#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x7v n SER 2 N 0.00 0.00 -4.74 4.39 7.64 -1.26 -4.91 113.62 114.74 1x7v n SER 2 Ca 0.00 -0.03 -0.41 0.00 1.01 0.00 0.00 58.87 59.43 1x7v n SER 2 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1x7v n SER 2 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1x7v s THR 3 N 0.24 2.98 0.56 0.44 2.01 -1.26 -4.97 115.64 115.64 1x7v s THR 3 Ca 0.00 0.81 -0.19 0.00 0.31 0.00 0.00 61.69 62.61 1x7v s THR 3 Cb 0.00 -3.51 -0.07 0.00 0.01 0.00 0.00 72.50 68.93 1x7v s THR 3 CO 0.00 0.12 0.85 -2.65 -0.69 0.00 0.00 174.62 172.25 1x7v n PRO 4 N 2.59 0.86 -2.79 4.92 -0.02 -1.26 -4.91 135.00 134.39 1x7v n PRO 4 Ca 0.07 0.33 -0.42 0.00 -2.02 0.00 0.00 63.50 61.45 1x7v n PRO 4 Cb 0.42 -2.01 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 1x7v n PRO 4 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1x7v s LEU 5 N -0.94 4.07 -0.09 2.45 2.96 0.32 -4.49 118.68 122.95 1x7v s LEU 5 Ca 0.71 1.09 -0.16 0.00 -0.22 0.00 0.00 54.13 55.56 1x7v s LEU 5 Cb -0.45 -3.33 -0.05 0.00 0.50 0.00 0.00 46.19 42.86 1x7v s LEU 5 CO 0.51 -0.63 0.40 -0.89 -1.32 0.00 0.00 176.35 174.42 1x7v s THR 6 N 3.08 5.17 -0.04 3.68 2.01 -0.29 -0.32 115.64 128.93 1x7v s THR 6 Ca 0.39 0.80 0.04 0.00 0.31 0.00 0.00 61.69 63.22 1x7v s THR 6 Cb -0.15 -3.73 -0.00 0.00 0.01 0.00 0.00 72.50 68.64 1x7v s THR 6 CO 0.09 0.44 -0.16 -0.22 -0.69 0.00 0.00 174.62 174.08 1x7v s LEU 7 N -0.04 1.87 -0.20 4.42 0.20 -0.13 -1.17 118.68 123.62 1x7v s LEU 7 Ca 0.23 -0.33 -0.00 0.00 0.69 0.00 0.00 54.13 54.71 1x7v s LEU 7 Cb -0.15 -0.91 0.02 0.00 -0.43 0.00 0.00 46.19 44.72 1x7v s LEU 7 CO 0.10 0.13 -0.14 -0.63 -0.29 0.00 0.00 176.35 175.51 1x7v s ILE 8 N 0.13 2.45 -0.27 6.68 1.01 -0.33 -0.59 121.20 130.28 1x7v s ILE 8 Ca -0.05 -0.91 -0.08 0.00 0.00 0.00 0.00 60.65 59.62 1x7v s ILE 8 Cb -0.12 -2.11 -0.02 0.00 0.01 0.00 0.00 42.46 40.22 1x7v s ILE 8 CO 0.02 0.43 0.09 0.00 0.00 0.00 0.00 174.94 175.48 1x7v s ALA 9 N 1.32 3.18 -0.32 9.38 0.00 -1.26 -0.92 121.76 133.13 1x7v s ALA 9 Ca 0.04 -1.21 -0.11 0.00 0.00 0.00 0.00 51.96 50.68 1x7v s ALA 9 Cb -0.14 -2.15 -0.02 0.00 0.00 0.00 0.00 23.12 20.82 1x7v s ALA 9 CO -0.09 -0.61 0.20 0.99 0.00 0.00 0.00 175.76 176.25 1x7v s THR 10 N 1.61 4.99 -0.15 0.00 2.01 -0.05 -4.18 115.64 119.87 1x7v s THR 10 Ca 0.06 -0.28 0.02 0.00 0.31 0.00 0.00 61.69 61.80 1x7v s THR 10 Cb -0.16 -3.54 0.01 0.00 0.01 0.00 0.00 72.50 68.82 1x7v s THR 10 CO 0.04 0.04 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.17 1x7v s ILE 11 N 1.68 2.01 -0.26 1.82 1.01 0.28 -1.30 121.20 126.44 1x7v s ILE 11 Ca 0.06 -0.94 -0.06 0.00 0.00 0.00 0.00 60.65 59.71 1x7v s ILE 11 Cb -0.17 -1.80 -0.00 0.00 0.01 0.00 0.00 42.46 40.50 1x7v s ILE 11 CO 0.09 0.54 0.04 -0.89 0.00 0.00 0.00 174.94 174.71 1x7v s THR 12 N 0.98 3.83 0.37 2.92 2.01 -0.19 -0.40 115.64 125.16 1x7v s THR 12 Ca -0.03 -0.55 -0.26 0.00 0.31 0.00 0.00 61.69 61.16 1x7v s THR 12 Cb -0.15 -2.88 -0.09 0.00 0.01 0.00 0.00 72.50 69.40 1x7v s THR 12 CO -0.05 0.23 1.11 0.00 -0.69 0.00 0.00 174.62 175.21 1x7v s ALA 13 N 1.51 3.18 0.46 7.40 0.00 0.85 -0.38 121.76 134.79 1x7v s ALA 13 Ca 0.04 0.85 -0.24 0.00 0.00 0.00 0.00 51.96 52.61 1x7v s ALA 13 Cb -0.16 -3.33 -0.07 0.00 0.00 0.00 0.00 23.12 19.56 1x7v s ALA 13 CO 0.01 -0.33 1.33 0.00 0.00 0.00 0.00 175.76 176.77 1x7v s ALA 14 N -1.45 3.09 0.33 0.00 0.00 0.23 -4.52 121.76 119.44 1x7v s ALA 14 Ca 0.55 1.28 -0.29 0.00 0.00 0.00 0.00 51.96 53.50 1x7v s ALA 14 Cb -0.28 -3.52 -0.12 0.00 0.00 0.00 0.00 23.12 19.20 1x7v s ALA 14 CO 0.35 -1.05 1.38 -2.30 0.00 0.00 0.00 175.76 174.13 1x7v n PRO 15 N -0.37 2.30 -0.50 0.00 -0.02 -1.26 -1.21 135.00 133.94 1x7v n PRO 15 Ca 0.06 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1x7v n PRO 15 Cb 0.44 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 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 0.97 1.56 0.39 -1.23 0.00 -1.26 -4.89 105.19 100.73 1x7v n GLY 16 Ca 0.05 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.00 0.33 0.04 1.61 8.25 -0.35 -4.75 115.22 118.35 1x7v n HIS 17 Ca 0.00 -0.67 -0.05 0.00 -0.26 0.00 0.00 57.72 56.75 1x7v n HIS 17 Cb 0.00 -0.11 0.16 0.00 1.12 0.00 0.00 29.99 31.16 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 0.98 0.97 -0.06 -1.41 0.00 -1.90 -1.25 119.26 116.60 1x7v h ALA 18 Ca 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1x7v h ALA 18 Cb 0.85 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1x7v h ALA 18 CO 0.04 0.62 -0.01 0.93 0.00 0.00 0.00 179.25 180.84 1x7v h GLU 19 N 0.33 0.11 -0.68 0.00 3.07 -1.93 -1.06 114.58 114.41 1x7v h GLU 19 Ca 0.03 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 1x7v h GLU 19 Cb 0.87 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.74 1x7v h GLU 19 CO 0.07 0.43 0.33 0.00 -1.40 0.00 0.00 179.01 178.44 1x7v h ALA 20 N 0.68 0.88 -0.33 3.43 0.00 -1.88 -2.17 119.26 119.86 1x7v h ALA 20 Ca 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1x7v h ALA 20 Cb 0.38 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1x7v h ALA 20 CO 0.00 0.44 0.17 1.25 0.00 0.00 0.00 179.25 181.12 1x7v h LEU 21 N 0.95 0.42 -0.68 0.00 5.85 -1.16 -2.42 115.31 118.27 1x7v h LEU 21 Ca 0.23 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.91 1x7v h LEU 21 Cb 0.12 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 1x7v h LEU 21 CO -0.03 0.41 0.38 -0.08 -0.34 0.00 0.00 178.44 178.78 1x7v h GLU 22 N 0.41 0.68 -0.57 1.25 4.81 -0.84 0.64 114.58 120.96 1x7v h GLU 22 Ca 0.12 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1x7v h GLU 22 Cb 0.09 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 1x7v h GLU 22 CO -0.02 0.45 0.35 -0.09 -0.73 0.00 0.00 179.01 178.98 1x7v h ARG 23 N 0.70 0.68 -0.41 1.92 2.43 -1.27 0.47 114.38 118.92 1x7v h ARG 23 Ca 0.31 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.35 1x7v h ARG 23 Cb 0.19 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1x7v h ARG 23 CO -0.19 0.45 -0.09 0.93 -1.51 0.00 0.00 179.97 179.57 1x7v h GLU 24 N 0.70 0.71 -0.19 0.20 4.39 -0.88 -1.88 114.58 117.63 1x7v h GLU 24 Ca 0.23 -0.22 -0.21 0.00 0.34 0.00 0.00 59.36 59.50 1x7v h GLU 24 Cb -0.00 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1x7v h GLU 24 CO -0.09 0.78 -0.69 -0.07 -1.16 0.00 0.00 179.01 177.78 1x7v h LEU 25 N 0.65 0.90 -1.20 1.33 3.38 -0.52 -2.98 115.31 116.87 1x7v h LEU 25 Ca 0.12 -0.55 0.01 0.00 0.09 0.00 0.00 57.88 57.55 1x7v h LEU 25 Cb 0.53 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1x7v h LEU 25 CO 0.03 1.34 0.54 0.03 0.09 0.00 0.00 178.44 180.48 1x7v h ARG 26 N 0.55 1.06 0.00 1.13 3.08 -0.77 -2.55 114.38 116.89 1x7v h ARG 26 Ca -0.03 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1x7v h ARG 26 Cb 1.31 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 31.12 1x7v h ARG 26 CO 0.14 0.70 -0.02 0.00 -1.07 0.00 0.00 179.97 179.73 1x7v h ALA 27 N 1.49 1.96 0.00 0.04 0.00 -1.18 -2.76 119.26 118.81 1x7v h ALA 27 Ca 0.31 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 1x7v h ALA 27 Cb -0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1x7v h ALA 27 CO -0.07 0.02 -0.41 -0.07 0.00 0.00 0.00 179.25 178.72 1x7v h LEU 28 N 0.00 0.00 0.67 0.00 3.38 -1.48 -3.40 115.31 114.48 1x7v h LEU 28 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1x7v h LEU 28 Cb 0.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.78 1x7v h LEU 28 CO 0.00 0.41 -0.32 0.58 0.09 0.00 0.00 178.44 179.20 1x7v h VAL 29 N 0.00 0.25 -0.08 1.22 2.07 -1.58 -1.85 116.25 116.28 1x7v h VAL 29 Ca -0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1x7v h VAL 29 Cb 0.78 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1x7v h VAL 29 CO 0.05 0.02 0.05 0.00 0.02 0.00 0.00 177.57 177.72 1x7v h ALA 30 N -0.83 0.10 -0.14 1.67 0.00 -1.78 -0.53 119.26 117.75 1x7v h ALA 30 Ca -0.09 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1x7v h ALA 30 Cb 0.72 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1x7v h ALA 30 CO 0.15 -0.41 -0.30 -1.00 0.00 0.00 0.00 179.25 177.69 1x7v h PRO 31 N 0.11 0.27 -0.09 0.00 0.13 -1.79 -2.79 132.00 127.84 1x7v h PRO 31 Ca 0.03 -0.10 -0.02 0.00 -0.87 0.00 0.00 66.00 65.04 1x7v h PRO 31 Cb -0.01 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.10 1x7v h PRO 31 CO -0.01 0.55 -0.02 0.77 -0.23 0.00 0.00 178.00 179.06 1x7v h SER 32 N 0.24 0.17 -0.90 1.44 0.02 -1.15 -2.97 113.55 110.39 1x7v h SER 32 Ca 0.03 -0.37 0.18 0.00 -0.84 0.00 0.00 61.79 60.80 1x7v h SER 32 Cb 0.66 -0.05 -0.07 0.00 0.14 0.00 0.00 62.40 63.08 1x7v h SER 32 CO 0.05 0.50 0.59 0.03 -1.14 0.00 0.00 176.83 176.85 1x7v h ARG 33 N -0.16 0.54 0.00 3.45 3.08 -0.97 -2.49 114.38 117.83 1x7v h ARG 33 Ca 0.02 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1x7v h ARG 33 Cb 0.42 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1x7v h ARG 33 CO 0.01 0.36 0.00 0.00 -1.07 0.00 0.00 179.97 179.27 1x7v n ALA 34 N -2.46 1.84 -1.85 0.04 0.00 -1.06 -4.78 120.51 112.24 1x7v n ALA 34 Ca 0.19 -0.02 -0.41 0.00 0.00 0.00 0.00 53.44 53.21 1x7v n ALA 34 Cb 0.59 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 1x7v n ALA 34 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1x7v s GLU 35 N -3.11 4.47 0.31 0.00 2.02 -0.94 -4.93 118.70 116.53 1x7v s GLU 35 Ca 0.08 2.01 0.02 0.00 0.02 0.00 0.00 54.97 57.10 1x7v s GLU 35 Cb 0.11 -3.15 0.52 0.00 0.10 0.00 0.00 34.13 31.71 1x7v s GLU 35 CO 0.38 -0.06 1.86 0.00 0.02 0.00 0.00 175.26 177.47 1x7v h ALA 36 N 4.14 1.32 -0.24 5.21 0.00 -1.90 -1.38 119.26 126.42 1x7v h ALA 36 Ca -0.47 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1x7v h ALA 36 Cb 1.22 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1x7v h ALA 36 CO 0.69 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.83 1x7v n GLY 37 N -0.91 0.38 3.60 0.00 0.00 -1.26 -4.79 105.19 102.21 1x7v n GLY 37 Ca 0.03 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 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 5.68 0.39 -3.69 0.00 4.77 0.49 -4.83 117.00 119.81 1x7v n LEU 39 Ca -0.03 0.16 -0.14 0.00 -0.03 0.00 0.00 56.01 55.97 1x7v n LEU 39 Cb 0.49 0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 1x7v n LEU 39 CO 0.43 0.00 0.21 -1.58 -1.33 0.00 0.00 177.39 175.12 1x7v s GLN 40 N -3.30 0.63 -0.34 3.23 0.74 -1.14 -4.87 119.66 114.62 1x7v s GLN 40 Ca -0.05 0.68 0.05 0.00 0.05 0.00 0.00 55.36 56.08 1x7v s GLN 40 Cb 0.11 0.31 0.17 0.00 1.10 0.00 0.00 33.01 34.70 1x7v s GLN 40 CO 0.85 -0.09 0.50 -0.47 -0.55 0.00 0.00 175.29 175.53 1x7v s TYR 41 N 0.16 -1.20 -0.06 1.67 5.04 -1.25 -0.94 117.35 120.77 1x7v s TYR 41 Ca -0.01 0.16 0.04 0.00 -2.44 0.00 0.00 57.07 54.82 1x7v s TYR 41 Cb -0.04 0.00 0.00 0.00 0.35 0.00 0.00 41.96 42.28 1x7v s TYR 41 CO 0.01 -1.06 -0.18 -0.51 -1.34 0.00 0.00 175.55 172.48 1x7v s ASP 42 N 2.13 2.31 -0.13 4.32 1.01 -0.51 -4.82 116.67 120.98 1x7v s ASP 42 Ca 0.13 -0.39 -0.05 0.00 0.71 0.00 0.00 52.55 52.95 1x7v s ASP 42 Cb -0.10 -0.86 -0.04 0.00 1.01 0.00 0.00 42.92 42.93 1x7v s ASP 42 CO -0.17 0.12 0.06 -0.22 0.21 0.00 0.00 175.17 175.18 1x7v s LEU 43 N 0.28 3.90 0.09 1.23 2.96 -1.26 -0.20 118.68 125.68 1x7v s LEU 43 Ca -0.10 0.22 0.04 0.00 -0.22 0.00 0.00 54.13 54.06 1x7v s LEU 43 Cb -0.14 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 1x7v s LEU 43 CO 0.04 0.32 -0.10 -1.00 -1.32 0.00 0.00 176.35 174.29 1x7v s HIS 44 N -0.51 1.03 -0.02 5.38 3.76 0.47 -5.00 115.29 120.41 1x7v s HIS 44 Ca 0.10 -0.62 0.03 0.00 -0.15 0.00 0.00 55.06 54.42 1x7v s HIS 44 Cb -0.12 -0.57 -0.03 0.00 1.11 0.00 0.00 32.58 32.97 1x7v s HIS 44 CO 0.02 -0.01 -0.11 -1.14 -0.85 0.00 0.00 174.74 172.66 1x7v s GLN 45 N -2.57 2.50 0.33 1.40 0.74 -1.26 -1.24 119.66 119.56 1x7v s GLN 45 Ca 0.03 -0.72 -0.28 0.00 0.05 0.00 0.00 55.36 54.43 1x7v s GLN 45 Cb -0.04 -2.44 -0.12 0.00 1.10 0.00 0.00 33.01 31.51 1x7v s GLN 45 CO 0.00 0.61 1.35 -3.47 -0.55 0.00 0.00 175.29 173.23 1x7v n ASP 46 N 1.88 2.98 -0.17 6.67 2.03 -0.50 -4.91 116.55 124.52 1x7v n ASP 46 Ca -0.16 1.20 0.08 0.00 0.52 0.00 0.00 54.79 56.43 1x7v n ASP 46 Cb 0.52 -1.50 0.39 0.00 -0.72 0.00 0.00 41.12 39.81 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 2.93 0.65 0.00 -0.67 2.43 -1.99 -3.36 114.38 114.37 1x7v h ARG 47 Ca -0.47 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1x7v h ARG 47 Cb 1.27 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1x7v h ARG 47 CO 0.65 0.43 -1.04 0.72 -1.51 0.00 0.00 179.97 179.22 1x7v n HIS 48 N -4.49 0.00 -3.93 2.20 8.25 -1.26 -4.95 115.22 111.04 1x7v n HIS 48 Ca 0.11 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.23 1x7v n HIS 48 Cb 0.29 -0.02 -0.14 0.00 1.12 0.00 0.00 29.99 31.24 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 -2.18 4.75 0.49 0.41 -1.08 -1.26 -4.99 116.67 112.82 1x7v s ASP 49 Ca -0.00 -1.21 0.33 0.00 -0.52 0.00 0.00 52.55 51.14 1x7v s ASP 49 Cb 0.01 -1.69 1.58 0.00 -1.46 0.00 0.00 42.92 41.35 1x7v s ASP 49 CO 0.03 -0.23 1.99 0.77 0.52 0.00 0.00 175.17 178.26 1x7v h SER 50 N 7.98 0.00 -0.02 -0.34 4.64 -1.93 -2.35 113.55 121.53 1x7v h SER 50 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1x7v h SER 50 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1x7v h SER 50 CO 0.53 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.90 1x7v n HIS 51 N -2.78 0.00 -4.37 4.77 8.25 -1.26 -4.84 115.22 114.99 1x7v n HIS 51 Ca -0.01 -0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.11 1x7v n HIS 51 Cb 0.18 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.16 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 -1.99 3.04 0.15 2.41 1.43 -0.88 -0.10 118.68 122.73 1x7v s LEU 52 Ca 0.37 -0.24 0.08 0.00 -1.03 0.00 0.00 54.13 53.31 1x7v s LEU 52 Cb 0.21 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 1x7v s LEU 52 CO 0.33 0.12 -0.17 -0.36 0.23 0.00 0.00 176.35 176.50 1x7v s PHE 53 N 0.64 1.73 0.00 0.29 0.40 0.46 -1.41 117.98 120.09 1x7v s PHE 53 Ca -0.03 -0.49 0.00 0.00 -0.60 0.00 0.00 56.93 55.81 1x7v s PHE 53 Cb -0.15 -0.87 0.00 0.00 0.51 0.00 0.00 43.02 42.51 1x7v s PHE 53 CO 0.02 0.28 0.00 0.66 0.70 0.00 0.00 175.22 176.89 1x7v n TYR 54 N 0.38 0.00 -3.46 0.36 4.02 -0.38 -0.55 117.16 117.52 1x7v n TYR 54 Ca -0.14 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.76 1x7v n TYR 54 Cb 0.57 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.85 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 -0.98 -0.64 0.08 -0.72 1.01 0.72 -0.39 121.20 120.27 1x7v s ILE 56 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 60.65 60.72 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 -0.19 -1.61 0.00 0.00 0.00 174.94 173.14 1x7v s GLU 57 N 2.59 1.10 -0.03 2.79 2.02 0.25 -1.43 118.70 125.99 1x7v s GLU 57 Ca -0.03 -1.02 0.04 0.00 0.02 0.00 0.00 54.97 53.97 1x7v s GLU 57 Cb -0.08 -1.26 -0.00 0.00 0.10 0.00 0.00 34.13 32.89 1x7v s GLU 57 CO -0.18 0.30 -0.15 -0.65 0.02 0.00 0.00 175.26 174.60 1x7v s GLN 58 N -1.62 1.45 -0.03 1.61 -0.21 -0.11 -0.96 119.66 119.79 1x7v s GLN 58 Ca 0.05 -0.52 0.04 0.00 0.02 0.00 0.00 55.36 54.94 1x7v s GLN 58 Cb -0.09 -1.31 -0.01 0.00 1.00 0.00 0.00 33.01 32.60 1x7v s GLN 58 CO 0.03 0.24 -0.16 -1.58 -2.12 0.00 0.00 175.29 171.70 1x7v s TRP 59 N -0.04 1.59 0.29 0.91 0.52 0.57 -0.38 118.94 122.39 1x7v s TRP 59 Ca -0.01 -0.41 0.02 0.00 0.02 0.00 0.00 56.10 55.72 1x7v s TRP 59 Cb -0.09 -1.06 0.59 0.00 -1.15 0.00 0.00 33.47 31.76 1x7v s TRP 59 CO 0.01 -0.12 1.82 0.00 0.02 0.00 0.00 176.95 178.68 1x7v h ARG 60 N 6.12 0.89 -2.68 4.98 3.08 -1.30 0.92 114.38 126.39 1x7v h ARG 60 Ca -0.34 -0.05 0.11 0.00 0.07 0.00 0.00 59.98 59.76 1x7v h ARG 60 Cb 1.17 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.97 1x7v h ARG 60 CO 0.48 0.59 0.40 0.16 -1.07 0.00 0.00 179.97 180.53 1x7v s ASP 61 N -5.61 -0.11 0.29 7.04 1.47 -1.26 -4.46 116.67 114.03 1x7v s ASP 61 Ca -0.12 -0.68 0.04 0.00 1.18 0.00 0.00 52.55 52.97 1x7v s ASP 61 Cb 0.23 0.63 0.65 0.00 -0.34 0.00 0.00 42.92 44.09 1x7v s ASP 61 CO 0.81 -1.21 1.80 0.44 0.68 0.00 0.00 175.17 177.69 1x7v h ASP 62 N 2.00 0.86 -0.63 2.11 3.32 -1.98 -2.35 116.42 119.74 1x7v h ASP 62 Ca -0.26 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 1x7v h ASP 62 Cb 1.24 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.67 1x7v h ASP 62 CO 0.31 0.38 0.38 0.00 -1.72 0.00 0.00 179.24 178.58 1x7v h ALA 63 N 1.60 1.45 -0.54 3.45 0.00 -1.99 0.27 119.26 123.51 1x7v h ALA 63 Ca 0.54 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.26 1x7v h ALA 63 Cb 0.71 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1x7v h ALA 63 CO -0.33 0.47 -0.08 0.00 0.00 0.00 0.00 179.25 179.31 1x7v h ALA 64 N 1.53 0.74 -0.56 0.00 0.00 -1.79 -0.59 119.26 118.58 1x7v h ALA 64 Ca 0.23 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1x7v h ALA 64 Cb -0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1x7v h ALA 64 CO -0.04 0.64 0.22 1.25 0.00 0.00 0.00 179.25 181.31 1x7v h LEU 65 N 0.89 0.78 -0.78 0.00 5.85 -1.11 -1.64 115.31 119.29 1x7v h LEU 65 Ca 0.14 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1x7v h LEU 65 Cb 0.65 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1x7v h LEU 65 CO 0.04 0.74 0.48 -0.33 -0.34 0.00 0.00 178.44 179.04 1x7v h GLU 66 N 0.77 1.06 -0.63 1.25 5.08 -0.69 -2.65 114.58 118.77 1x7v h GLU 66 Ca 0.19 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1x7v h GLU 66 Cb 0.21 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1x7v h GLU 66 CO -0.01 0.74 0.16 0.00 -1.00 0.00 0.00 179.01 178.89 1x7v h ARG 67 N 1.07 1.01 -0.97 2.33 3.08 -0.88 -1.96 114.38 118.06 1x7v h ARG 67 Ca 0.28 -0.24 0.20 0.00 0.07 0.00 0.00 59.98 60.29 1x7v h ARG 67 Cb -0.05 -0.13 -0.11 0.00 0.08 0.00 0.00 29.97 29.75 1x7v h ARG 67 CO -0.05 0.92 0.57 1.25 -1.07 0.00 0.00 179.97 181.58 1x7v h HIS 68 N 0.93 0.98 0.00 3.04 2.76 -0.97 -1.35 115.15 120.54 1x7v h HIS 68 Ca 0.20 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.40 1x7v h HIS 68 Cb 0.36 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.03 1x7v h HIS 68 CO 0.03 0.17 0.00 1.04 -1.30 0.00 0.00 177.93 177.87 1x7v n GLN 69 N -4.83 0.01 -0.23 5.26 6.02 -0.74 -2.66 117.38 120.21 1x7v n GLN 69 Ca 0.23 0.15 0.12 0.00 -0.01 0.00 0.00 57.00 57.49 1x7v n GLN 69 Cb 0.59 -1.52 0.25 0.00 1.02 0.00 0.00 30.24 30.59 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 -1.54 3.48 -4.89 1.08 5.03 -0.51 -4.61 115.26 113.29 1x7v n ASN 70 Ca 0.05 -1.98 -0.29 0.00 0.87 0.00 0.00 54.58 53.23 1x7v n ASN 70 Cb 0.25 -0.31 -0.00 0.00 -1.02 0.00 0.00 39.78 38.70 1x7v n ASN 70 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1x7v s THR 71 N -1.39 4.84 0.25 3.41 -4.23 -1.09 -4.97 115.64 112.47 1x7v s THR 71 Ca 0.41 0.43 -0.05 0.00 -1.18 0.00 0.00 61.69 61.30 1x7v s THR 71 Cb 0.23 -3.85 0.22 0.00 1.34 0.00 0.00 72.50 70.44 1x7v s THR 71 CO 0.32 -0.89 1.88 -0.08 -0.54 0.00 0.00 174.62 175.31 1x7v h GLU 72 N 0.20 1.21 -0.42 3.99 4.22 -1.94 -2.44 114.58 119.41 1x7v h GLU 72 Ca -0.46 -0.13 -0.08 0.00 0.08 0.00 0.00 59.36 58.77 1x7v h GLU 72 Cb 1.20 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 1x7v h GLU 72 CO 0.62 0.87 -0.09 1.12 -2.18 0.00 0.00 179.01 179.35 1x7v h HIS 73 N 1.22 0.79 -0.16 0.92 2.07 -1.94 0.40 115.15 118.45 1x7v h HIS 73 Ca 0.31 -0.13 -0.18 0.00 -2.85 0.00 0.00 60.37 57.53 1x7v h HIS 73 Cb -0.01 -0.21 0.01 0.00 2.57 0.00 0.00 27.41 29.77 1x7v h HIS 73 CO 0.01 0.78 -0.58 0.35 -3.07 0.00 0.00 177.93 175.42 1x7v h PHE 74 N 0.67 0.90 -0.62 6.12 3.57 -1.76 -2.58 116.94 123.24 1x7v h PHE 74 Ca 0.12 -0.37 -0.09 0.00 3.53 0.00 0.00 57.97 61.15 1x7v h PHE 74 Cb 0.54 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1x7v h PHE 74 CO 0.03 1.18 0.02 -0.07 -2.23 0.00 0.00 178.31 177.23 1x7v h LEU 75 N 0.37 1.05 -0.66 0.59 3.38 -1.27 -1.58 115.31 117.19 1x7v h LEU 75 Ca -0.03 -0.30 0.11 0.00 0.09 0.00 0.00 57.88 57.75 1x7v h LEU 75 Cb 1.21 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 41.60 1x7v h LEU 75 CO 0.12 1.09 0.26 -0.09 0.09 0.00 0.00 178.44 179.91 1x7v h ARG 76 N 0.98 0.42 -0.67 1.13 2.43 -0.85 -1.23 114.38 116.59 1x7v h ARG 76 Ca 0.18 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1x7v h ARG 76 Cb 0.54 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 1x7v h ARG 76 CO 0.03 0.28 0.27 0.35 -1.51 0.00 0.00 179.97 179.38 1x7v h PHE 77 N 0.44 1.02 0.00 2.20 3.57 -1.07 -2.87 116.94 120.23 1x7v h PHE 77 Ca 0.34 -0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.71 1x7v h PHE 77 Cb 0.44 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1x7v h PHE 77 CO -0.16 0.80 -0.23 0.77 -2.23 0.00 0.00 178.31 177.25 1x7v h SER 78 N 0.95 0.00 -2.92 0.41 0.02 -0.70 -3.37 113.55 107.94 1x7v h SER 78 Ca 0.22 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.63 1x7v h SER 78 Cb 0.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1x7v h SER 78 CO -0.02 0.23 0.83 -0.13 -1.14 0.00 0.00 176.83 176.60 1x7v s ARG 79 N -4.50 4.28 0.00 3.45 0.52 -0.52 -4.28 118.95 117.91 1x7v s ARG 79 Ca -0.04 1.90 0.00 0.00 -0.52 0.00 0.00 55.73 57.08 1x7v s ARG 79 Cb 0.15 -3.61 0.00 0.00 0.52 0.00 0.00 34.95 32.02 1x7v s ARG 79 CO 0.70 -0.58 0.00 0.41 0.02 0.00 0.00 175.30 175.85 1x7v n GLY 80 N 3.62 0.26 1.03 -3.53 0.00 -1.26 -4.74 105.19 100.57 1x7v n GLY 80 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.40 3.18 -0.23 1.61 3.02 -1.26 -4.39 115.26 116.78 1x7v n ASN 81 Ca 0.00 -1.99 0.08 0.00 -0.03 0.00 0.00 54.58 52.65 1x7v n ASN 81 Cb 0.20 -0.10 0.35 0.00 -0.61 0.00 0.00 39.78 39.62 1x7v n ASN 81 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1x7v h GLU 82 N 4.55 0.74 0.00 3.52 4.81 -1.85 -0.67 114.58 125.69 1x7v h GLU 82 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1x7v h GLU 82 Cb 0.98 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1x7v h GLU 82 CO 0.00 0.49 0.00 0.00 -0.73 0.00 0.00 179.01 178.77 1x7v h ALA 83 N 1.59 1.00 0.00 2.92 0.00 -1.99 -2.87 119.26 119.90 1x7v h ALA 83 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1x7v h ALA 83 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1x7v h ALA 83 CO -0.15 0.00 -0.01 -0.07 0.00 0.00 0.00 179.25 179.02 1x7v h LEU 84 N 0.00 0.00 -9.60 0.00 3.38 -1.41 -3.45 115.31 104.23 1x7v h LEU 84 Ca 0.00 -0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 1x7v h LEU 84 Cb 0.59 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.24 1x7v h LEU 84 CO 0.00 0.00 -0.57 -0.76 0.09 0.00 0.00 178.44 177.20 1x7v s LEU 85 N -5.39 3.96 -0.05 1.67 1.43 -1.09 -0.60 118.68 118.60 1x7v s LEU 85 Ca 0.09 0.16 0.08 0.00 -1.03 0.00 0.00 54.13 53.43 1x7v s LEU 85 Cb 0.09 -2.33 -0.12 0.00 0.03 0.00 0.00 46.19 43.85 1x7v s LEU 85 CO 0.64 0.26 0.11 0.00 0.23 0.00 0.00 176.35 177.59 1x7v n GLN 86 N 1.10 1.53 -3.63 1.70 10.64 0.49 -4.45 117.38 124.77 1x7v n GLN 86 Ca -0.12 -0.04 -0.15 0.00 -1.83 0.00 0.00 57.00 54.85 1x7v n GLN 86 Cb 0.53 -1.22 -0.07 0.00 -0.86 0.00 0.00 30.24 28.61 1x7v n GLN 86 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 1x7v s ASN 87 N -3.58 -0.57 -0.06 2.61 2.47 -1.10 -5.00 114.94 109.70 1x7v s ASN 87 Ca -0.04 0.84 -0.01 0.00 0.42 0.00 0.00 52.86 54.07 1x7v s ASN 87 Cb 0.04 0.81 0.03 0.00 -1.45 0.00 0.00 41.25 40.68 1x7v s ASN 87 CO 0.36 -0.40 -0.00 -0.69 -3.72 0.00 0.00 177.10 172.65 1x7v s VAL 88 N -0.53 0.35 -0.14 -5.21 1.01 -1.26 -1.03 120.40 113.60 1x7v s VAL 88 Ca -0.06 0.11 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 1x7v s VAL 88 Cb -0.03 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 1x7v s VAL 88 CO 0.05 0.24 0.06 -0.75 0.00 0.00 0.00 175.10 174.70 1x7v s LYS 89 N 1.77 3.53 -0.19 2.72 2.20 -0.42 -4.98 119.74 124.37 1x7v s LYS 89 Ca 0.02 -0.32 0.01 0.00 -0.36 0.00 0.00 55.97 55.32 1x7v s LYS 89 Cb -0.13 -3.07 0.03 0.00 -1.51 0.00 0.00 37.83 33.15 1x7v s LYS 89 CO -0.04 0.53 -0.18 0.42 -0.36 0.00 0.00 175.35 175.72 1x7v s ILE 90 N -0.37 2.04 -0.14 5.43 -1.09 -1.26 -0.87 121.20 124.94 1x7v s ILE 90 Ca 0.09 -1.03 -0.04 0.00 -2.23 0.00 0.00 60.65 57.44 1x7v s ILE 90 Cb -0.12 -1.90 -0.03 0.00 -1.58 0.00 0.00 42.46 38.83 1x7v s ILE 90 CO 0.02 0.44 0.02 -1.81 -1.23 0.00 0.00 174.94 172.38 1x7v s ASP 91 N 1.27 5.31 -0.14 3.58 1.01 -0.10 -4.99 116.67 122.62 1x7v s ASP 91 Ca 0.03 0.07 0.01 0.00 0.71 0.00 0.00 52.55 53.37 1x7v s ASP 91 Cb -0.14 -1.74 -0.00 0.00 1.01 0.00 0.00 42.92 42.04 1x7v s ASP 91 CO -0.12 0.26 -0.17 -1.10 0.21 0.00 0.00 175.17 174.26 1x7v s GLN 92 N -0.17 3.21 0.08 8.23 -0.21 -1.26 -1.19 119.66 128.35 1x7v s GLN 92 Ca 0.05 -0.77 -0.12 0.00 0.02 0.00 0.00 55.36 54.55 1x7v s GLN 92 Cb -0.12 -2.56 0.01 0.00 1.00 0.00 0.00 33.01 31.34 1x7v s GLN 92 CO 0.02 0.08 0.27 -0.48 -2.12 0.00 0.00 175.29 173.06 1x7v s LEU 93 N 0.64 1.02 -0.04 2.90 2.34 -0.32 -5.03 118.68 120.19 1x7v s LEU 93 Ca -0.09 -0.44 0.04 0.00 0.06 0.00 0.00 54.13 53.71 1x7v s LEU 93 Cb -0.16 1.32 -0.00 0.00 -0.56 0.00 0.00 46.19 46.79 1x7v s LEU 93 CO 0.02 -0.72 -0.17 -0.31 -1.06 0.00 0.00 176.35 174.12 1x7v s TYR 94 N -3.45 1.66 0.28 3.48 1.51 -1.26 -1.14 117.35 118.43 1x7v s TYR 94 Ca 0.01 -0.47 -0.30 0.00 -1.01 0.00 0.00 57.07 55.30 1x7v s TYR 94 Cb 0.02 -1.12 -0.12 0.00 -0.11 0.00 0.00 41.96 40.63 1x7v s TYR 94 CO -0.09 -0.16 1.56 -2.13 -1.11 0.00 0.00 175.55 173.62 1x7v n ARG 95 N 3.16 2.58 -3.44 -0.62 3.00 -1.26 -5.00 116.66 115.08 1x7v n ARG 95 Ca -0.18 0.92 -0.37 0.00 -0.00 0.00 0.00 57.85 58.21 1x7v n ARG 95 Cb 0.53 -2.68 -0.07 0.00 0.00 0.00 0.00 32.46 30.24 1x7v n ARG 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1x7v s LEU 96 N -0.36 4.20 0.00 6.15 1.43 -1.26 -5.04 118.68 123.79 1x7v s LEU 96 Ca 0.65 0.54 0.00 0.00 -1.03 0.00 0.00 54.13 54.28 1x7v s LEU 96 Cb -0.52 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.22 1x7v s LEU 96 CO 0.49 -0.00 0.00 0.00 0.23 0.00 0.00 176.35 177.06