#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xz5 s LEU 2 N 0.00 4.31 0.64 3.17 1.43 -1.26 -5.06 118.68 121.91 1xz5 s LEU 2 Ca 0.00 1.30 -0.07 0.00 -1.03 0.00 0.00 54.13 54.33 1xz5 s LEU 2 Cb 0.00 -3.22 0.03 0.00 0.03 0.00 0.00 46.19 43.03 1xz5 s LEU 2 CO 0.00 -0.19 0.96 -0.94 0.23 0.00 0.00 176.35 176.41 1xz5 s SER 3 N 0.90 5.30 0.28 2.29 1.04 -1.26 -4.85 113.70 117.39 1xz5 s SER 3 Ca 0.41 0.65 0.01 0.00 0.48 0.00 0.00 55.95 57.51 1xz5 s SER 3 Cb -0.18 -1.50 0.56 0.00 0.10 0.00 0.00 66.02 64.99 1xz5 s SER 3 CO 0.20 -1.28 1.82 -0.65 0.98 0.00 0.00 173.24 174.31 1xz5 h PRO 4 N -0.37 0.91 0.26 4.02 0.11 -1.99 0.17 132.00 135.11 1xz5 h PRO 4 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1xz5 h PRO 4 Cb 1.28 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1xz5 h PRO 4 CO 0.61 0.60 -0.27 0.00 -0.21 0.00 0.00 178.00 178.73 1xz5 h ALA 5 N 1.54 -0.55 -0.53 -0.75 0.00 -2.00 -0.72 119.26 116.27 1xz5 h ALA 5 Ca 0.50 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.43 1xz5 h ALA 5 Cb 0.53 0.38 -0.09 0.00 0.00 0.00 0.00 17.79 18.62 1xz5 h ALA 5 CO -0.28 -0.84 -0.02 -0.44 0.00 0.00 0.00 179.25 177.67 1xz5 h ASP 6 N -0.56 -0.26 -0.78 0.00 3.32 -1.64 0.16 116.42 116.65 1xz5 h ASP 6 Ca -0.01 0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1xz5 h ASP 6 Cb 0.52 0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.27 1xz5 h ASP 6 CO -0.06 -0.10 0.49 0.11 -1.72 0.00 0.00 179.24 177.96 1xz5 h LYS 7 N 0.10 1.06 -0.46 3.56 1.57 -0.46 0.98 116.57 122.92 1xz5 h LYS 7 Ca 0.27 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 1xz5 h LYS 7 Cb 0.41 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1xz5 h LYS 7 CO -0.46 0.73 0.21 1.15 -0.57 0.00 0.00 179.45 180.51 1xz5 h THR 8 N 1.07 1.19 -0.30 -0.16 2.02 -0.52 -1.18 112.91 115.04 1xz5 h THR 8 Ca 0.28 -0.56 0.01 0.00 0.77 0.00 0.00 66.41 66.92 1xz5 h THR 8 Cb -0.06 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1xz5 h THR 8 CO -0.06 0.21 0.17 0.78 0.37 0.00 0.00 175.52 177.00 1xz5 h ASN 9 N 0.60 0.27 -0.38 4.18 -0.26 -0.45 -0.69 115.58 118.85 1xz5 h ASN 9 Ca 0.16 0.01 -0.10 0.00 -0.56 0.00 0.00 56.30 55.80 1xz5 h ASN 9 Cb 0.14 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.34 1xz5 h ASN 9 CO -0.02 0.20 -0.14 0.58 -1.06 0.00 0.00 177.43 176.99 1xz5 h VAL 10 N 0.35 1.28 -0.59 2.81 2.07 -0.68 -0.68 116.25 120.80 1xz5 h VAL 10 Ca 0.12 -1.25 -0.08 0.00 0.82 0.00 0.00 66.70 66.30 1xz5 h VAL 10 Cb 0.01 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1xz5 h VAL 10 CO -0.06 0.42 0.04 0.11 0.02 0.00 0.00 177.57 178.09 1xz5 h LYS 11 N 0.56 1.00 0.67 1.57 1.57 -1.13 -0.33 116.57 120.48 1xz5 h LYS 11 Ca 0.09 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.55 1xz5 h LYS 11 Cb 0.68 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.89 1xz5 h LYS 11 CO 0.05 0.96 -0.32 0.00 -0.57 0.00 0.00 179.45 179.57 1xz5 h ALA 12 N 1.10 -0.90 -0.44 3.86 0.00 -1.03 0.19 119.26 122.05 1xz5 h ALA 12 Ca 0.18 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1xz5 h ALA 12 Cb 0.49 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1xz5 h ALA 12 CO 0.02 -0.90 0.21 0.00 0.00 0.00 0.00 179.25 178.58 1xz5 h ALA 13 N -0.94 0.56 0.00 0.00 0.00 -1.13 -2.15 119.26 115.61 1xz5 h ALA 13 Ca -0.09 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1xz5 h ALA 13 Cb 0.72 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1xz5 h ALA 13 CO 0.15 0.13 -0.27 2.35 0.00 0.00 0.00 179.25 181.62 1xz5 h TRP 14 N 0.57 0.00 -0.65 0.00 2.91 -1.11 -2.26 115.95 115.41 1xz5 h TRP 14 Ca 0.15 0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.21 1xz5 h TRP 14 Cb 0.12 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 28.73 1xz5 h TRP 14 CO -0.01 0.27 0.39 0.78 -1.03 0.00 0.00 178.44 178.84 1xz5 h GLY 15 N 0.82 0.94 1.60 2.65 0.00 0.04 -1.74 103.07 107.38 1xz5 h GLY 15 Ca -0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 1xz5 h GLY 15 CO 0.03 0.23 -0.21 0.50 0.00 0.00 0.00 176.54 177.09 1xz5 h LYS 16 N 0.76 0.47 -0.57 4.80 1.79 -1.11 -2.71 116.57 120.00 1xz5 h LYS 16 Ca 0.27 -0.16 0.09 0.00 -2.18 0.00 0.00 60.65 58.67 1xz5 h LYS 16 Cb 0.06 -0.04 -0.07 0.00 -1.58 0.00 0.00 32.23 30.60 1xz5 h LYS 16 CO -0.12 0.66 0.19 0.28 -1.08 0.00 0.00 179.45 179.38 1xz5 h VAL 17 N 0.42 0.77 0.00 0.50 2.07 -0.92 -3.45 116.25 115.64 1xz5 h VAL 17 Ca 0.07 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1xz5 h VAL 17 Cb 0.61 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1xz5 h VAL 17 CO 0.04 0.07 0.00 0.61 0.02 0.00 0.00 177.57 178.31 1xz5 n GLY 18 N -1.29 3.02 0.00 2.17 0.00 -1.02 -1.19 105.19 106.87 1xz5 n GLY 18 Ca 0.07 0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.22 1xz5 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xz5 n ALA 19 N 9.79 2.34 0.93 4.61 0.00 -1.26 -2.89 120.51 134.03 1xz5 n ALA 19 Ca 0.00 -0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.46 1xz5 n ALA 19 Cb 0.00 -1.21 -0.05 0.00 0.00 0.00 0.00 19.45 18.19 1xz5 n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xz5 n HIS 20 N -0.76 0.00 -0.27 0.00 8.25 -0.34 -4.53 115.22 117.57 1xz5 n HIS 20 Ca 0.10 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.62 1xz5 n HIS 20 Cb 0.04 0.00 0.17 0.00 1.12 0.00 0.00 29.99 31.32 1xz5 n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xz5 h ALA 21 N 3.27 0.81 0.18 -1.41 0.00 -1.61 0.82 119.26 121.32 1xz5 h ALA 21 Ca 0.00 0.26 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1xz5 h ALA 21 Cb 0.61 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1xz5 h ALA 21 CO 0.00 -0.44 -0.47 0.78 0.00 0.00 0.00 179.25 179.12 1xz5 h GLY 22 N 0.08 -1.02 1.27 0.00 0.00 -1.85 0.31 103.07 101.86 1xz5 h GLY 22 Ca 0.44 0.57 0.01 0.00 0.00 0.00 0.00 47.33 48.35 1xz5 h GLY 22 CO -0.72 -0.29 0.47 -2.09 0.00 0.00 0.00 176.54 173.92 1xz5 h GLU 23 N -0.75 0.92 -0.26 4.80 4.81 -1.58 -1.12 114.58 121.41 1xz5 h GLU 23 Ca -0.00 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.02 1xz5 h GLU 23 Cb 0.74 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1xz5 h GLU 23 CO -0.23 0.61 -0.47 1.88 -0.73 0.00 0.00 179.01 180.07 1xz5 h TYR 24 N 0.95 0.82 -0.14 0.92 0.99 -0.34 -1.08 116.97 119.08 1xz5 h TYR 24 Ca 0.27 -0.26 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 1xz5 h TYR 24 Cb -0.08 -0.17 -0.01 0.00 1.00 0.00 0.00 36.73 37.48 1xz5 h TYR 24 CO -0.00 1.01 0.09 0.78 -0.00 0.00 0.00 178.16 180.04 1xz5 h GLY 25 N 0.96 0.21 0.96 3.88 0.00 0.41 -0.72 103.07 108.77 1xz5 h GLY 25 Ca 0.03 -0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.29 1xz5 h GLY 25 CO 0.10 0.08 0.33 0.00 0.00 0.00 0.00 176.54 177.04 1xz5 h ALA 26 N 1.02 0.65 -0.70 3.60 0.00 -1.11 -2.13 119.26 120.58 1xz5 h ALA 26 Ca 0.05 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1xz5 h ALA 26 Cb 0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1xz5 h ALA 26 CO -0.01 0.06 0.27 1.49 0.00 0.00 0.00 179.25 181.06 1xz5 h GLU 27 N 0.66 1.06 -0.90 0.00 4.81 -0.90 -1.60 114.58 117.71 1xz5 h GLU 27 Ca 0.19 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1xz5 h GLU 27 Cb -0.04 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.13 1xz5 h GLU 27 CO -0.06 0.88 0.50 0.00 -0.73 0.00 0.00 179.01 179.61 1xz5 h ALA 28 N 1.12 1.15 0.23 2.92 0.00 -0.89 -0.48 119.26 123.31 1xz5 h ALA 28 Ca 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1xz5 h ALA 28 Cb 0.23 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1xz5 h ALA 28 CO -0.02 0.64 -0.11 -0.07 0.00 0.00 0.00 179.25 179.70 1xz5 h LEU 29 N 1.25 -0.26 -0.69 0.00 3.38 -0.86 -1.70 115.31 116.42 1xz5 h LEU 29 Ca 0.32 -0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.29 1xz5 h LEU 29 Cb 0.01 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 1xz5 h LEU 29 CO -0.05 -0.08 0.36 -0.08 0.09 0.00 0.00 178.44 178.68 1xz5 h GLU 30 N -0.42 0.62 -0.78 1.13 4.81 -1.10 -0.14 114.58 118.69 1xz5 h GLU 30 Ca -0.03 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1xz5 h GLU 30 Cb 0.32 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 1xz5 h GLU 30 CO 0.05 0.41 0.39 0.00 -0.73 0.00 0.00 179.01 179.13 1xz5 h ARG 31 N 0.64 1.11 -0.55 1.92 3.08 -0.88 -2.16 114.38 117.54 1xz5 h ARG 31 Ca 0.33 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 60.17 1xz5 h ARG 31 Cb 0.29 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1xz5 h ARG 31 CO -0.23 0.84 0.09 1.98 -1.07 0.00 0.00 179.97 181.58 1xz5 h MET 32 N 1.11 0.91 -0.69 0.04 4.05 -0.27 -0.92 114.93 119.16 1xz5 h MET 32 Ca 0.27 -0.24 -0.03 0.00 -0.28 0.00 0.00 59.70 59.42 1xz5 h MET 32 Cb 0.08 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 30.74 1xz5 h MET 32 CO -0.04 0.88 0.32 0.74 0.23 0.00 0.00 176.91 179.04 1xz5 h PHE 33 N 0.80 1.01 -0.09 1.39 0.04 -0.80 0.12 116.94 119.41 1xz5 h PHE 33 Ca 0.17 -0.06 -0.24 0.00 2.80 0.00 0.00 57.97 60.64 1xz5 h PHE 33 Cb 0.40 -0.31 0.01 0.00 2.20 0.00 0.00 35.95 38.26 1xz5 h PHE 33 CO 0.03 0.76 -0.88 -0.07 -0.60 0.00 0.00 178.31 177.55 1xz5 h LEU 34 N 0.97 0.93 0.04 1.54 3.38 -1.27 -3.19 115.31 117.71 1xz5 h LEU 34 Ca 0.24 -0.67 -0.28 0.00 0.09 0.00 0.00 57.88 57.25 1xz5 h LEU 34 Cb 0.14 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1xz5 h LEU 34 CO -0.03 1.46 -1.51 0.28 0.09 0.00 0.00 178.44 178.73 1xz5 h SER 35 N 0.47 0.14 -2.45 -0.43 0.02 -1.13 -3.41 113.55 106.75 1xz5 h SER 35 Ca -0.08 -0.22 -0.59 0.00 -0.84 0.00 0.00 61.79 60.05 1xz5 h SER 35 Cb 1.52 -0.05 -0.40 0.00 0.14 0.00 0.00 62.40 63.61 1xz5 h SER 35 CO 0.18 1.19 -0.83 0.49 -1.14 0.00 0.00 176.83 176.72 1xz5 n PHE 36 N -3.26 1.11 0.33 3.45 3.01 0.40 -4.98 117.46 117.51 1xz5 n PHE 36 Ca -0.14 -3.78 0.21 0.00 1.01 0.00 0.00 57.45 54.75 1xz5 n PHE 36 Cb 1.02 -0.25 1.12 0.00 -0.01 0.00 0.00 39.48 41.37 1xz5 n PHE 36 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1xz5 h PRO 37 N 4.97 0.00 0.00 -1.08 0.11 -1.68 -1.68 132.00 132.64 1xz5 h PRO 37 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1xz5 h PRO 37 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1xz5 h PRO 37 CO 0.56 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 180.14 1xz5 h THR 38 N 0.00 0.00 0.00 -1.15 1.35 -1.90 -2.33 112.91 108.88 1xz5 h THR 38 Ca 0.00 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1xz5 h THR 38 Cb 0.08 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 1xz5 h THR 38 CO -0.00 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 175.98 1xz5 h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.62 -2.95 112.91 116.51 1xz5 h THR 39 Ca 0.00 -0.40 -0.01 0.00 -0.55 0.00 0.00 66.41 65.45 1xz5 h THR 39 Cb 0.28 1.26 -0.00 0.00 -1.73 0.00 0.00 68.15 67.96 1xz5 h THR 39 CO 0.00 0.00 -0.03 0.11 -0.25 0.00 0.00 175.52 175.35 1xz5 h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.61 -2.99 116.57 118.26 1xz5 h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xz5 h LYS 40 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1xz5 h LYS 40 CO 0.00 0.03 0.00 0.25 -0.57 0.00 0.00 179.45 179.16 1xz5 n THR 41 N -3.14 0.95 1.01 -0.16 -2.24 -1.11 -0.73 114.28 108.86 1xz5 n THR 41 Ca 0.01 0.60 0.12 0.00 -2.27 0.00 0.00 64.05 62.50 1xz5 n THR 41 Cb 0.33 -1.58 0.16 0.00 -2.10 0.00 0.00 70.33 67.14 1xz5 n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1xz5 n TYR 42 N -2.29 0.00 -2.53 4.78 4.01 -1.13 -4.31 117.16 115.69 1xz5 n TYR 42 Ca -0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.52 1xz5 n TYR 42 Cb 0.09 -0.18 0.01 0.00 -0.31 0.00 0.00 39.34 38.95 1xz5 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1xz5 n PHE 43 N -1.45 2.77 0.27 -0.72 3.01 0.10 -4.83 117.46 116.61 1xz5 n PHE 43 Ca 0.05 -3.02 0.13 0.00 1.01 0.00 0.00 57.45 55.63 1xz5 n PHE 43 Cb 0.34 -0.17 0.79 0.00 -0.01 0.00 0.00 39.48 40.43 1xz5 n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1xz5 h PRO 44 N 2.70 0.00 -0.15 -1.08 0.13 -1.75 -2.36 132.00 129.49 1xz5 h PRO 44 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1xz5 h PRO 44 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1xz5 h PRO 44 CO 0.75 0.08 0.00 -2.39 -0.23 0.00 0.00 178.00 176.21 1xz5 n HIS 45 N -3.70 0.19 -4.07 1.56 1.44 -1.26 -4.90 115.22 104.46 1xz5 n HIS 45 Ca -0.02 -0.09 -0.30 0.00 -2.01 0.00 0.00 57.72 55.29 1xz5 n HIS 45 Cb 0.19 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.23 1xz5 n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1xz5 s PHE 46 N -1.81 3.12 -0.45 -1.40 0.40 -0.89 -5.06 117.98 111.89 1xz5 s PHE 46 Ca 0.32 0.04 -0.25 0.00 -0.60 0.00 0.00 56.93 56.44 1xz5 s PHE 46 Cb 0.17 -1.59 0.02 0.00 0.51 0.00 0.00 43.02 42.13 1xz5 s PHE 46 CO 0.26 0.51 0.87 0.34 0.70 0.00 0.00 175.22 177.90 1xz5 s ASP 47 N -2.36 6.49 -0.16 1.36 2.15 -1.26 -4.88 116.67 118.01 1xz5 s ASP 47 Ca 0.28 0.09 0.14 0.00 0.43 0.00 0.00 52.55 53.50 1xz5 s ASP 47 Cb -0.12 -2.43 0.69 0.00 -0.30 0.00 0.00 42.92 40.77 1xz5 s ASP 47 CO 0.21 -0.98 1.58 0.18 -0.17 0.00 0.00 175.17 175.99 1xz5 n LEU 48 N 6.95 4.80 -4.74 -1.34 4.77 -1.26 -4.50 117.00 121.70 1xz5 n LEU 48 Ca 0.05 -2.43 -0.33 0.00 -0.03 0.00 0.00 56.01 53.27 1xz5 n LEU 48 Cb 0.48 -0.61 0.09 0.00 -2.33 0.00 0.00 43.42 41.05 1xz5 n LEU 48 CO 0.61 0.65 0.74 -0.94 -1.33 0.00 0.00 177.39 177.12 1xz5 s SER 49 N -0.76 4.30 -0.02 -1.43 1.04 -1.26 -4.88 113.70 110.69 1xz5 s SER 49 Ca 0.47 2.10 -0.30 0.00 0.48 0.00 0.00 55.95 58.70 1xz5 s SER 49 Cb 0.34 -2.56 -0.08 0.00 0.10 0.00 0.00 66.02 63.81 1xz5 s SER 49 CO 0.18 -2.18 2.03 1.57 0.98 0.00 0.00 173.24 175.81 1xz5 n HIS 50 N -3.09 2.39 -1.50 5.02 -0.00 -1.26 -1.29 115.22 115.48 1xz5 n HIS 50 Ca 0.11 -0.31 0.00 0.00 0.46 0.00 0.00 57.72 57.98 1xz5 n HIS 50 Cb 0.52 -2.78 0.00 0.00 -0.12 0.00 0.00 29.99 27.60 1xz5 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1xz5 n GLY 51 N 4.81 0.58 3.74 1.57 0.00 -1.26 -5.01 105.19 109.63 1xz5 n GLY 51 Ca 0.22 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 1xz5 n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xz5 s SER 52 N -2.85 6.76 0.38 1.61 0.15 -0.41 -4.88 113.70 114.46 1xz5 s SER 52 Ca 0.00 2.57 0.13 0.00 0.70 0.00 0.00 55.95 59.35 1xz5 s SER 52 Cb 0.00 -2.62 0.76 0.00 -1.71 0.00 0.00 66.02 62.45 1xz5 s SER 52 CO 0.00 -0.62 1.85 0.00 1.20 0.00 0.00 173.24 175.67 1xz5 h ALA 53 N 4.98 1.43 -0.20 5.45 0.00 -1.90 -1.53 119.26 127.49 1xz5 h ALA 53 Ca -0.46 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.13 1xz5 h ALA 53 Cb 1.22 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1xz5 h ALA 53 CO 0.76 0.43 0.08 1.96 0.00 0.00 0.00 179.25 182.48 1xz5 h GLN 54 N 0.00 0.30 -0.56 0.00 4.20 -1.90 0.27 115.11 117.42 1xz5 h GLN 54 Ca -0.00 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 1xz5 h GLN 54 Cb 0.61 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 1xz5 h GLN 54 CO 0.04 0.37 0.20 0.28 -0.67 0.00 0.00 178.83 179.05 1xz5 h VAL 55 N 0.16 1.23 -0.48 -0.54 2.07 -1.73 0.17 116.25 117.14 1xz5 h VAL 55 Ca 0.07 -0.75 0.02 0.00 0.82 0.00 0.00 66.70 66.85 1xz5 h VAL 55 Cb 0.18 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1xz5 h VAL 55 CO -0.00 0.28 0.30 0.11 0.02 0.00 0.00 177.57 178.28 1xz5 h LYS 56 N 0.77 0.58 -0.54 1.57 1.79 -1.06 0.45 116.57 120.13 1xz5 h LYS 56 Ca 0.18 -0.03 -0.11 0.00 -2.18 0.00 0.00 60.65 58.51 1xz5 h LYS 56 Cb 0.24 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 1xz5 h LYS 56 CO -0.01 0.38 -0.09 0.78 -1.08 0.00 0.00 179.45 179.44 1xz5 h GLY 57 N 0.60 1.09 1.04 3.86 0.00 -0.19 -2.66 103.07 106.81 1xz5 h GLY 57 Ca 0.19 -0.86 -0.14 0.00 0.00 0.00 0.00 47.33 46.52 1xz5 h GLY 57 CO -0.07 0.79 -0.35 0.84 0.00 0.00 0.00 176.54 177.74 1xz5 h HIS 58 N 0.90 0.96 -0.82 5.60 -0.00 -0.09 -2.81 115.15 118.90 1xz5 h HIS 58 Ca 0.15 -0.30 0.08 0.00 -0.00 0.00 0.00 60.37 60.30 1xz5 h HIS 58 Cb 0.65 -0.20 -0.07 0.00 -0.00 0.00 0.00 27.41 27.79 1xz5 h HIS 58 CO 0.04 1.08 0.48 0.78 -0.00 0.00 0.00 177.93 180.31 1xz5 h GLY 59 N 0.56 1.25 0.97 5.26 0.00 -0.01 -1.29 103.07 109.81 1xz5 h GLY 59 Ca 0.04 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1xz5 h GLY 59 CO 0.09 0.17 0.22 1.70 0.00 0.00 0.00 176.54 178.71 1xz5 h LYS 60 N 0.83 0.76 -0.49 4.80 3.64 -1.41 -0.57 116.57 124.13 1xz5 h LYS 60 Ca 0.38 -0.13 0.03 0.00 -1.27 0.00 0.00 60.65 59.66 1xz5 h LYS 60 Cb 0.29 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1xz5 h LYS 60 CO -0.22 0.66 0.28 0.87 -2.27 0.00 0.00 179.45 178.77 1xz5 h LYS 61 N 0.68 0.55 -0.46 1.90 1.57 -1.00 0.28 116.57 120.09 1xz5 h LYS 61 Ca 0.17 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.84 1xz5 h LYS 61 Cb 0.17 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1xz5 h LYS 61 CO -0.02 0.36 -0.01 0.28 -0.57 0.00 0.00 179.45 179.50 1xz5 h VAL 62 N 0.56 1.26 -0.19 0.50 2.07 -1.15 -1.92 116.25 117.38 1xz5 h VAL 62 Ca 0.20 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1xz5 h VAL 62 Cb 0.03 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1xz5 h VAL 62 CO -0.10 0.37 0.09 0.00 0.02 0.00 0.00 177.57 177.95 1xz5 h ALA 63 N 0.91 0.24 -0.96 1.67 0.00 -0.70 -0.51 119.26 119.91 1xz5 h ALA 63 Ca 0.13 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.06 1xz5 h ALA 63 Cb 0.51 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 1xz5 h ALA 63 CO 0.02 -0.20 0.62 -0.44 0.00 0.00 0.00 179.25 179.25 1xz5 h ASP 64 N 0.18 0.91 -0.43 0.00 5.19 -0.35 0.29 116.42 122.22 1xz5 h ASP 64 Ca 0.07 0.03 -0.14 0.00 -0.62 0.00 0.00 57.03 56.36 1xz5 h ASP 64 Cb 0.11 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 1xz5 h ASP 64 CO -0.01 0.53 -0.28 0.00 -3.12 0.00 0.00 179.24 176.36 1xz5 h ALA 65 N 1.52 0.66 -0.39 3.45 0.00 -0.71 -0.91 119.26 122.89 1xz5 h ALA 65 Ca 0.45 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1xz5 h ALA 65 Cb 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1xz5 h ALA 65 CO -0.21 0.68 -0.04 -0.07 0.00 0.00 0.00 179.25 179.60 1xz5 h LEU 66 N 0.81 0.72 -0.99 0.00 3.38 0.35 -1.42 115.31 118.16 1xz5 h LEU 66 Ca 0.09 -0.34 0.08 0.00 0.09 0.00 0.00 57.88 57.80 1xz5 h LEU 66 Cb 0.86 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.35 1xz5 h LEU 66 CO 0.08 0.88 0.64 0.74 0.09 0.00 0.00 178.44 180.87 1xz5 h THR 67 N 0.54 1.05 -0.16 0.22 2.02 -0.37 -0.60 112.91 115.61 1xz5 h THR 67 Ca 0.11 -0.39 -0.08 0.00 0.77 0.00 0.00 66.41 66.81 1xz5 h THR 67 Cb 0.54 -0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1xz5 h THR 67 CO 0.03 0.21 -0.27 -1.13 0.37 0.00 0.00 175.52 174.72 1xz5 h ASN 68 N 1.13 0.30 0.14 4.18 -1.24 -0.76 -1.74 115.58 117.59 1xz5 h ASN 68 Ca 0.44 -0.10 -0.18 0.00 0.71 0.00 0.00 56.30 57.17 1xz5 h ASN 68 Cb 0.22 -0.08 -0.00 0.00 0.73 0.00 0.00 38.32 39.19 1xz5 h ASN 68 CO -0.19 0.58 -0.69 0.00 -1.29 0.00 0.00 177.43 175.84 1xz5 h ALA 69 N 1.45 0.58 -0.29 1.57 0.00 -0.11 -2.69 119.26 119.77 1xz5 h ALA 69 Ca 0.04 -0.58 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 1xz5 h ALA 69 Cb 0.63 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1xz5 h ALA 69 CO 0.05 0.73 -0.01 0.28 0.00 0.00 0.00 179.25 180.30 1xz5 h VAL 70 N 0.35 1.26 -0.05 0.00 2.07 -0.90 -1.19 116.25 117.79 1xz5 h VAL 70 Ca -0.02 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 66.56 1xz5 h VAL 70 Cb 1.26 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1xz5 h VAL 70 CO 0.12 0.31 0.06 0.00 0.02 0.00 0.00 177.57 178.08 1xz5 h ALA 71 N 0.82 1.65 -0.44 1.67 0.00 -1.30 -2.64 119.26 119.03 1xz5 h ALA 71 Ca 0.08 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.67 1xz5 h ALA 71 Cb 0.45 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 17.93 1xz5 h ALA 71 CO 0.02 -0.09 -0.80 0.72 0.00 0.00 0.00 179.25 179.10 1xz5 n HIS 72 N -3.89 1.55 0.20 0.00 8.25 -1.02 -4.86 115.22 115.45 1xz5 n HIS 72 Ca -0.02 -1.87 0.16 0.00 -0.26 0.00 0.00 57.72 55.74 1xz5 n HIS 72 Cb 0.15 -0.28 0.65 0.00 1.12 0.00 0.00 29.99 31.63 1xz5 n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1xz5 h VAL 73 N 2.83 0.13 -0.59 1.59 3.04 -0.83 0.64 116.25 123.05 1xz5 h VAL 73 Ca 0.14 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.83 1xz5 h VAL 73 Cb 1.39 0.51 0.00 0.00 -2.01 0.00 0.00 31.29 31.17 1xz5 h VAL 73 CO 0.41 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.44 1xz5 n ASP 74 N -3.15 3.31 -2.70 3.17 8.00 -1.26 -4.45 116.55 119.46 1xz5 n ASP 74 Ca 0.04 -1.99 -0.02 0.00 0.71 0.00 0.00 54.79 53.53 1xz5 n ASP 74 Cb 0.66 -0.39 0.11 0.00 -0.02 0.00 0.00 41.12 41.48 1xz5 n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1xz5 n ASP 75 N 1.32 -0.94 -0.20 -2.24 2.03 0.22 -5.00 116.55 111.73 1xz5 n ASP 75 Ca 0.21 -2.21 -0.02 0.00 0.52 0.00 0.00 54.79 53.29 1xz5 n ASP 75 Cb 0.53 0.49 0.08 0.00 -0.72 0.00 0.00 41.12 41.51 1xz5 n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1xz5 h MET 76 N 1.36 0.53 -0.98 -0.67 2.86 -1.65 0.99 114.93 117.37 1xz5 h MET 76 Ca -0.38 -0.03 0.14 0.00 -2.06 0.00 0.00 59.70 57.37 1xz5 h MET 76 Cb 1.29 -0.12 -0.09 0.00 0.06 0.00 0.00 31.60 32.75 1xz5 h MET 76 CO -0.11 0.35 0.61 -1.35 1.06 0.00 0.00 176.91 177.48 1xz5 h PRO 77 N 0.55 0.84 0.06 -0.22 0.11 -1.94 0.37 132.00 131.77 1xz5 h PRO 77 Ca 0.27 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.24 1xz5 h PRO 77 Cb 0.22 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 31.15 1xz5 h PRO 77 CO -0.20 0.55 -0.42 -0.91 -0.21 0.00 0.00 178.00 176.81 1xz5 h ASN 78 N 0.86 0.20 -0.03 -2.05 2.35 -1.83 -2.42 115.58 112.68 1xz5 h ASN 78 Ca 0.50 -0.96 0.01 0.00 -0.55 0.00 0.00 56.30 55.30 1xz5 h ASN 78 Cb 0.65 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.95 1xz5 h ASN 78 CO -0.27 1.20 0.03 0.00 -1.65 0.00 0.00 177.43 176.73 1xz5 h ALA 79 N 0.01 1.63 -0.07 -0.83 0.00 -0.31 -2.83 119.26 116.86 1xz5 h ALA 79 Ca -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1xz5 h ALA 79 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1xz5 h ALA 79 CO 0.06 -0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.55 1xz5 n LEU 80 N -3.93 2.35 -0.33 0.00 4.77 0.13 -4.76 117.00 115.22 1xz5 n LEU 80 Ca -0.02 -1.11 0.03 0.00 -0.03 0.00 0.00 56.01 54.87 1xz5 n LEU 80 Cb 0.11 -0.03 0.09 0.00 -2.33 0.00 0.00 43.42 41.26 1xz5 n LEU 80 CO 0.28 0.45 0.56 -0.24 -1.33 0.00 0.00 177.39 177.11 1xz5 n SER 81 N 0.84 -0.43 -0.12 -1.43 2.88 -0.91 -1.19 113.62 113.26 1xz5 n SER 81 Ca 0.09 1.55 -0.07 0.00 -1.33 0.00 0.00 58.87 59.11 1xz5 n SER 81 Cb 0.38 -0.42 0.01 0.00 -0.75 0.00 0.00 64.21 63.44 1xz5 n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xz5 h ALA 82 N 1.56 0.49 -0.04 -1.46 0.00 -1.85 -0.92 119.26 117.04 1xz5 h ALA 82 Ca 0.38 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.15 1xz5 h ALA 82 Cb 0.60 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1xz5 h ALA 82 CO -0.91 -0.13 -0.61 1.25 0.00 0.00 0.00 179.25 178.85 1xz5 h LEU 83 N 0.44 0.17 -0.47 0.00 5.85 -1.67 -1.27 115.31 118.36 1xz5 h LEU 83 Ca 0.16 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1xz5 h LEU 83 Cb 0.04 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1xz5 h LEU 83 CO -0.09 0.74 0.18 -1.28 -0.34 0.00 0.00 178.44 177.65 1xz5 h SER 84 N 0.11 0.65 -0.14 1.25 0.87 -0.62 -1.91 113.55 113.75 1xz5 h SER 84 Ca -0.01 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.37 1xz5 h SER 84 Cb 1.10 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.89 1xz5 h SER 84 CO 0.09 0.64 0.05 0.44 -0.53 0.00 0.00 176.83 177.52 1xz5 h ASP 85 N 0.61 0.21 -0.42 6.23 3.32 -1.01 -1.87 116.42 123.48 1xz5 h ASP 85 Ca 0.15 -0.19 0.02 0.00 0.02 0.00 0.00 57.03 57.03 1xz5 h ASP 85 Cb 0.20 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 1xz5 h ASP 85 CO -0.01 0.34 0.25 0.25 -1.72 0.00 0.00 179.24 178.36 1xz5 h LEU 86 N 0.06 0.41 -0.66 1.55 5.85 -1.14 -0.66 115.31 120.72 1xz5 h LEU 86 Ca 0.05 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.64 1xz5 h LEU 86 Cb 0.21 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1xz5 h LEU 86 CO -0.00 0.30 -0.32 0.45 -0.34 0.00 0.00 178.44 178.52 1xz5 h HIS 87 N 0.51 0.80 -0.18 1.25 3.86 -1.34 -0.24 115.15 119.82 1xz5 h HIS 87 Ca 0.17 -0.21 -0.22 0.00 -1.16 0.00 0.00 60.37 58.95 1xz5 h HIS 87 Cb -0.00 -0.18 0.01 0.00 1.06 0.00 0.00 27.41 28.30 1xz5 h HIS 87 CO -0.07 0.93 -0.74 0.00 0.86 0.00 0.00 177.93 178.91 1xz5 h ALA 88 N 1.06 0.34 0.00 2.45 0.00 -1.16 0.15 119.26 122.09 1xz5 h ALA 88 Ca 0.06 -0.59 -0.31 0.00 0.00 0.00 0.00 54.91 54.08 1xz5 h ALA 88 Cb 0.84 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 1xz5 h ALA 88 CO 0.07 0.69 -2.30 0.72 0.00 0.00 0.00 179.25 178.42 1xz5 n HIS 89 N -3.95 0.00 0.01 0.00 8.25 -0.27 -4.61 115.22 114.65 1xz5 n HIS 89 Ca -0.07 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.37 1xz5 n HIS 89 Cb 0.73 -0.91 -0.01 0.00 1.12 0.00 0.00 29.99 30.93 1xz5 n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1xz5 n LYS 90 N -2.66 0.10 -0.26 -0.41 4.81 -0.19 -4.82 118.16 114.73 1xz5 n LYS 90 Ca -0.28 0.04 -0.06 0.00 -0.87 0.00 0.00 58.31 57.14 1xz5 n LYS 90 Cb 1.06 -0.56 0.05 0.00 0.02 0.00 0.00 35.03 35.60 1xz5 n LYS 90 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xz5 h ALA 91 N -0.40 0.94 -6.75 3.14 0.00 -1.47 -3.47 119.26 111.25 1xz5 h ALA 91 Ca 0.00 -0.17 -0.55 0.00 0.00 0.00 0.00 54.91 54.19 1xz5 h ALA 91 Cb 0.19 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 1xz5 h ALA 91 CO 0.00 0.54 -0.95 0.54 0.00 0.00 0.00 179.25 179.38 1xz5 n ARG 92 N -4.37 -1.44 -2.49 0.00 1.74 0.52 -4.91 116.66 105.70 1xz5 n ARG 92 Ca 0.06 0.23 -0.41 0.00 -0.77 0.00 0.00 57.85 56.96 1xz5 n ARG 92 Cb 0.16 -3.64 -0.04 0.00 -1.02 0.00 0.00 32.46 27.92 1xz5 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xz5 s VAL 93 N -3.90 3.85 0.29 1.55 1.01 -1.25 -4.99 120.40 116.97 1xz5 s VAL 93 Ca 0.21 1.57 -0.29 0.00 0.00 0.00 0.00 61.98 63.47 1xz5 s VAL 93 Cb -0.10 -4.00 -0.10 0.00 0.00 0.00 0.00 36.38 32.18 1xz5 s VAL 93 CO 0.94 0.26 1.30 -0.62 0.00 0.00 0.00 175.10 176.98 1xz5 s ASP 94 N 0.01 6.83 0.30 3.32 2.15 -1.26 -4.90 116.67 123.12 1xz5 s ASP 94 Ca 0.50 2.60 0.05 0.00 0.43 0.00 0.00 52.55 56.13 1xz5 s ASP 94 Cb -0.30 -2.64 0.79 0.00 -0.30 0.00 0.00 42.92 40.48 1xz5 s ASP 94 CO 0.35 -0.52 1.67 -0.65 -0.17 0.00 0.00 175.17 175.85 1xz5 h PRO 95 N 3.99 0.30 -0.10 4.34 0.11 -2.00 -1.03 132.00 137.61 1xz5 h PRO 95 Ca -0.48 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.64 1xz5 h PRO 95 Cb 1.22 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1xz5 h PRO 95 CO 0.69 0.20 0.13 -0.39 -0.21 0.00 0.00 178.00 178.42 1xz5 h VAL 96 N 0.31 0.40 0.00 3.15 -1.51 -2.03 -1.76 116.25 114.80 1xz5 h VAL 96 Ca 0.59 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 66.02 1xz5 h VAL 96 Cb 1.20 0.89 -0.01 0.00 -2.13 0.00 0.00 31.29 31.24 1xz5 h VAL 96 CO -0.60 0.00 -0.20 0.78 -1.23 0.00 0.00 177.57 176.32 1xz5 h ASN 97 N 0.00 0.00 -0.52 4.19 4.21 -1.55 -3.06 115.58 118.85 1xz5 h ASN 97 Ca 0.05 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.55 1xz5 h ASN 97 Cb 0.31 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.48 1xz5 h ASN 97 CO -0.00 0.20 0.30 -0.26 -1.29 0.00 0.00 177.43 176.38 1xz5 h PHE 98 N 0.00 0.70 0.00 1.19 0.04 -1.49 -2.00 116.94 115.38 1xz5 h PHE 98 Ca -0.00 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 1xz5 h PHE 98 Cb 0.61 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 38.53 1xz5 h PHE 98 CO 0.00 0.50 -0.12 1.57 -0.60 0.00 0.00 178.31 179.66 1xz5 h LYS 99 N 0.69 0.00 0.03 1.51 2.10 -1.67 -0.83 116.57 118.40 1xz5 h LYS 99 Ca 0.18 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.58 1xz5 h LYS 99 Cb 0.02 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.36 1xz5 h LYS 99 CO -0.03 0.12 -1.04 -0.07 -2.00 0.00 0.00 179.45 176.42 1xz5 h LEU 100 N 0.00 0.66 -0.02 7.07 3.38 -1.44 -2.35 115.31 122.61 1xz5 h LEU 100 Ca -0.00 -0.56 -0.01 0.00 0.09 0.00 0.00 57.88 57.40 1xz5 h LEU 100 Cb 0.39 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1xz5 h LEU 100 CO 0.02 1.37 -0.02 0.25 0.09 0.00 0.00 178.44 180.14 1xz5 h LEU 101 N 0.26 0.05 -0.52 1.67 5.85 -1.07 -2.19 115.31 119.36 1xz5 h LEU 101 Ca -0.11 -0.54 0.10 0.00 0.84 0.00 0.00 57.88 58.16 1xz5 h LEU 101 Cb 1.70 -0.01 -0.11 0.00 0.37 0.00 0.00 40.66 42.61 1xz5 h LEU 101 CO 0.19 0.58 -0.30 0.28 -0.34 0.00 0.00 178.44 178.84 1xz5 h SER 102 N -0.48 -1.04 -0.30 1.25 0.02 -1.24 0.24 113.55 112.00 1xz5 h SER 102 Ca 0.00 0.21 0.05 0.00 -0.84 0.00 0.00 61.79 61.21 1xz5 h SER 102 Cb 0.57 0.52 -0.05 0.00 0.14 0.00 0.00 62.40 63.58 1xz5 h SER 102 CO 0.01 -0.30 -0.00 -0.74 -1.14 0.00 0.00 176.83 174.66 1xz5 h HIS 103 N -0.17 -0.02 0.00 3.45 -0.00 -1.41 -0.33 115.15 116.67 1xz5 h HIS 103 Ca 0.22 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.58 1xz5 h HIS 103 Cb 0.53 0.06 -0.00 0.00 -0.00 0.00 0.00 27.41 27.99 1xz5 h HIS 103 CO -0.58 -0.06 -0.14 0.00 -0.00 0.00 0.00 177.93 177.15 1xz5 h LEU 105 N 0.00 0.92 -0.53 0.00 5.85 0.39 -2.54 115.31 119.40 1xz5 h LEU 105 Ca -0.00 -0.56 -0.05 0.00 0.84 0.00 0.00 57.88 58.11 1xz5 h LEU 105 Cb 0.48 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1xz5 h LEU 105 CO 0.02 1.35 0.12 -0.07 -0.34 0.00 0.00 178.44 179.52 1xz5 h LEU 106 N 0.57 0.81 0.00 2.25 3.38 -0.47 -2.20 115.31 119.66 1xz5 h LEU 106 Ca -0.03 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1xz5 h LEU 106 Cb 1.30 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1xz5 h LEU 106 CO 0.14 0.84 -0.00 0.58 0.09 0.00 0.00 178.44 180.09 1xz5 h VAL 107 N 0.75 1.03 -0.37 1.22 2.07 -1.36 -1.04 116.25 118.55 1xz5 h VAL 107 Ca 0.17 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.61 1xz5 h VAL 107 Cb 0.35 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1xz5 h VAL 107 CO 0.00 0.03 0.15 0.74 0.02 0.00 0.00 177.57 178.51 1xz5 h THR 108 N -0.05 0.93 -0.33 2.57 2.02 -1.38 -0.34 112.91 116.32 1xz5 h THR 108 Ca -0.00 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1xz5 h THR 108 Cb 0.05 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1xz5 h THR 108 CO 0.00 0.06 0.16 -0.07 0.37 0.00 0.00 175.52 176.04 1xz5 h LEU 109 N 0.32 0.44 -0.73 2.58 3.38 -1.30 -1.82 115.31 118.19 1xz5 h LEU 109 Ca 0.16 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.08 1xz5 h LEU 109 Cb 0.11 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 1xz5 h LEU 109 CO -0.14 0.45 0.40 0.00 0.09 0.00 0.00 178.44 179.23 1xz5 h ALA 110 N 1.01 1.00 0.00 1.53 0.00 -0.86 0.43 119.26 122.37 1xz5 h ALA 110 Ca 0.11 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1xz5 h ALA 110 Cb 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1xz5 h ALA 110 CO -0.01 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1xz5 h ALA 111 N 1.40 1.00 0.00 0.00 0.00 -0.72 -3.30 119.26 117.64 1xz5 h ALA 111 Ca 0.34 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 1xz5 h ALA 111 Cb 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1xz5 h ALA 111 CO -0.22 0.00 -1.39 0.72 0.00 0.00 0.00 179.25 178.36 1xz5 n HIS 112 N -2.32 0.00 -3.04 0.00 -0.00 -0.27 -4.80 115.22 104.79 1xz5 n HIS 112 Ca 0.03 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.49 1xz5 n HIS 112 Cb 0.29 -0.23 -0.05 0.00 -0.00 0.00 0.00 29.99 30.00 1xz5 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1xz5 n LEU 113 N -1.94 3.93 -0.32 2.41 4.77 0.14 -4.94 117.00 121.03 1xz5 n LEU 113 Ca -0.05 -5.56 0.06 0.00 -0.03 0.00 0.00 56.01 50.42 1xz5 n LEU 113 Cb 0.39 -0.42 0.21 0.00 -2.33 0.00 0.00 43.42 41.27 1xz5 n LEU 113 CO 0.15 2.30 1.18 1.55 -1.33 0.00 0.00 177.39 181.24 1xz5 h PRO 114 N 3.18 0.83 -0.07 3.23 0.13 -1.80 0.86 132.00 138.36 1xz5 h PRO 114 Ca 0.14 -0.05 -0.18 0.00 -0.87 0.00 0.00 66.00 65.03 1xz5 h PRO 114 Cb 0.58 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.52 1xz5 h PRO 114 CO 0.78 0.55 -0.73 0.00 -0.23 0.00 0.00 178.00 178.37 1xz5 h ALA 115 N 1.51 0.61 0.00 -0.56 0.00 -1.93 -3.27 119.26 115.62 1xz5 h ALA 115 Ca 0.46 -0.61 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1xz5 h ALA 115 Cb 0.48 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1xz5 h ALA 115 CO -0.28 0.77 -1.07 1.05 0.00 0.00 0.00 179.25 179.72 1xz5 h GLU 116 N 0.25 0.00 -3.38 0.00 9.09 -1.87 -3.40 114.58 115.28 1xz5 h GLU 116 Ca -0.03 0.00 -0.50 0.00 0.05 0.00 0.00 59.36 58.88 1xz5 h GLU 116 Cb 1.31 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.43 1xz5 h GLU 116 CO 0.12 0.15 3.02 0.34 0.05 0.00 0.00 179.01 182.69 1xz5 n PHE 117 N -2.82 1.81 -2.08 2.06 7.35 0.25 -4.68 117.46 119.35 1xz5 n PHE 117 Ca -0.03 -2.36 -0.29 0.00 -0.76 0.00 0.00 57.45 54.01 1xz5 n PHE 117 Cb 0.68 -1.97 0.04 0.00 0.35 0.00 0.00 39.48 38.58 1xz5 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1xz5 s THR 118 N 3.09 3.50 0.24 -2.13 -4.23 -1.26 -4.81 115.64 110.04 1xz5 s THR 118 Ca 0.51 0.28 -0.05 0.00 -1.18 0.00 0.00 61.69 61.24 1xz5 s THR 118 Cb 0.13 -3.45 0.21 0.00 1.34 0.00 0.00 72.50 70.73 1xz5 s THR 118 CO -0.04 -0.54 1.72 -0.65 -0.54 0.00 0.00 174.62 174.56 1xz5 h PRO 119 N -0.48 0.36 -0.48 3.99 0.11 -1.99 0.26 132.00 133.77 1xz5 h PRO 119 Ca -0.45 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 1xz5 h PRO 119 Cb 1.26 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1xz5 h PRO 119 CO 0.63 0.24 -0.01 0.00 -0.21 0.00 0.00 178.00 178.65 1xz5 h ALA 120 N 1.55 0.64 -0.44 -0.75 0.00 -1.95 -2.21 119.26 116.10 1xz5 h ALA 120 Ca 0.39 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1xz5 h ALA 120 Cb 0.61 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1xz5 h ALA 120 CO -0.42 0.45 -0.21 0.28 0.00 0.00 0.00 179.25 179.34 1xz5 h VAL 121 N 0.70 1.27 -0.10 0.00 2.07 -1.52 -2.29 116.25 116.38 1xz5 h VAL 121 Ca 0.13 -1.37 0.04 0.00 0.82 0.00 0.00 66.70 66.33 1xz5 h VAL 121 Cb 0.52 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 1xz5 h VAL 121 CO 0.03 0.47 -0.20 -0.74 0.02 0.00 0.00 177.57 177.15 1xz5 h HIS 122 N 0.76 -0.51 -0.18 1.57 6.17 -0.44 0.08 115.15 122.60 1xz5 h HIS 122 Ca 0.10 0.02 0.02 0.00 0.71 0.00 0.00 60.37 61.22 1xz5 h HIS 122 Cb 0.79 0.24 -0.02 0.00 2.52 0.00 0.00 27.41 30.94 1xz5 h HIS 122 CO 0.06 -0.27 0.06 0.00 0.71 0.00 0.00 177.93 178.49 1xz5 h ALA 123 N 0.72 0.20 -0.61 5.26 0.00 -1.36 -0.83 119.26 122.65 1xz5 h ALA 123 Ca 0.09 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1xz5 h ALA 123 Cb 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1xz5 h ALA 123 CO -0.25 -0.37 0.33 0.77 0.00 0.00 0.00 179.25 179.73 1xz5 h SER 124 N 0.15 0.76 -0.30 0.00 0.02 -1.12 -1.07 113.55 111.99 1xz5 h SER 124 Ca 0.08 -0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 60.84 1xz5 h SER 124 Cb 0.05 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 1xz5 h SER 124 CO -0.08 0.64 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.03 1xz5 h LEU 125 N 0.82 0.73 0.00 5.07 3.38 -0.84 -1.08 115.31 123.40 1xz5 h LEU 125 Ca 0.21 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1xz5 h LEU 125 Cb 0.05 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1xz5 h LEU 125 CO -0.03 0.89 -0.00 -0.78 0.09 0.00 0.00 178.44 178.61 1xz5 h ASP 126 N 0.67 -0.00 -0.74 -0.43 3.58 -0.87 -0.50 116.42 118.13 1xz5 h ASP 126 Ca 0.11 -0.39 0.03 0.00 0.42 0.00 0.00 57.03 57.20 1xz5 h ASP 126 Cb 0.62 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.63 1xz5 h ASP 126 CO 0.04 0.39 0.49 0.11 -2.88 0.00 0.00 179.24 177.38 1xz5 h LYS 127 N -0.40 0.87 0.21 0.28 1.57 -1.13 -1.44 116.57 116.53 1xz5 h LYS 127 Ca -0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1xz5 h LYS 127 Cb 0.39 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1xz5 h LYS 127 CO 0.00 0.57 -0.10 0.35 -0.57 0.00 0.00 179.45 179.71 1xz5 h PHE 128 N 0.89 -0.26 -0.21 -1.35 3.57 -0.94 -2.00 116.94 116.65 1xz5 h PHE 128 Ca 0.29 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 1xz5 h PHE 128 Cb 0.06 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1xz5 h PHE 128 CO -0.00 0.01 0.07 -0.07 -2.23 0.00 0.00 178.31 176.09 1xz5 h LEU 129 N -0.50 0.25 -0.66 0.59 3.38 -0.86 -1.21 115.31 116.30 1xz5 h LEU 129 Ca -0.03 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1xz5 h LEU 129 Cb 0.38 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1xz5 h LEU 129 CO 0.05 0.24 -0.02 0.00 0.09 0.00 0.00 178.44 178.81 1xz5 h ALA 130 N 1.80 0.87 -0.20 1.53 0.00 -1.07 -1.66 119.26 120.53 1xz5 h ALA 130 Ca 0.07 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1xz5 h ALA 130 Cb 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1xz5 h ALA 130 CO -0.01 0.66 -0.03 0.77 0.00 0.00 0.00 179.25 180.64 1xz5 h SER 131 N 0.93 0.37 -0.38 0.00 0.02 -0.61 -1.23 113.55 112.64 1xz5 h SER 131 Ca 0.16 -0.35 0.02 0.00 -0.84 0.00 0.00 61.79 60.78 1xz5 h SER 131 Cb 0.56 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 1xz5 h SER 131 CO 0.03 0.63 0.22 0.58 -1.14 0.00 0.00 176.83 177.16 1xz5 h VAL 132 N 0.10 1.03 -0.95 2.27 2.07 -1.17 -1.74 116.25 117.87 1xz5 h VAL 132 Ca 0.05 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.44 1xz5 h VAL 132 Cb 0.47 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 1xz5 h VAL 132 CO 0.02 0.08 0.62 0.28 0.02 0.00 0.00 177.57 178.59 1xz5 h SER 133 N 0.44 1.06 -0.60 0.57 0.02 -1.20 -1.48 113.55 112.36 1xz5 h SER 133 Ca 0.15 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 1xz5 h SER 133 Cb 0.02 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.28 1xz5 h SER 133 CO -0.08 0.75 0.13 0.74 -1.14 0.00 0.00 176.83 177.23 1xz5 h THR 134 N 1.24 1.25 0.20 -2.27 2.02 -0.81 -2.66 112.91 111.88 1xz5 h THR 134 Ca 0.36 -0.94 -0.01 0.00 0.77 0.00 0.00 66.41 66.59 1xz5 h THR 134 Cb -0.08 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1xz5 h THR 134 CO -0.10 0.35 -0.10 0.58 0.37 0.00 0.00 175.52 176.63 1xz5 h VAL 135 N 0.95 0.88 0.00 3.16 2.07 -0.74 -1.71 116.25 120.87 1xz5 h VAL 135 Ca 0.20 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1xz5 h VAL 135 Cb 0.37 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1xz5 h VAL 135 CO 0.00 0.16 0.10 -0.07 0.02 0.00 0.00 177.57 177.78 1xz5 h LEU 136 N -0.65 0.00 -1.35 2.57 3.38 -1.23 -1.71 115.31 116.33 1xz5 h LEU 136 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1xz5 h LEU 136 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1xz5 h LEU 136 CO 0.05 0.00 -0.03 0.41 0.09 0.00 0.00 178.44 178.95 1xz5 n THR 137 N -2.98 0.00 0.24 0.22 -1.04 -1.01 -4.44 114.28 105.27 1xz5 n THR 137 Ca -0.03 -0.48 0.09 0.00 -2.04 0.00 0.00 64.05 61.59 1xz5 n THR 137 Cb 0.16 1.22 0.60 0.00 -1.82 0.00 0.00 70.33 70.50 1xz5 n THR 137 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1xz5 h SER 138 N 2.10 0.00 -0.49 8.00 4.64 -0.34 -3.10 113.55 124.36 1xz5 h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xz5 h SER 138 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1xz5 h SER 138 CO 0.00 0.17 0.00 0.29 -0.87 0.00 0.00 176.83 176.42 1xz5 n LYS 139 N -3.92 3.77 -0.07 4.77 5.02 -1.26 -4.66 118.16 121.81 1xz5 n LYS 139 Ca -0.02 -2.88 -0.01 0.00 -2.02 0.00 0.00 58.31 53.38 1xz5 n LYS 139 Cb 0.26 -1.93 0.25 0.00 -0.02 0.00 0.00 35.03 33.59 1xz5 n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1xz5 h TYR 140 N 3.20 0.71 0.00 2.13 0.99 -1.86 -3.46 116.97 118.67 1xz5 h TYR 140 Ca 0.00 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.67 1xz5 h TYR 140 Cb 1.54 -0.21 0.00 0.00 1.00 0.00 0.00 36.73 39.06 1xz5 h TYR 140 CO 0.73 0.62 0.00 2.89 -0.00 0.00 0.00 178.16 182.40