#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xz7 s LEU 2 N 0.00 4.31 0.77 -0.89 1.43 -1.26 -5.04 118.68 117.99 1xz7 s LEU 2 Ca 0.00 1.87 -0.11 0.00 -1.03 0.00 0.00 54.13 54.86 1xz7 s LEU 2 Cb 0.00 -3.56 0.07 0.00 0.03 0.00 0.00 46.19 42.73 1xz7 s LEU 2 CO 0.00 -0.55 1.13 -0.94 0.23 0.00 0.00 176.35 176.22 1xz7 s SER 3 N 1.38 4.67 0.26 2.29 1.04 -1.26 -4.88 113.70 117.21 1xz7 s SER 3 Ca 0.57 0.73 -0.03 0.00 0.48 0.00 0.00 55.95 57.70 1xz7 s SER 3 Cb -0.26 -1.29 0.42 0.00 0.10 0.00 0.00 66.02 64.99 1xz7 s SER 3 CO 0.24 -1.77 1.86 -0.65 0.98 0.00 0.00 173.24 173.89 1xz7 h PRO 4 N -0.90 1.02 -0.77 4.02 0.11 -2.00 -1.81 132.00 131.67 1xz7 h PRO 4 Ca -0.46 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 1xz7 h PRO 4 Cb 1.32 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1xz7 h PRO 4 CO 0.64 0.67 0.28 0.00 -0.21 0.00 0.00 178.00 179.38 1xz7 h ALA 5 N 1.46 1.01 -0.58 -0.75 0.00 -1.99 -1.64 119.26 116.77 1xz7 h ALA 5 Ca 0.43 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1xz7 h ALA 5 Cb 0.26 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1xz7 h ALA 5 CO -0.20 0.66 0.37 -0.44 0.00 0.00 0.00 179.25 179.64 1xz7 h ASP 6 N 1.13 0.68 -0.66 0.00 3.32 -1.77 0.62 116.42 119.74 1xz7 h ASP 6 Ca 0.25 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 1xz7 h ASP 6 Cb 0.26 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 1xz7 h ASP 6 CO -0.01 0.51 0.36 0.11 -1.72 0.00 0.00 179.24 178.48 1xz7 h LYS 7 N 0.78 0.93 -0.42 3.56 1.57 -0.81 0.93 116.57 123.11 1xz7 h LYS 7 Ca 0.21 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1xz7 h LYS 7 Cb -0.07 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 1xz7 h LYS 7 CO -0.04 0.71 0.20 1.15 -0.57 0.00 0.00 179.45 180.90 1xz7 h THR 8 N 0.91 1.18 -0.08 -0.16 2.02 -1.08 -1.23 112.91 114.47 1xz7 h THR 8 Ca 0.23 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 66.92 1xz7 h THR 8 Cb 0.05 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1xz7 h THR 8 CO -0.04 0.19 0.03 0.78 0.37 0.00 0.00 175.52 176.85 1xz7 h ASN 9 N 0.53 0.04 -0.49 4.18 2.35 -0.06 -1.49 115.58 120.64 1xz7 h ASN 9 Ca 0.14 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.86 1xz7 h ASN 9 Cb 0.12 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1xz7 h ASN 9 CO -0.02 0.03 0.16 0.58 -1.65 0.00 0.00 177.43 176.54 1xz7 h VAL 10 N 0.07 1.22 -0.56 2.81 2.07 -0.73 -1.97 116.25 119.16 1xz7 h VAL 10 Ca 0.03 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 66.84 1xz7 h VAL 10 Cb 0.01 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1xz7 h VAL 10 CO -0.03 0.27 0.34 0.11 0.02 0.00 0.00 177.57 178.28 1xz7 h LYS 11 N 0.65 0.66 0.29 1.57 1.57 -1.06 0.26 116.57 120.52 1xz7 h LYS 11 Ca 0.16 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1xz7 h LYS 11 Cb 0.25 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1xz7 h LYS 11 CO -0.01 0.44 -0.14 0.00 -0.57 0.00 0.00 179.45 179.17 1xz7 h ALA 12 N 1.24 -0.39 -0.17 3.86 0.00 -1.03 0.22 119.26 122.99 1xz7 h ALA 12 Ca 0.22 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1xz7 h ALA 12 Cb 0.01 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1xz7 h ALA 12 CO -0.09 -0.67 -0.14 0.00 0.00 0.00 0.00 179.25 178.34 1xz7 h ALA 13 N 0.20 -0.02 -0.35 0.00 0.00 -1.26 -2.42 119.26 115.41 1xz7 h ALA 13 Ca -0.04 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1xz7 h ALA 13 Cb 0.36 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1xz7 h ALA 13 CO 0.07 -0.58 -0.14 2.35 0.00 0.00 0.00 179.25 180.95 1xz7 h TRP 14 N -0.15 0.67 -0.91 0.00 2.91 -0.85 -2.14 115.95 115.48 1xz7 h TRP 14 Ca 0.11 -0.12 0.10 0.00 1.13 0.00 0.00 58.89 60.11 1xz7 h TRP 14 Cb 0.31 -0.17 -0.08 0.00 -0.51 0.00 0.00 29.16 28.71 1xz7 h TRP 14 CO -0.28 0.72 0.55 0.78 -1.03 0.00 0.00 178.44 179.19 1xz7 h GLY 15 N 0.97 1.44 1.74 2.65 0.00 -0.48 -1.96 103.07 107.42 1xz7 h GLY 15 Ca 0.10 -0.38 -0.14 0.00 0.00 0.00 0.00 47.33 46.91 1xz7 h GLY 15 CO 0.04 0.18 -0.53 0.50 0.00 0.00 0.00 176.54 176.72 1xz7 h LYS 16 N 0.93 0.28 -0.50 4.80 1.79 -0.97 -2.83 116.57 120.07 1xz7 h LYS 16 Ca 0.43 -0.17 0.09 0.00 -2.18 0.00 0.00 60.65 58.83 1xz7 h LYS 16 Cb 0.37 0.02 -0.08 0.00 -1.58 0.00 0.00 32.23 30.96 1xz7 h LYS 16 CO -0.24 0.75 0.05 0.28 -1.08 0.00 0.00 179.45 179.20 1xz7 h VAL 17 N 0.22 0.66 0.00 0.50 2.07 -1.06 -3.44 116.25 115.19 1xz7 h VAL 17 Ca 0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1xz7 h VAL 17 Cb 1.01 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1xz7 h VAL 17 CO 0.09 0.03 0.00 0.61 0.02 0.00 0.00 177.57 178.32 1xz7 n GLY 18 N -1.30 3.21 0.00 2.17 0.00 -1.07 -1.51 105.19 106.69 1xz7 n GLY 18 Ca 0.06 0.27 0.14 0.00 0.00 0.00 0.00 46.02 46.48 1xz7 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xz7 n ALA 19 N 11.48 2.33 1.49 4.61 0.00 -1.26 -3.28 120.51 135.88 1xz7 n ALA 19 Ca 0.00 -0.10 0.14 0.00 0.00 0.00 0.00 53.44 53.48 1xz7 n ALA 19 Cb 0.00 -1.46 0.52 0.00 0.00 0.00 0.00 19.45 18.51 1xz7 n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xz7 n HIS 20 N -1.48 0.01 -0.22 0.00 8.25 -0.57 -4.46 115.22 116.76 1xz7 n HIS 20 Ca 0.08 -0.01 0.01 0.00 -0.26 0.00 0.00 57.72 57.54 1xz7 n HIS 20 Cb 0.32 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.52 1xz7 n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xz7 h ALA 21 N 4.34 0.52 -0.69 -1.41 0.00 -1.66 0.06 119.26 120.42 1xz7 h ALA 21 Ca 0.00 0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1xz7 h ALA 21 Cb 0.49 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1xz7 h ALA 21 CO 0.00 -0.42 0.46 0.78 0.00 0.00 0.00 179.25 180.07 1xz7 h GLY 22 N 0.04 0.97 1.08 0.00 0.00 -1.85 0.12 103.07 103.43 1xz7 h GLY 22 Ca 0.32 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 47.23 1xz7 h GLY 22 CO -0.62 0.35 0.21 0.83 0.00 0.00 0.00 176.54 177.31 1xz7 h GLU 23 N 0.93 1.15 -0.19 4.80 5.08 -1.51 -2.24 114.58 122.59 1xz7 h GLU 23 Ca 0.25 -0.26 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 1xz7 h GLU 23 Cb -0.10 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 28.98 1xz7 h GLU 23 CO -0.06 0.99 -0.60 1.88 -1.00 0.00 0.00 179.01 180.22 1xz7 h TYR 24 N 1.09 0.78 -0.58 4.33 0.05 -0.38 -0.94 116.97 121.32 1xz7 h TYR 24 Ca 0.23 -0.29 0.05 0.00 0.05 0.00 0.00 58.73 58.77 1xz7 h TYR 24 Cb 0.33 -0.14 -0.05 0.00 1.01 0.00 0.00 36.73 37.88 1xz7 h TYR 24 CO 0.03 1.05 0.30 0.78 -1.05 0.00 0.00 178.16 179.27 1xz7 h GLY 25 N 0.98 0.83 0.96 3.88 0.00 -0.62 -0.17 103.07 108.93 1xz7 h GLY 25 Ca -0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 1xz7 h GLY 25 CO 0.11 0.13 0.04 0.00 0.00 0.00 0.00 176.54 176.83 1xz7 h ALA 26 N 1.31 0.58 -0.59 3.60 0.00 -1.26 -1.82 119.26 121.08 1xz7 h ALA 26 Ca 0.26 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1xz7 h ALA 26 Cb 0.16 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1xz7 h ALA 26 CO -0.17 0.33 0.39 1.49 0.00 0.00 0.00 179.25 181.28 1xz7 h GLU 27 N 0.59 0.77 -0.64 0.00 4.81 -0.87 -0.93 114.58 118.31 1xz7 h GLU 27 Ca 0.13 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1xz7 h GLU 27 Cb 0.42 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 1xz7 h GLU 27 CO 0.01 0.51 0.31 0.00 -0.73 0.00 0.00 179.01 179.11 1xz7 h ALA 28 N 1.22 1.35 -0.29 2.92 0.00 -0.82 -0.25 119.26 123.39 1xz7 h ALA 28 Ca 0.22 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1xz7 h ALA 28 Cb -0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1xz7 h ALA 28 CO -0.05 0.51 -0.12 -0.07 0.00 0.00 0.00 179.25 179.52 1xz7 h LEU 29 N 0.90 0.61 -0.34 0.00 3.38 -0.71 -0.66 115.31 118.50 1xz7 h LEU 29 Ca 0.22 -0.40 0.04 0.00 0.09 0.00 0.00 57.88 57.83 1xz7 h LEU 29 Cb 0.08 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1xz7 h LEU 29 CO -0.03 0.87 0.12 -0.08 0.09 0.00 0.00 178.44 179.41 1xz7 h GLU 30 N 0.35 0.27 -0.48 1.13 4.81 -0.72 -0.10 114.58 119.83 1xz7 h GLU 30 Ca 0.07 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1xz7 h GLU 30 Cb 0.63 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.90 1xz7 h GLU 30 CO 0.04 0.18 0.21 0.00 -0.73 0.00 0.00 179.01 178.70 1xz7 h ARG 31 N 0.27 0.40 -0.46 1.92 3.08 -0.89 -2.33 114.38 116.38 1xz7 h ARG 31 Ca 0.15 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1xz7 h ARG 31 Cb 0.11 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1xz7 h ARG 31 CO -0.15 0.27 0.29 1.98 -1.07 0.00 0.00 179.97 181.29 1xz7 h MET 32 N 0.42 0.61 -0.30 0.04 4.05 -0.31 -0.66 114.93 118.78 1xz7 h MET 32 Ca 0.22 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.54 1xz7 h MET 32 Cb 0.17 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 30.82 1xz7 h MET 32 CO -0.18 0.42 -0.02 0.74 0.23 0.00 0.00 176.91 178.10 1xz7 h PHE 33 N 0.62 0.48 0.22 1.39 0.04 -0.88 -0.25 116.94 118.56 1xz7 h PHE 33 Ca 0.17 -0.05 -0.31 0.00 2.80 0.00 0.00 57.97 60.57 1xz7 h PHE 33 Cb -0.04 -0.14 0.03 0.00 2.20 0.00 0.00 35.95 38.00 1xz7 h PHE 33 CO -0.04 0.50 -1.42 -0.07 -0.60 0.00 0.00 178.31 176.68 1xz7 h LEU 34 N 0.45 0.74 -0.18 1.54 3.38 -1.29 -3.24 115.31 116.70 1xz7 h LEU 34 Ca 0.10 -0.93 -0.22 0.00 0.09 0.00 0.00 57.88 56.92 1xz7 h LEU 34 Cb 0.33 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1xz7 h LEU 34 CO 0.01 1.67 -0.95 0.28 0.09 0.00 0.00 178.44 179.54 1xz7 h SER 35 N 0.04 0.34 -2.31 -0.43 0.02 -1.03 -3.39 113.55 106.79 1xz7 h SER 35 Ca -0.26 -0.29 -0.59 0.00 -0.84 0.00 0.00 61.79 59.82 1xz7 h SER 35 Cb 2.06 -0.10 -0.39 0.00 0.14 0.00 0.00 62.40 64.10 1xz7 h SER 35 CO 0.23 1.12 -0.91 0.49 -1.14 0.00 0.00 176.83 176.62 1xz7 n PHE 36 N -3.65 0.51 -0.03 3.45 3.72 -0.12 -5.00 117.46 116.34 1xz7 n PHE 36 Ca -0.05 -3.66 0.24 0.00 -0.05 0.00 0.00 57.45 53.93 1xz7 n PHE 36 Cb 0.85 -0.19 0.72 0.00 -0.94 0.00 0.00 39.48 39.91 1xz7 n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1xz7 h PRO 37 N 4.82 0.00 0.00 -1.08 0.11 -1.75 -0.42 132.00 133.68 1xz7 h PRO 37 Ca 0.17 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 1xz7 h PRO 37 Cb 0.84 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 1xz7 h PRO 37 CO 0.52 0.00 -0.06 1.79 -0.21 0.00 0.00 178.00 180.03 1xz7 h THR 38 N 0.00 0.50 0.00 -1.15 1.35 -1.92 -1.09 112.91 110.60 1xz7 h THR 38 Ca 0.30 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.87 1xz7 h THR 38 Cb 1.45 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 1xz7 h THR 38 CO -0.00 0.06 0.00 0.71 -0.25 0.00 0.00 175.52 176.04 1xz7 h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.39 -2.35 112.91 117.34 1xz7 h THR 39 Ca -0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1xz7 h THR 39 Cb 0.19 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 1xz7 h THR 39 CO 0.01 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.39 1xz7 h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.38 -3.04 116.57 118.45 1xz7 h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xz7 h LYS 40 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1xz7 h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1xz7 h THR 41 N 0.00 0.00 -0.00 -0.16 1.35 -1.60 -2.33 112.91 110.17 1xz7 h THR 41 Ca 0.00 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1xz7 h THR 41 Cb 0.34 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1xz7 h THR 41 CO 0.00 0.00 -0.38 -1.22 -0.25 0.00 0.00 175.52 173.67 1xz7 n TYR 42 N -2.65 0.00 -2.55 4.73 4.01 -1.15 -4.29 117.16 115.27 1xz7 n TYR 42 Ca -0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.53 1xz7 n TYR 42 Cb 0.17 -0.31 0.01 0.00 -0.31 0.00 0.00 39.34 38.91 1xz7 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1xz7 n PHE 43 N -1.49 2.58 0.28 -0.72 3.01 -0.87 -4.85 117.46 115.39 1xz7 n PHE 43 Ca 0.06 -3.01 0.17 0.00 1.01 0.00 0.00 57.45 55.68 1xz7 n PHE 43 Cb 0.34 -0.19 0.76 0.00 -0.01 0.00 0.00 39.48 40.38 1xz7 n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1xz7 h PRO 44 N 2.74 0.00 -0.01 -1.08 0.13 -1.75 -2.48 132.00 129.55 1xz7 h PRO 44 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1xz7 h PRO 44 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1xz7 h PRO 44 CO 0.72 0.03 -0.07 -2.39 -0.23 0.00 0.00 178.00 176.06 1xz7 n HIS 45 N -3.17 0.00 -3.89 1.56 1.44 -1.26 -4.88 115.22 105.01 1xz7 n HIS 45 Ca -0.00 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.39 1xz7 n HIS 45 Cb 0.27 -0.09 -0.04 0.00 0.12 0.00 0.00 29.99 30.25 1xz7 n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1xz7 s PHE 46 N -2.24 3.53 -0.22 -1.40 0.40 -0.94 -5.06 117.98 112.05 1xz7 s PHE 46 Ca 0.35 0.32 -0.28 0.00 -0.60 0.00 0.00 56.93 56.71 1xz7 s PHE 46 Cb 0.21 -1.81 0.01 0.00 0.51 0.00 0.00 43.02 41.94 1xz7 s PHE 46 CO 0.42 0.60 1.01 0.34 0.70 0.00 0.00 175.22 178.29 1xz7 s ASP 47 N -2.28 7.07 -0.06 1.36 -1.08 -1.26 -4.93 116.67 115.50 1xz7 s ASP 47 Ca 0.32 1.34 0.19 0.00 -0.52 0.00 0.00 52.55 53.89 1xz7 s ASP 47 Cb -0.13 -2.53 0.65 0.00 -1.46 0.00 0.00 42.92 39.45 1xz7 s ASP 47 CO 0.24 -0.63 1.55 0.18 0.52 0.00 0.00 175.17 177.04 1xz7 n LEU 48 N 6.16 4.25 -4.71 -1.34 4.77 -1.26 -4.49 117.00 120.37 1xz7 n LEU 48 Ca 0.11 -2.25 -0.32 0.00 -0.03 0.00 0.00 56.01 53.52 1xz7 n LEU 48 Cb 0.46 -0.51 0.12 0.00 -2.33 0.00 0.00 43.42 41.17 1xz7 n LEU 48 CO 0.51 0.87 0.72 -0.94 -1.33 0.00 0.00 177.39 177.23 1xz7 s SER 49 N -0.99 3.70 0.14 -1.43 1.04 -1.26 -4.88 113.70 110.02 1xz7 s SER 49 Ca 0.47 2.15 -0.32 0.00 0.48 0.00 0.00 55.95 58.73 1xz7 s SER 49 Cb 0.28 -2.56 -0.12 0.00 0.10 0.00 0.00 66.02 63.72 1xz7 s SER 49 CO 0.27 -2.58 1.74 1.57 0.98 0.00 0.00 173.24 175.22 1xz7 n HIS 50 N -3.58 2.55 -0.54 5.02 -0.00 -1.26 -1.78 115.22 115.62 1xz7 n HIS 50 Ca 0.12 0.03 0.00 0.00 0.46 0.00 0.00 57.72 58.32 1xz7 n HIS 50 Cb 0.52 -2.66 0.00 0.00 -0.12 0.00 0.00 29.99 27.73 1xz7 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1xz7 n GLY 51 N 3.96 1.44 3.56 1.57 0.00 -1.26 -5.03 105.19 109.43 1xz7 n GLY 51 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1xz7 n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xz7 n SER 52 N 0.00 0.00 0.15 1.61 3.41 -0.74 -4.87 113.62 113.19 1xz7 n SER 52 Ca 0.00 0.74 0.02 0.00 -0.26 0.00 0.00 58.87 59.37 1xz7 n SER 52 Cb 0.00 -1.31 0.19 0.00 -0.26 0.00 0.00 64.21 62.83 1xz7 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xz7 h ALA 53 N 0.22 0.86 -0.36 7.33 0.00 -1.91 -3.04 119.26 122.36 1xz7 h ALA 53 Ca -0.47 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 53.91 1xz7 h ALA 53 Cb 1.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1xz7 h ALA 53 CO 0.48 0.67 0.07 1.96 0.00 0.00 0.00 179.25 182.43 1xz7 h GLN 54 N 0.00 0.59 -0.50 0.00 4.20 -1.91 -1.04 115.11 116.46 1xz7 h GLN 54 Ca -0.01 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.52 1xz7 h GLN 54 Cb 1.13 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.82 1xz7 h GLN 54 CO 0.07 0.65 0.19 0.28 -0.67 0.00 0.00 178.83 179.35 1xz7 h VAL 55 N 0.43 1.22 -0.23 -0.54 2.07 -1.78 0.12 116.25 117.53 1xz7 h VAL 55 Ca 0.11 -0.69 0.04 0.00 0.82 0.00 0.00 66.70 66.98 1xz7 h VAL 55 Cb 0.34 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 1xz7 h VAL 55 CO 0.01 0.26 -0.02 0.11 0.02 0.00 0.00 177.57 177.95 1xz7 h LYS 56 N 0.67 0.05 -0.52 1.57 1.57 -1.46 0.13 116.57 118.58 1xz7 h LYS 56 Ca 0.16 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 1xz7 h LYS 56 Cb 0.22 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1xz7 h LYS 56 CO -0.01 0.03 0.23 0.78 -0.57 0.00 0.00 179.45 179.91 1xz7 h GLY 57 N 0.05 0.83 1.16 3.86 0.00 -0.88 -2.26 103.07 105.82 1xz7 h GLY 57 Ca 0.11 -0.44 -0.11 0.00 0.00 0.00 0.00 47.33 46.89 1xz7 h GLY 57 CO -0.20 0.41 -0.11 0.84 0.00 0.00 0.00 176.54 177.48 1xz7 h HIS 58 N 0.70 1.09 -0.66 5.60 -0.00 -0.45 -2.79 115.15 118.65 1xz7 h HIS 58 Ca 0.18 -0.22 0.07 0.00 -0.00 0.00 0.00 60.37 60.40 1xz7 h HIS 58 Cb 0.17 -0.27 -0.06 0.00 -0.00 0.00 0.00 27.41 27.24 1xz7 h HIS 58 CO 0.00 1.02 0.33 0.78 -0.00 0.00 0.00 177.93 180.07 1xz7 h GLY 59 N 0.95 0.96 1.01 5.26 0.00 -0.53 -0.80 103.07 109.92 1xz7 h GLY 59 Ca 0.14 -0.22 0.01 0.00 0.00 0.00 0.00 47.33 47.26 1xz7 h GLY 59 CO 0.05 0.10 0.58 1.70 0.00 0.00 0.00 176.54 178.96 1xz7 h LYS 60 N 0.60 1.15 -0.38 4.80 3.64 -1.21 -0.78 116.57 124.38 1xz7 h LYS 60 Ca 0.31 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.51 1xz7 h LYS 60 Cb 0.27 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1xz7 h LYS 60 CO -0.22 0.76 -0.21 0.87 -2.27 0.00 0.00 179.45 178.38 1xz7 h LYS 61 N 1.18 0.82 -0.04 1.90 1.57 -1.09 0.30 116.57 121.21 1xz7 h LYS 61 Ca 0.32 -0.37 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1xz7 h LYS 61 Cb -0.14 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 1xz7 h LYS 61 CO -0.07 1.00 0.02 0.28 -0.57 0.00 0.00 179.45 180.11 1xz7 h VAL 62 N 0.62 1.11 -0.60 0.50 2.07 -1.06 -1.74 116.25 117.15 1xz7 h VAL 62 Ca 0.08 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 67.31 1xz7 h VAL 62 Cb 0.77 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 1xz7 h VAL 62 CO 0.06 0.09 0.37 0.00 0.02 0.00 0.00 177.57 178.10 1xz7 h ALA 63 N 0.89 0.78 -0.60 1.67 0.00 -1.03 -1.40 119.26 119.57 1xz7 h ALA 63 Ca 0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1xz7 h ALA 63 Cb 0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1xz7 h ALA 63 CO -0.00 0.10 0.24 -0.44 0.00 0.00 0.00 179.25 179.15 1xz7 h ASP 64 N 0.72 0.79 -0.71 0.00 5.19 -0.80 -0.81 116.42 120.80 1xz7 h ASP 64 Ca 0.24 -0.10 -0.07 0.00 -0.62 0.00 0.00 57.03 56.48 1xz7 h ASP 64 Cb 0.03 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.30 1xz7 h ASP 64 CO -0.10 0.71 0.18 0.00 -3.12 0.00 0.00 179.24 176.91 1xz7 h ALA 65 N 1.41 0.94 -0.56 3.45 0.00 -0.70 -1.32 119.26 122.48 1xz7 h ALA 65 Ca 0.20 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1xz7 h ALA 65 Cb 0.17 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1xz7 h ALA 65 CO -0.02 0.66 0.19 -0.07 0.00 0.00 0.00 179.25 180.01 1xz7 h LEU 66 N 1.07 0.79 -0.87 0.00 3.38 -0.64 -0.83 115.31 118.22 1xz7 h LEU 66 Ca 0.23 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 58.06 1xz7 h LEU 66 Cb 0.36 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 1xz7 h LEU 66 CO 0.00 0.77 0.54 0.74 0.09 0.00 0.00 178.44 180.59 1xz7 h THR 67 N 0.77 1.05 -0.68 0.22 2.02 -0.99 -0.04 112.91 115.27 1xz7 h THR 67 Ca 0.18 -0.34 -0.06 0.00 0.77 0.00 0.00 66.41 66.96 1xz7 h THR 67 Cb 0.25 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.60 1xz7 h THR 67 CO -0.01 0.18 0.20 -1.13 0.37 0.00 0.00 175.52 175.13 1xz7 h ASN 68 N 0.99 1.00 -0.56 4.18 -1.24 -0.78 -2.31 115.58 116.86 1xz7 h ASN 68 Ca 0.38 -0.22 -0.11 0.00 0.71 0.00 0.00 56.30 57.06 1xz7 h ASN 68 Cb 0.16 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 38.93 1xz7 h ASN 68 CO -0.17 0.95 -0.08 0.00 -1.29 0.00 0.00 177.43 176.84 1xz7 h ALA 69 N 1.08 0.79 -0.74 1.57 0.00 -0.37 -1.55 119.26 120.04 1xz7 h ALA 69 Ca 0.22 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1xz7 h ALA 69 Cb 0.32 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1xz7 h ALA 69 CO -0.00 0.67 0.40 0.28 0.00 0.00 0.00 179.25 180.60 1xz7 h VAL 70 N 0.94 1.23 -0.07 0.00 2.07 -0.89 0.75 116.25 120.28 1xz7 h VAL 70 Ca 0.15 -0.59 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 1xz7 h VAL 70 Cb 0.65 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1xz7 h VAL 70 CO 0.04 0.26 -0.31 0.00 0.02 0.00 0.00 177.57 177.58 1xz7 h ALA 71 N 1.20 1.36 -0.73 1.67 0.00 -1.25 -3.12 119.26 118.40 1xz7 h ALA 71 Ca 0.26 -0.32 -0.50 0.00 0.00 0.00 0.00 54.91 54.35 1xz7 h ALA 71 Cb 0.06 -0.07 -0.32 0.00 0.00 0.00 0.00 17.79 17.45 1xz7 h ALA 71 CO -0.04 0.46 -0.24 0.72 0.00 0.00 0.00 179.25 180.15 1xz7 n HIS 72 N -4.13 2.51 0.27 0.00 8.25 -0.60 -4.82 115.22 116.70 1xz7 n HIS 72 Ca -0.02 -2.30 0.12 0.00 -0.26 0.00 0.00 57.72 55.26 1xz7 n HIS 72 Cb 0.38 -0.66 0.77 0.00 1.12 0.00 0.00 29.99 31.61 1xz7 n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1xz7 h VAL 73 N 1.63 0.77 -0.01 1.59 3.04 -0.80 0.79 116.25 123.26 1xz7 h VAL 73 Ca 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.09 1xz7 h VAL 73 Cb 1.37 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 31.64 1xz7 h VAL 73 CO 0.89 0.00 -0.06 0.47 -1.01 0.00 0.00 177.57 177.86 1xz7 n ASP 74 N -4.21 0.80 -2.75 3.17 8.00 -1.26 -4.22 116.55 116.07 1xz7 n ASP 74 Ca -0.03 -1.04 -0.01 0.00 0.71 0.00 0.00 54.79 54.43 1xz7 n ASP 74 Cb 0.11 -0.01 0.08 0.00 -0.02 0.00 0.00 41.12 41.28 1xz7 n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1xz7 n ASP 75 N -0.52 0.26 -0.30 -2.24 2.03 0.21 -5.01 116.55 110.98 1xz7 n ASP 75 Ca 0.18 -2.11 -0.03 0.00 0.52 0.00 0.00 54.79 53.35 1xz7 n ASP 75 Cb 0.28 0.02 0.09 0.00 -0.72 0.00 0.00 41.12 40.79 1xz7 n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1xz7 h MET 76 N 1.90 1.03 -0.94 -0.67 2.86 -1.55 -2.26 114.93 115.30 1xz7 h MET 76 Ca -0.27 -0.06 0.11 0.00 -2.06 0.00 0.00 59.70 57.41 1xz7 h MET 76 Cb 1.29 -0.23 -0.07 0.00 0.06 0.00 0.00 31.60 32.64 1xz7 h MET 76 CO 0.02 0.68 0.60 -1.35 1.06 0.00 0.00 176.91 177.92 1xz7 h PRO 77 N 1.06 0.90 -0.03 -0.22 0.11 -1.95 0.34 132.00 132.21 1xz7 h PRO 77 Ca 0.31 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 66.19 1xz7 h PRO 77 Cb -0.07 -0.20 0.01 0.00 0.11 0.00 0.00 31.00 30.85 1xz7 h PRO 77 CO -0.09 0.59 -0.64 -0.91 -0.21 0.00 0.00 178.00 176.74 1xz7 h ASN 78 N 0.92 0.62 0.34 -2.05 4.21 -1.86 -2.17 115.58 115.60 1xz7 h ASN 78 Ca 0.45 -0.72 -0.06 0.00 1.21 0.00 0.00 56.30 57.17 1xz7 h ASN 78 Cb 0.45 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.45 1xz7 h ASN 78 CO -0.21 1.26 -0.31 0.00 -1.29 0.00 0.00 177.43 176.88 1xz7 h ALA 79 N 0.38 1.44 -0.50 -0.83 0.00 -0.85 -2.94 119.26 115.96 1xz7 h ALA 79 Ca -0.07 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1xz7 h ALA 79 Cb 1.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1xz7 h ALA 79 CO 0.13 0.38 0.00 1.28 0.00 0.00 0.00 179.25 181.04 1xz7 n LEU 80 N -4.09 3.55 -0.18 0.00 4.77 0.06 -4.70 117.00 116.40 1xz7 n LEU 80 Ca -0.02 -2.13 -0.02 0.00 -0.03 0.00 0.00 56.01 53.81 1xz7 n LEU 80 Cb 0.36 -0.38 0.04 0.00 -2.33 0.00 0.00 43.42 41.11 1xz7 n LEU 80 CO 0.37 0.82 0.74 0.77 -1.33 0.00 0.00 177.39 178.76 1xz7 h SER 81 N 2.96 -0.60 -0.72 -1.43 4.64 -1.20 0.57 113.55 117.77 1xz7 h SER 81 Ca 0.00 0.18 0.06 0.00 -0.47 0.00 0.00 61.79 61.55 1xz7 h SER 81 Cb 0.96 0.38 -0.05 0.00 -0.31 0.00 0.00 62.40 63.37 1xz7 h SER 81 CO 0.05 -0.21 0.42 0.00 -0.87 0.00 0.00 176.83 176.22 1xz7 h ALA 82 N 1.49 0.96 -0.18 5.18 0.00 -1.84 0.12 119.26 124.98 1xz7 h ALA 82 Ca 0.27 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 1xz7 h ALA 82 Cb 0.44 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1xz7 h ALA 82 CO -0.59 0.12 -0.41 -0.07 0.00 0.00 0.00 179.25 178.31 1xz7 h LEU 83 N 0.78 0.44 -0.07 0.00 3.38 -1.57 -0.90 115.31 117.36 1xz7 h LEU 83 Ca 0.31 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1xz7 h LEU 83 Cb 0.16 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1xz7 h LEU 83 CO -0.17 0.80 0.04 -1.28 0.09 0.00 0.00 178.44 177.92 1xz7 h SER 84 N 0.35 0.10 -0.38 -0.43 0.87 -0.06 -1.38 113.55 112.61 1xz7 h SER 84 Ca 0.03 -0.12 0.05 0.00 -1.23 0.00 0.00 61.79 60.52 1xz7 h SER 84 Cb 0.87 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.76 1xz7 h SER 84 CO 0.07 0.19 0.13 0.44 -0.53 0.00 0.00 176.83 177.13 1xz7 h ASP 85 N 0.00 0.14 -0.06 6.23 3.32 -0.59 -1.90 116.42 123.55 1xz7 h ASP 85 Ca 0.03 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.13 1xz7 h ASP 85 Cb 0.12 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1xz7 h ASP 85 CO -0.00 0.11 -0.02 0.25 -1.72 0.00 0.00 179.24 177.86 1xz7 h LEU 86 N 0.29 -0.06 -1.02 1.55 5.85 -0.98 -1.18 115.31 119.76 1xz7 h LEU 86 Ca 0.18 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.84 1xz7 h LEU 86 Cb 0.16 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1xz7 h LEU 86 CO -0.18 -0.02 -0.07 0.45 -0.34 0.00 0.00 178.44 178.27 1xz7 h HIS 87 N -0.00 0.66 0.02 1.25 3.86 -1.14 -1.21 115.15 118.59 1xz7 h HIS 87 Ca 0.03 -0.10 -0.22 0.00 -1.16 0.00 0.00 60.37 58.92 1xz7 h HIS 87 Cb 0.04 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.33 1xz7 h HIS 87 CO -0.12 0.68 -0.96 0.00 0.86 0.00 0.00 177.93 178.38 1xz7 h ALA 88 N 1.35 0.37 0.00 2.45 0.00 -0.99 -3.21 119.26 119.22 1xz7 h ALA 88 Ca 0.11 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1xz7 h ALA 88 Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1xz7 h ALA 88 CO 0.03 0.86 -0.68 0.72 0.00 0.00 0.00 179.25 180.18 1xz7 n HIS 89 N -3.70 0.00 0.00 0.00 8.25 -0.48 -4.72 115.22 114.58 1xz7 n HIS 89 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1xz7 n HIS 89 Cb 0.85 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.92 1xz7 n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1xz7 n LYS 90 N -1.36 3.06 -4.04 -0.41 4.81 -0.47 -5.06 118.16 114.69 1xz7 n LYS 90 Ca 0.01 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.22 1xz7 n LYS 90 Cb 0.19 -0.99 -0.06 0.00 0.02 0.00 0.00 35.03 34.19 1xz7 n LYS 90 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1xz7 s LEU 91 N -3.70 3.25 -0.31 3.14 1.43 -1.15 -5.04 118.68 116.30 1xz7 s LEU 91 Ca 0.00 -0.84 0.13 0.00 -1.03 0.00 0.00 54.13 52.39 1xz7 s LEU 91 Cb 0.00 -1.71 0.47 0.00 0.03 0.00 0.00 46.19 44.98 1xz7 s LEU 91 CO 0.00 -0.40 1.12 0.00 0.23 0.00 0.00 176.35 177.30 1xz7 n ALA 92 N -1.22 4.05 -2.30 4.21 0.00 -1.26 -4.61 120.51 119.37 1xz7 n ALA 92 Ca -0.02 -3.46 -0.43 0.00 0.00 0.00 0.00 53.44 49.53 1xz7 n ALA 92 Cb 0.62 -0.61 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1xz7 n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xz7 s VAL 93 N -4.31 3.93 0.27 0.00 1.01 -1.26 -4.96 120.40 115.08 1xz7 s VAL 93 Ca 0.40 1.03 -0.31 0.00 0.00 0.00 0.00 61.98 63.10 1xz7 s VAL 93 Cb 0.39 -4.02 -0.12 0.00 0.00 0.00 0.00 36.38 32.63 1xz7 s VAL 93 CO -0.02 -0.48 1.58 -0.67 0.00 0.00 0.00 175.10 175.51 1xz7 n ASP 94 N 8.25 3.66 -0.31 3.32 -0.08 -1.26 -4.85 116.55 125.27 1xz7 n ASP 94 Ca 0.17 1.13 0.32 0.00 -1.51 0.00 0.00 54.79 54.90 1xz7 n ASP 94 Cb 0.46 -1.56 0.69 0.00 2.34 0.00 0.00 41.12 43.06 1xz7 n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1xz7 h PRO 95 N 4.99 0.09 -0.09 -0.67 0.11 -2.01 -1.23 132.00 133.18 1xz7 h PRO 95 Ca -0.46 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.67 1xz7 h PRO 95 Cb 1.23 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1xz7 h PRO 95 CO 0.81 0.06 0.08 0.28 -0.21 0.00 0.00 178.00 179.02 1xz7 h VAL 96 N 0.09 0.76 0.00 3.15 2.07 -2.03 -2.31 116.25 117.98 1xz7 h VAL 96 Ca 0.56 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 68.00 1xz7 h VAL 96 Cb 2.06 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 1xz7 h VAL 96 CO -0.08 0.00 -0.40 0.78 0.02 0.00 0.00 177.57 177.89 1xz7 h ASN 97 N 0.00 0.00 -0.54 0.57 4.21 -1.57 -2.10 115.58 116.14 1xz7 h ASN 97 Ca 0.04 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.55 1xz7 h ASN 97 Cb 0.20 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.37 1xz7 h ASN 97 CO -0.00 0.40 0.32 -0.26 -1.29 0.00 0.00 177.43 176.60 1xz7 h PHE 98 N 0.00 0.74 -0.27 1.19 -1.00 -1.59 -1.38 116.94 114.63 1xz7 h PHE 98 Ca -0.00 -0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.68 1xz7 h PHE 98 Cb 0.76 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 40.06 1xz7 h PHE 98 CO 0.00 0.51 -0.25 0.87 -1.61 0.00 0.00 178.31 177.84 1xz7 h LYS 99 N 0.78 0.52 -0.22 1.51 1.57 -1.51 -0.76 116.57 118.46 1xz7 h LYS 99 Ca 0.20 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1xz7 h LYS 99 Cb 0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1xz7 h LYS 99 CO -0.04 0.73 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.37 1xz7 h LEU 100 N 0.46 0.50 -0.72 2.94 3.38 -1.22 -1.57 115.31 119.08 1xz7 h LEU 100 Ca 0.07 -0.43 -0.11 0.00 0.09 0.00 0.00 57.88 57.50 1xz7 h LEU 100 Cb 0.68 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1xz7 h LEU 100 CO 0.05 0.83 -0.22 0.25 0.09 0.00 0.00 178.44 179.44 1xz7 h LEU 101 N 0.19 0.76 -0.40 1.67 5.85 -1.25 -2.09 115.31 120.04 1xz7 h LEU 101 Ca 0.05 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1xz7 h LEU 101 Cb 0.65 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1xz7 h LEU 101 CO 0.04 0.96 0.26 0.28 -0.34 0.00 0.00 178.44 179.64 1xz7 h SER 102 N 0.65 0.46 -0.50 1.25 0.02 -0.98 0.45 113.55 114.91 1xz7 h SER 102 Ca 0.09 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1xz7 h SER 102 Cb 0.72 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.12 1xz7 h SER 102 CO 0.06 0.35 0.32 -0.74 -1.14 0.00 0.00 176.83 175.68 1xz7 h HIS 103 N 0.53 0.61 -0.01 3.45 -0.00 -1.14 -1.85 115.15 116.74 1xz7 h HIS 103 Ca 0.14 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.45 1xz7 h HIS 103 Cb -0.05 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.15 1xz7 h HIS 103 CO -0.04 0.38 -0.36 0.00 -0.00 0.00 0.00 177.93 177.90 1xz7 h LEU 105 N 0.01 1.02 -0.27 0.00 -0.00 -0.59 -1.46 115.31 114.02 1xz7 h LEU 105 Ca -0.00 -0.43 -0.02 0.00 -0.00 0.00 0.00 57.88 57.44 1xz7 h LEU 105 Cb 0.64 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 41.01 1xz7 h LEU 105 CO 0.05 1.23 0.10 -0.07 -0.00 0.00 0.00 178.44 179.75 1xz7 h LEU 106 N 0.82 0.37 -0.75 1.67 3.38 -0.90 0.11 115.31 120.00 1xz7 h LEU 106 Ca 0.09 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 57.95 1xz7 h LEU 106 Cb 0.89 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.48 1xz7 h LEU 106 CO 0.08 0.44 0.44 0.58 0.09 0.00 0.00 178.44 180.08 1xz7 h VAL 107 N 0.28 0.99 -0.34 1.22 2.07 -1.21 0.22 116.25 119.47 1xz7 h VAL 107 Ca 0.09 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1xz7 h VAL 107 Cb 0.19 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1xz7 h VAL 107 CO -0.01 0.15 0.08 0.74 0.02 0.00 0.00 177.57 178.55 1xz7 h THR 108 N 0.80 1.22 -0.63 2.57 2.02 -0.92 -1.46 112.91 116.51 1xz7 h THR 108 Ca 0.34 -0.76 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 1xz7 h THR 108 Cb 0.20 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 1xz7 h THR 108 CO -0.19 0.25 0.34 -0.07 0.37 0.00 0.00 175.52 176.22 1xz7 h LEU 109 N 0.39 0.80 -1.22 2.58 3.38 -0.54 -2.29 115.31 118.40 1xz7 h LEU 109 Ca 0.11 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1xz7 h LEU 109 Cb 0.31 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1xz7 h LEU 109 CO 0.00 0.67 0.33 0.00 0.09 0.00 0.00 178.44 179.54 1xz7 h ALA 110 N 1.16 1.40 -0.06 1.53 0.00 -0.34 0.24 119.26 123.20 1xz7 h ALA 110 Ca 0.22 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1xz7 h ALA 110 Cb 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1xz7 h ALA 110 CO -0.03 0.49 -0.49 0.00 0.00 0.00 0.00 179.25 179.21 1xz7 h ALA 111 N 1.49 1.06 0.00 0.00 0.00 -0.98 -3.31 119.26 117.52 1xz7 h ALA 111 Ca 0.22 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 1xz7 h ALA 111 Cb 0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1xz7 h ALA 111 CO -0.03 0.64 -2.07 0.72 0.00 0.00 0.00 179.25 178.51 1xz7 n HIS 112 N -3.95 0.00 -3.19 0.00 -0.00 -0.89 -4.71 115.22 102.48 1xz7 n HIS 112 Ca -0.02 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.45 1xz7 n HIS 112 Cb 0.53 -0.64 -0.06 0.00 -0.00 0.00 0.00 29.99 29.82 1xz7 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1xz7 n LEU 113 N -2.39 3.30 -0.20 2.41 4.77 0.80 -4.94 117.00 120.75 1xz7 n LEU 113 Ca -0.14 -5.40 -0.01 0.00 -0.03 0.00 0.00 56.01 50.43 1xz7 n LEU 113 Cb 0.75 -0.32 0.21 0.00 -2.33 0.00 0.00 43.42 41.73 1xz7 n LEU 113 CO 0.42 2.20 1.14 1.55 -1.33 0.00 0.00 177.39 181.37 1xz7 h PRO 114 N 3.57 0.96 -0.07 3.23 0.13 -1.80 -1.23 132.00 136.79 1xz7 h PRO 114 Ca 0.15 -0.11 -0.20 0.00 -0.87 0.00 0.00 66.00 64.97 1xz7 h PRO 114 Cb 0.66 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 31.60 1xz7 h PRO 114 CO 0.75 0.71 -0.78 0.00 -0.23 0.00 0.00 178.00 178.46 1xz7 h ALA 115 N 1.44 0.51 0.00 -0.56 0.00 -1.93 -3.24 119.26 115.47 1xz7 h ALA 115 Ca 0.24 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1xz7 h ALA 115 Cb 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xz7 h ALA 115 CO -0.04 0.76 -0.19 0.93 0.00 0.00 0.00 179.25 180.72 1xz7 h GLU 116 N 0.31 0.00 -2.84 0.00 3.07 -1.86 -3.39 114.58 109.87 1xz7 h GLU 116 Ca -0.04 0.00 -0.75 0.00 -0.50 0.00 0.00 59.36 58.07 1xz7 h GLU 116 Cb 1.37 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 29.14 1xz7 h GLU 116 CO 0.14 0.00 2.22 0.34 -1.40 0.00 0.00 179.01 180.31 1xz7 n PHE 117 N -2.38 2.67 -1.89 4.33 7.35 -0.51 -4.77 117.46 122.27 1xz7 n PHE 117 Ca 0.05 -2.79 -0.30 0.00 -0.76 0.00 0.00 57.45 53.64 1xz7 n PHE 117 Cb 0.45 -1.82 0.04 0.00 0.35 0.00 0.00 39.48 38.51 1xz7 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1xz7 s THR 118 N -0.93 3.54 0.32 -2.13 -4.23 -1.26 -4.77 115.64 106.17 1xz7 s THR 118 Ca 0.49 0.50 0.04 0.00 -1.18 0.00 0.00 61.69 61.54 1xz7 s THR 118 Cb 0.16 -3.49 0.30 0.00 1.34 0.00 0.00 72.50 70.80 1xz7 s THR 118 CO -0.06 -0.65 1.86 -0.65 -0.54 0.00 0.00 174.62 174.57 1xz7 h PRO 119 N -0.64 0.85 -0.43 3.99 0.11 -1.99 0.64 132.00 134.54 1xz7 h PRO 119 Ca -0.45 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 1xz7 h PRO 119 Cb 1.25 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1xz7 h PRO 119 CO 0.64 0.56 -0.20 0.00 -0.21 0.00 0.00 178.00 178.79 1xz7 h ALA 120 N 1.56 0.85 -0.12 -0.75 0.00 -1.96 -2.08 119.26 116.76 1xz7 h ALA 120 Ca 0.46 -0.37 -0.23 0.00 0.00 0.00 0.00 54.91 54.77 1xz7 h ALA 120 Cb 0.54 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1xz7 h ALA 120 CO -0.22 0.64 -0.84 0.28 0.00 0.00 0.00 179.25 179.11 1xz7 h VAL 121 N 0.73 1.28 -0.43 0.00 2.07 -1.66 -2.21 116.25 116.04 1xz7 h VAL 121 Ca 0.10 -2.04 0.07 0.00 0.82 0.00 0.00 66.70 65.65 1xz7 h VAL 121 Cb 0.72 2.08 -0.06 0.00 -1.52 0.00 0.00 31.29 32.51 1xz7 h VAL 121 CO 0.06 0.64 0.07 -0.74 0.02 0.00 0.00 177.57 177.62 1xz7 h HIS 122 N 0.50 0.12 -0.14 1.57 6.17 -0.86 0.25 115.15 122.76 1xz7 h HIS 122 Ca -0.07 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.04 1xz7 h HIS 122 Cb 1.47 0.01 -0.01 0.00 2.52 0.00 0.00 27.41 31.40 1xz7 h HIS 122 CO 0.09 -0.01 0.08 0.00 0.71 0.00 0.00 177.93 178.80 1xz7 h ALA 123 N 1.33 0.17 -0.43 5.26 0.00 -1.22 -1.14 119.26 123.24 1xz7 h ALA 123 Ca 0.21 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1xz7 h ALA 123 Cb 0.27 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1xz7 h ALA 123 CO -0.29 -0.35 0.24 0.77 0.00 0.00 0.00 179.25 179.62 1xz7 h SER 124 N 0.17 0.53 -0.75 0.00 0.02 -1.03 -1.49 113.55 111.01 1xz7 h SER 124 Ca 0.05 -0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 1xz7 h SER 124 Cb -0.01 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 1xz7 h SER 124 CO -0.02 0.46 0.30 -0.07 -1.14 0.00 0.00 176.83 176.36 1xz7 h LEU 125 N 0.56 1.04 -0.44 5.07 3.38 -0.83 0.59 115.31 124.67 1xz7 h LEU 125 Ca 0.15 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1xz7 h LEU 125 Cb 0.04 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1xz7 h LEU 125 CO -0.03 0.92 0.07 -0.78 0.09 0.00 0.00 178.44 178.72 1xz7 h ASP 126 N 1.10 0.70 -0.48 -0.43 3.58 -0.93 -0.40 116.42 119.57 1xz7 h ASP 126 Ca 0.25 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1xz7 h ASP 126 Cb 0.21 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 1xz7 h ASP 126 CO -0.02 0.78 0.31 0.11 -2.88 0.00 0.00 179.24 177.54 1xz7 h LYS 127 N 0.60 0.63 -0.25 0.28 1.57 -1.01 -1.13 116.57 117.26 1xz7 h LYS 127 Ca 0.13 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1xz7 h LYS 127 Cb 0.38 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1xz7 h LYS 127 CO 0.01 0.43 0.15 0.35 -0.57 0.00 0.00 179.45 179.82 1xz7 h PHE 128 N 0.65 0.33 -0.55 -1.35 3.57 -0.61 -0.14 116.94 118.82 1xz7 h PHE 128 Ca 0.17 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 1xz7 h PHE 128 Cb -0.06 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 1xz7 h PHE 128 CO -0.04 0.24 0.16 -0.07 -2.23 0.00 0.00 178.31 176.37 1xz7 h LEU 129 N 0.32 0.78 -0.89 0.59 3.38 -0.97 -1.23 115.31 117.29 1xz7 h LEU 129 Ca 0.09 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1xz7 h LEU 129 Cb 0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1xz7 h LEU 129 CO -0.02 0.75 0.01 0.00 0.09 0.00 0.00 178.44 179.28 1xz7 h ALA 130 N 1.36 1.08 -0.46 1.53 0.00 -0.85 -0.58 119.26 121.33 1xz7 h ALA 130 Ca 0.18 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1xz7 h ALA 130 Cb 0.26 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1xz7 h ALA 130 CO -0.01 0.58 0.05 0.77 0.00 0.00 0.00 179.25 180.65 1xz7 h SER 131 N 0.78 0.76 -0.41 0.00 0.02 -0.48 -0.86 113.55 113.35 1xz7 h SER 131 Ca 0.15 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1xz7 h SER 131 Cb 0.45 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1xz7 h SER 131 CO 0.02 0.85 0.21 0.58 -1.14 0.00 0.00 176.83 177.34 1xz7 h VAL 132 N 0.65 1.17 -0.66 2.27 2.07 -1.06 -1.29 116.25 119.40 1xz7 h VAL 132 Ca 0.14 -0.46 0.03 0.00 0.82 0.00 0.00 66.70 67.23 1xz7 h VAL 132 Cb 0.43 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1xz7 h VAL 132 CO 0.01 0.18 0.40 0.28 0.02 0.00 0.00 177.57 178.47 1xz7 h SER 133 N 0.53 0.65 -0.38 0.57 0.02 -0.92 -0.95 113.55 113.06 1xz7 h SER 133 Ca 0.14 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.14 1xz7 h SER 133 Cb 0.09 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 1xz7 h SER 133 CO -0.02 0.45 0.16 0.74 -1.14 0.00 0.00 176.83 177.02 1xz7 h THR 134 N 0.79 0.92 -0.64 -2.27 2.02 -0.86 -1.90 112.91 110.97 1xz7 h THR 134 Ca 0.27 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.31 1xz7 h THR 134 Cb 0.04 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 1xz7 h THR 134 CO -0.11 0.06 0.29 0.58 0.37 0.00 0.00 175.52 176.70 1xz7 h VAL 135 N 0.33 1.23 0.00 3.16 2.07 -0.55 -2.13 116.25 120.35 1xz7 h VAL 135 Ca 0.17 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1xz7 h VAL 135 Cb 0.12 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1xz7 h VAL 135 CO -0.15 0.27 -0.04 -0.07 0.02 0.00 0.00 177.57 177.60 1xz7 h LEU 136 N 0.90 0.00 -2.88 2.57 3.38 -0.70 -2.69 115.31 115.89 1xz7 h LEU 136 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1xz7 h LEU 136 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1xz7 h LEU 136 CO -0.02 0.04 0.00 0.35 0.09 0.00 0.00 178.44 178.90 1xz7 n THR 137 N -3.22 1.07 0.25 0.22 -2.24 -0.76 -4.56 114.28 105.04 1xz7 n THR 137 Ca -0.01 -1.04 0.13 0.00 -2.27 0.00 0.00 64.05 60.87 1xz7 n THR 137 Cb 0.24 0.46 0.53 0.00 -2.10 0.00 0.00 70.33 69.46 1xz7 n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1xz7 h SER 138 N 2.49 0.00 -0.49 3.42 4.64 -1.04 -2.97 113.55 119.60 1xz7 h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xz7 h SER 138 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1xz7 h SER 138 CO 0.01 0.10 0.00 0.29 -0.87 0.00 0.00 176.83 176.37 1xz7 n LYS 139 N -3.22 3.24 -0.29 4.77 5.02 -1.26 -4.64 118.16 121.77 1xz7 n LYS 139 Ca 0.01 -2.61 0.03 0.00 -2.02 0.00 0.00 58.31 53.72 1xz7 n LYS 139 Cb 0.39 -1.67 0.23 0.00 -0.02 0.00 0.00 35.03 33.97 1xz7 n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1xz7 h TYR 140 N 3.02 1.04 0.00 2.13 -1.99 -1.84 -3.46 116.97 115.87 1xz7 h TYR 140 Ca 0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1xz7 h TYR 140 Cb 1.19 -0.34 0.00 0.00 2.00 0.00 0.00 36.73 39.58 1xz7 h TYR 140 CO 0.53 0.57 0.00 2.89 -0.00 0.00 0.00 178.16 182.15