 58.71 1x7v h GLU 82 Cb 0.24 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 1x7v h GLU 82 CO 0.00 0.34 -0.35 0.00 -1.40 0.00 0.00 179.01 177.60 1x7v h ALA 83 N 1.62 0.97 0.00 3.43 0.00 -1.99 -3.30 119.26 119.99 1x7v h ALA 83 Ca 0.52 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1x7v h ALA 83 Cb 1.13 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1x7v h ALA 83 CO -0.25 0.61 -0.98 -0.07 0.00 0.00 0.00 179.25 178.55 1x7v h LEU 84 N 0.41 0.00 -8.41 0.00 4.07 -0.33 -3.42 115.31 107.63 1x7v h LEU 84 Ca 0.05 0.00 -0.66 0.00 0.08 0.00 0.00 57.88 57.34 1x7v h LEU 84 Cb 0.81 0.00 -0.27 0.00 1.08 0.00 0.00 40.66 42.28 1x7v h LEU 84 CO 0.07 0.48 -0.68 -0.76 -1.08 0.00 0.00 178.44 176.47 1x7v s LEU 85 N -6.01 3.31 -0.02 1.67 1.43 0.42 -0.49 118.68 118.98 1x7v s LEU 85 Ca 0.00 -0.51 -0.15 0.00 -1.03 0.00 0.00 54.13 52.44 1x7v s LEU 85 Cb 0.08 -1.80 -0.33 0.00 0.03 0.00 0.00 46.19 44.17 1x7v s LEU 85 CO 0.78 -0.09 0.83 -0.61 0.23 0.00 0.00 176.35 177.49 1x7v h GLN 86 N 8.16 0.44 -1.92 1.70 4.15 -1.17 -3.44 115.11 123.02 1x7v h GLN 86 Ca -0.37 -0.74 -0.02 0.00 0.77 0.00 0.00 58.65 58.29 1x7v h GLN 86 Cb 1.15 0.28 -0.22 0.00 0.21 0.00 0.00 27.48 28.89 1x7v h GLN 86 CO 0.60 1.36 0.20 1.21 -1.93 0.00 0.00 178.83 180.26 1x7v s ASN 87 N -7.36 -0.69 -0.06 -0.69 2.47 -1.12 -5.00 114.94 102.49 1x7v s ASN 87 Ca -0.13 1.31 0.03 0.00 0.42 0.00 0.00 52.86 54.50 1x7v s ASN 87 Cb 0.04 1.33 0.00 0.00 -1.45 0.00 0.00 41.25 41.17 1x7v s ASN 87 CO 0.88 -0.24 -0.16 -0.69 -3.72 0.00 0.00 177.10 173.17 1x7v s VAL 88 N 0.30 1.41 -0.07 -5.21 1.01 -1.26 -1.05 120.40 115.54 1x7v s VAL 88 Ca 0.00 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.35 1x7v s VAL 88 Cb -0.05 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 35.09 1x7v s VAL 88 CO -0.00 0.41 -0.18 -0.75 0.00 0.00 0.00 175.10 174.58 1x7v s LYS 89 N 0.34 2.17 -0.11 2.72 2.20 0.23 -4.98 119.74 122.31 1x7v s LYS 89 Ca -0.11 -0.66 0.03 0.00 -0.36 0.00 0.00 55.97 54.88 1x7v s LYS 89 Cb -0.14 -1.77 0.01 0.00 -1.51 0.00 0.00 37.83 34.41 1x7v s LYS 89 CO 0.04 0.18 -0.21 0.42 -0.36 0.00 0.00 175.35 175.42 1x7v s ILE 90 N 0.27 1.91 -0.06 5.43 -1.09 -1.26 0.05 121.20 126.46 1x7v s ILE 90 Ca -0.11 -0.91 0.00 0.00 -2.23 0.00 0.00 60.65 57.41 1x7v s ILE 90 Cb -0.15 -1.68 -0.03 0.00 -1.58 0.00 0.00 42.46 39.02 1x7v s ILE 90 CO 0.05 0.52 -0.04 -1.81 -1.23 0.00 0.00 174.94 172.43 1x7v s ASP 91 N 0.65 4.89 -0.09 3.58 1.01 -0.03 -4.99 116.67 121.70 1x7v s ASP 91 Ca -0.12 0.02 0.03 0.00 0.71 0.00 0.00 52.55 53.19 1x7v s ASP 91 Cb -0.16 -1.27 -0.01 0.00 1.01 0.00 0.00 42.92 42.48 1x7v s ASP 91 CO 0.03 0.35 -0.19 -1.10 0.21 0.00 0.00 175.17 174.47 1x7v s GLN 92 N -1.01 2.90 0.07 8.23 -0.21 -1.26 -1.51 119.66 126.87 1x7v s GLN 92 Ca 0.14 -0.79 -0.16 0.00 0.02 0.00 0.00 55.36 54.57 1x7v s GLN 92 Cb -0.11 -2.39 0.03 0.00 1.00 0.00 0.00 33.01 31.54 1x7v s GLN 92 CO 0.04 0.34 0.38 -0.48 -2.12 0.00 0.00 175.29 173.45 1x7v s LEU 93 N -0.02 0.52 -0.06 2.90 2.34 0.02 -5.02 118.68 119.36 1x7v s LEU 93 Ca -0.06 -0.16 0.05 0.00 0.06 0.00 0.00 54.13 54.02 1x7v s LEU 93 Cb -0.15 1.68 -0.00 0.00 -0.56 0.00 0.00 46.19 47.16 1x7v s LEU 93 CO 0.05 -0.72 -0.21 -0.31 -1.06 0.00 0.00 176.35 174.10 1x7v s TYR 94 N -2.97 2.12 0.30 3.48 1.51 -1.26 -0.77 117.35 119.76 1x7v s TYR 94 Ca -0.02 -0.68 -0.29 0.00 -1.01 0.00 0.00 57.07 55.06 1x7v s TYR 94 Cb 0.00 -1.41 -0.10 0.00 -0.11 0.00 0.00 41.96 40.34 1x7v s TYR 94 CO -0.06 -0.24 1.42 0.50 -1.11 0.00 0.00 175.55 176.06 1x7v s ARG 95 N 0.07 4.25 0.02 -0.62 6.06 -1.26 -5.02 118.95 122.45 1x7v s ARG 95 Ca -0.07 2.35 -0.08 0.00 -2.50 0.00 0.00 55.73 55.43 1x7v s ARG 95 Cb -0.14 -3.06 -0.05 0.00 0.06 0.00 0.00 34.95 31.76 1x7v s ARG 95 CO 0.04 -0.38 0.29 -0.51 -2.50 0.00 0.00 175.30 172.24 1x7v s LEU 96 N -1.19 4.37 0.00 -0.88 1.43 -1.26 -5.05 118.68 116.11 1x7v s LEU 96 Ca 0.55 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 54.27 1x7v s LEU 96 Cb -0.43 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.09 1x7v s LEU 96 CO 0.51 0.25 0.00 0.00 0.23 0.00 0.00 176.35 177.33