#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xz4 s LEU 2 N 0.00 4.55 0.57 3.17 1.43 -1.26 -5.07 118.68 122.07 1xz4 s LEU 2 Ca 0.00 1.89 0.01 0.00 -1.03 0.00 0.00 54.13 55.00 1xz4 s LEU 2 Cb 0.00 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.66 1xz4 s LEU 2 CO 0.00 -0.00 0.80 -0.94 0.23 0.00 0.00 176.35 176.43 1xz4 s SER 3 N -0.46 5.20 0.25 2.29 1.04 -1.26 -4.91 113.70 115.85 1xz4 s SER 3 Ca 0.45 -0.03 -0.05 0.00 0.48 0.00 0.00 55.95 56.80 1xz4 s SER 3 Cb -0.25 -0.81 0.31 0.00 0.10 0.00 0.00 66.02 65.37 1xz4 s SER 3 CO 0.31 -1.21 1.91 -0.65 0.98 0.00 0.00 173.24 174.59 1xz4 h PRO 4 N 0.01 1.23 -0.55 4.02 0.11 -1.99 -0.32 132.00 134.51 1xz4 h PRO 4 Ca -0.42 -0.07 0.04 0.00 0.11 0.00 0.00 66.00 65.66 1xz4 h PRO 4 Cb 1.30 -0.28 -0.04 0.00 0.11 0.00 0.00 31.00 32.09 1xz4 h PRO 4 CO 0.51 0.81 0.30 0.00 -0.21 0.00 0.00 178.00 179.42 1xz4 h ALA 5 N 1.40 0.71 -0.36 -0.75 0.00 -1.99 0.21 119.26 118.49 1xz4 h ALA 5 Ca 0.39 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.34 1xz4 h ALA 5 Cb -0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1xz4 h ALA 5 CO -0.12 -0.01 0.16 -0.44 0.00 0.00 0.00 179.25 178.84 1xz4 h ASP 6 N 0.59 0.21 -0.53 0.00 3.32 -1.61 0.95 116.42 119.36 1xz4 h ASP 6 Ca 0.23 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 1xz4 h ASP 6 Cb 0.10 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 1xz4 h ASP 6 CO -0.14 0.16 0.30 0.11 -1.72 0.00 0.00 179.24 177.96 1xz4 h LYS 7 N 0.33 0.73 -0.05 3.56 1.57 -0.13 0.08 116.57 122.65 1xz4 h LYS 7 Ca 0.15 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1xz4 h LYS 7 Cb 0.09 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 1xz4 h LYS 7 CO -0.13 0.55 -0.18 1.15 -0.57 0.00 0.00 179.45 180.28 1xz4 h THR 8 N 0.70 0.56 -0.89 -0.16 2.02 0.05 -1.51 112.91 113.68 1xz4 h THR 8 Ca 0.19 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.46 1xz4 h THR 8 Cb 0.03 0.56 -0.07 0.00 -1.74 0.00 0.00 68.15 66.92 1xz4 h THR 8 CO -0.03 0.00 0.54 0.78 0.37 0.00 0.00 175.52 177.18 1xz4 h ASN 9 N -0.26 0.80 -0.14 4.18 2.35 -0.30 -2.10 115.58 120.11 1xz4 h ASN 9 Ca 0.07 0.04 -0.14 0.00 -0.55 0.00 0.00 56.30 55.72 1xz4 h ASN 9 Cb 0.36 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1xz4 h ASN 9 CO -0.21 0.47 -0.41 0.58 -1.65 0.00 0.00 177.43 176.21 1xz4 h VAL 10 N 0.91 1.29 -0.03 2.81 2.07 -0.50 -2.15 116.25 120.66 1xz4 h VAL 10 Ca 0.42 -1.58 -0.07 0.00 0.82 0.00 0.00 66.70 66.29 1xz4 h VAL 10 Cb 0.34 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1xz4 h VAL 10 CO -0.23 0.51 -0.32 0.11 0.02 0.00 0.00 177.57 177.65 1xz4 h LYS 11 N 0.56 0.05 0.02 1.57 1.57 -0.63 -0.66 116.57 119.04 1xz4 h LYS 11 Ca 0.04 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1xz4 h LYS 11 Cb 0.94 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1xz4 h LYS 11 CO 0.09 0.37 -0.01 0.00 -0.57 0.00 0.00 179.45 179.33 1xz4 h ALA 12 N 1.63 -0.03 -0.22 3.86 0.00 -1.34 -2.42 119.26 120.74 1xz4 h ALA 12 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1xz4 h ALA 12 Cb 0.60 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1xz4 h ALA 12 CO 0.04 -0.08 0.15 0.00 0.00 0.00 0.00 179.25 179.37 1xz4 h ALA 13 N -0.06 0.28 0.00 0.00 0.00 -1.38 -1.99 119.26 116.10 1xz4 h ALA 13 Ca -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1xz4 h ALA 13 Cb 0.76 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1xz4 h ALA 13 CO 0.00 -0.24 -0.16 2.35 0.00 0.00 0.00 179.25 181.21 1xz4 h TRP 14 N 0.30 0.00 -0.20 0.00 2.91 -1.21 -2.77 115.95 114.97 1xz4 h TRP 14 Ca 0.08 0.00 -0.12 0.00 1.13 0.00 0.00 58.89 59.98 1xz4 h TRP 14 Cb -0.03 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.62 1xz4 h TRP 14 CO -0.06 0.16 -0.35 0.78 -1.03 0.00 0.00 178.44 177.94 1xz4 h GLY 15 N 1.31 0.65 2.00 2.65 0.00 -1.09 -2.82 103.07 105.78 1xz4 h GLY 15 Ca -0.00 -0.75 -0.01 0.00 0.00 0.00 0.00 47.33 46.57 1xz4 h GLY 15 CO 0.02 0.67 -0.06 0.50 0.00 0.00 0.00 176.54 177.68 1xz4 h LYS 16 N 0.28 0.00 0.13 4.80 1.79 -1.09 -2.56 116.57 119.91 1xz4 h LYS 16 Ca 0.01 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 1xz4 h LYS 16 Cb 0.94 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 1xz4 h LYS 16 CO 0.08 0.06 -0.06 0.28 -1.08 0.00 0.00 179.45 178.72 1xz4 h VAL 17 N 0.00 1.05 0.00 0.50 2.07 -1.34 -3.46 116.25 115.06 1xz4 h VAL 17 Ca -0.00 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1xz4 h VAL 17 Cb 0.25 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1xz4 h VAL 17 CO 0.01 0.19 0.00 0.61 0.02 0.00 0.00 177.57 178.40 1xz4 n GLY 18 N -0.09 1.92 0.00 2.17 0.00 -0.97 -1.73 105.19 106.50 1xz4 n GLY 18 Ca -0.09 0.44 0.14 0.00 0.00 0.00 0.00 46.02 46.52 1xz4 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xz4 n ALA 19 N 9.61 2.38 1.00 4.61 0.00 -1.26 -2.81 120.51 134.03 1xz4 n ALA 19 Ca 0.00 -0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.45 1xz4 n ALA 19 Cb 0.00 -1.46 0.29 0.00 0.00 0.00 0.00 19.45 18.28 1xz4 n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xz4 n HIS 20 N -1.49 0.01 -0.28 0.00 8.25 -0.70 -4.46 115.22 116.54 1xz4 n HIS 20 Ca 0.07 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.60 1xz4 n HIS 20 Cb 0.34 -0.28 0.14 0.00 1.12 0.00 0.00 29.99 31.31 1xz4 n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xz4 n ALA 21 N -1.50 0.25 -0.15 -1.41 0.00 -1.12 -0.22 120.51 116.35 1xz4 n ALA 21 Ca 0.06 0.87 -0.11 0.00 0.00 0.00 0.00 53.44 54.25 1xz4 n ALA 21 Cb 0.34 -0.55 -0.01 0.00 0.00 0.00 0.00 19.45 19.23 1xz4 n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1xz4 h GLY 22 N 0.00 0.95 0.91 0.00 0.00 -1.85 -1.80 103.07 101.29 1xz4 h GLY 22 Ca 0.41 -0.83 0.02 0.00 0.00 0.00 0.00 47.33 46.93 1xz4 h GLY 22 CO -0.80 0.75 0.41 -2.09 0.00 0.00 0.00 176.54 174.81 1xz4 h GLU 23 N 0.71 0.80 -0.45 4.80 4.81 -0.89 -1.51 114.58 122.84 1xz4 h GLU 23 Ca 0.10 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.19 1xz4 h GLU 23 Cb 0.72 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 1xz4 h GLU 23 CO 0.05 0.53 -0.11 1.88 -0.73 0.00 0.00 179.01 180.63 1xz4 h TYR 24 N 0.82 0.88 -0.57 0.92 0.99 -1.01 -1.62 116.97 117.39 1xz4 h TYR 24 Ca 0.25 -0.16 0.01 0.00 2.00 0.00 0.00 58.73 60.83 1xz4 h TYR 24 Cb -0.02 -0.23 -0.03 0.00 1.00 0.00 0.00 36.73 37.46 1xz4 h TYR 24 CO -0.04 0.87 0.37 0.78 -0.00 0.00 0.00 178.16 180.14 1xz4 h GLY 25 N 0.97 0.80 1.09 3.88 0.00 -1.01 -0.21 103.07 108.59 1xz4 h GLY 25 Ca 0.12 -0.29 -0.09 0.00 0.00 0.00 0.00 47.33 47.07 1xz4 h GLY 25 CO 0.04 0.28 0.04 0.00 0.00 0.00 0.00 176.54 176.89 1xz4 h ALA 26 N 1.22 0.86 -0.21 3.60 0.00 -1.01 -2.26 119.26 121.46 1xz4 h ALA 26 Ca 0.21 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 1xz4 h ALA 26 Cb -0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1xz4 h ALA 26 CO -0.06 0.67 -0.48 1.49 0.00 0.00 0.00 179.25 180.88 1xz4 h GLU 27 N 1.01 0.55 -0.62 0.00 4.81 -0.75 -2.28 114.58 117.30 1xz4 h GLU 27 Ca 0.18 -0.32 0.05 0.00 -0.13 0.00 0.00 59.36 59.15 1xz4 h GLU 27 Cb 0.52 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.88 1xz4 h GLU 27 CO 0.03 0.91 0.35 0.00 -0.73 0.00 0.00 179.01 179.57 1xz4 h ALA 28 N 1.03 0.82 -0.43 2.92 0.00 -0.98 -0.60 119.26 122.03 1xz4 h ALA 28 Ca 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1xz4 h ALA 28 Cb 1.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1xz4 h ALA 28 CO 0.09 0.04 0.22 -0.07 0.00 0.00 0.00 179.25 179.53 1xz4 h LEU 29 N 0.66 0.56 -0.72 0.00 3.38 -1.09 -0.46 115.31 117.64 1xz4 h LEU 29 Ca 0.27 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 1xz4 h LEU 29 Cb 0.14 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1xz4 h LEU 29 CO -0.16 0.51 0.06 -0.08 0.09 0.00 0.00 178.44 178.86 1xz4 h GLU 30 N 0.56 1.03 -0.94 1.13 4.81 -1.15 -1.40 114.58 118.63 1xz4 h GLU 30 Ca 0.15 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1xz4 h GLU 30 Cb 0.09 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.31 1xz4 h GLU 30 CO -0.02 0.98 0.59 0.00 -0.73 0.00 0.00 179.01 179.83 1xz4 h ARG 31 N 0.96 1.26 -0.04 1.92 3.08 -0.89 -2.52 114.38 118.15 1xz4 h ARG 31 Ca 0.18 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 1xz4 h ARG 31 Cb 0.48 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1xz4 h ARG 31 CO 0.02 0.86 0.01 1.98 -1.07 0.00 0.00 179.97 181.77 1xz4 h MET 32 N 1.29 0.06 -0.43 0.04 4.05 -0.49 -0.68 114.93 118.78 1xz4 h MET 32 Ca 0.34 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.72 1xz4 h MET 32 Cb -0.10 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.67 1xz4 h MET 32 CO -0.07 0.30 0.18 0.74 0.23 0.00 0.00 176.91 178.29 1xz4 h PHE 33 N -0.18 0.59 0.20 1.39 0.04 -1.27 0.58 116.94 118.29 1xz4 h PHE 33 Ca 0.01 -0.02 -0.31 0.00 2.80 0.00 0.00 57.97 60.45 1xz4 h PHE 33 Cb 0.26 -0.19 0.03 0.00 2.20 0.00 0.00 35.95 38.25 1xz4 h PHE 33 CO 0.01 0.46 -1.37 -0.07 -0.60 0.00 0.00 178.31 176.74 1xz4 h LEU 34 N 0.60 0.70 0.02 1.54 3.38 -1.41 -3.28 115.31 116.86 1xz4 h LEU 34 Ca 0.15 -0.74 -0.27 0.00 0.09 0.00 0.00 57.88 57.11 1xz4 h LEU 34 Cb 0.10 -0.23 0.02 0.00 0.09 0.00 0.00 40.66 40.65 1xz4 h LEU 34 CO -0.02 1.57 -1.13 0.28 0.09 0.00 0.00 178.44 179.23 1xz4 h SER 35 N 0.14 0.74 -2.67 -0.43 0.02 -0.73 -3.40 113.55 107.21 1xz4 h SER 35 Ca -0.21 -0.66 -0.60 0.00 -0.84 0.00 0.00 61.79 59.48 1xz4 h SER 35 Cb 2.07 -0.23 -0.40 0.00 0.14 0.00 0.00 62.40 63.98 1xz4 h SER 35 CO 0.25 1.47 -0.78 0.49 -1.14 0.00 0.00 176.83 177.12 1xz4 n PHE 36 N -3.76 1.25 0.25 3.45 3.01 0.20 -4.99 117.46 116.86 1xz4 n PHE 36 Ca -0.11 -3.82 0.18 0.00 1.01 0.00 0.00 57.45 54.71 1xz4 n PHE 36 Cb 0.93 -0.21 0.90 0.00 -0.01 0.00 0.00 39.48 41.09 1xz4 n PHE 36 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1xz4 h PRO 37 N 5.38 0.00 0.00 -1.08 0.11 -1.73 -0.86 132.00 133.81 1xz4 h PRO 37 Ca 0.20 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.30 1xz4 h PRO 37 Cb 0.82 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 1xz4 h PRO 37 CO 0.56 0.00 -0.07 1.79 -0.21 0.00 0.00 178.00 180.07 1xz4 h THR 38 N 0.00 0.28 0.00 -1.15 1.35 -1.92 -2.18 112.91 109.29 1xz4 h THR 38 Ca 0.06 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1xz4 h THR 38 Cb 0.43 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1xz4 h THR 38 CO -0.00 0.07 0.00 0.71 -0.25 0.00 0.00 175.52 176.05 1xz4 h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.48 -2.43 112.91 117.16 1xz4 h THR 39 Ca -0.00 -0.20 -0.01 0.00 -0.55 0.00 0.00 66.41 65.64 1xz4 h THR 39 Cb 0.36 0.92 -0.00 0.00 -1.73 0.00 0.00 68.15 67.70 1xz4 h THR 39 CO 0.01 0.00 -0.07 0.11 -0.25 0.00 0.00 175.52 175.32 1xz4 h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.58 -2.75 116.57 118.53 1xz4 h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xz4 h LYS 40 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1xz4 h LYS 40 CO 0.00 0.07 0.00 1.79 -0.57 0.00 0.00 179.45 180.74 1xz4 h THR 41 N 0.00 0.00 -0.01 -0.16 1.35 -1.63 -0.34 112.91 112.12 1xz4 h THR 41 Ca -0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1xz4 h THR 41 Cb 0.43 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1xz4 h THR 41 CO 0.01 0.00 -0.21 0.00 -0.25 0.00 0.00 175.52 175.07 1xz4 n ALA 42 N -1.87 2.97 -2.95 6.62 0.00 -1.04 -4.28 120.51 119.96 1xz4 n ALA 42 Ca -0.00 -0.39 -0.21 0.00 0.00 0.00 0.00 53.44 52.84 1xz4 n ALA 42 Cb 0.14 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 1xz4 n ALA 42 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xz4 n PHE 43 N -0.60 1.93 0.52 0.00 3.01 -0.14 -4.92 117.46 117.26 1xz4 n PHE 43 Ca 0.13 -3.65 0.09 0.00 1.01 0.00 0.00 57.45 55.04 1xz4 n PHE 43 Cb 0.34 -0.40 0.40 0.00 -0.01 0.00 0.00 39.48 39.81 1xz4 n PHE 43 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1xz4 n PRO 44 N -0.02 0.07 0.00 -1.08 -0.04 -1.25 -1.95 135.00 130.73 1xz4 n PRO 44 Ca 0.26 0.28 0.11 0.00 -0.04 0.00 0.00 63.50 64.11 1xz4 n PRO 44 Cb 0.60 -1.63 0.08 0.00 -0.04 0.00 0.00 33.50 32.51 1xz4 n PRO 44 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1xz4 n HIS 45 N -1.76 0.00 -3.19 0.54 1.44 -1.26 -4.96 115.22 106.03 1xz4 n HIS 45 Ca 0.04 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.41 1xz4 n HIS 45 Cb 0.22 -0.12 -0.06 0.00 0.12 0.00 0.00 29.99 30.15 1xz4 n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1xz4 s PHE 46 N -2.95 3.47 -0.15 -1.40 2.99 -0.82 -5.02 117.98 114.09 1xz4 s PHE 46 Ca 0.11 1.19 -0.29 0.00 0.00 0.00 0.00 56.93 57.94 1xz4 s PHE 46 Cb 0.17 -2.50 -0.01 0.00 0.00 0.00 0.00 43.02 40.68 1xz4 s PHE 46 CO 0.76 0.21 0.99 0.34 -0.00 0.00 0.00 175.22 177.52 1xz4 s ASP 47 N -2.08 7.16 0.00 1.36 2.15 -1.26 -4.92 116.67 119.08 1xz4 s ASP 47 Ca 0.49 1.43 0.13 0.00 0.43 0.00 0.00 52.55 55.04 1xz4 s ASP 47 Cb -0.12 -2.54 0.35 0.00 -0.30 0.00 0.00 42.92 40.31 1xz4 s ASP 47 CO 0.19 -0.50 1.28 0.18 -0.17 0.00 0.00 175.17 176.14 1xz4 n LEU 48 N 5.41 3.05 -4.71 -1.34 4.77 -1.26 -4.51 117.00 118.41 1xz4 n LEU 48 Ca 0.09 -1.90 -0.31 0.00 -0.03 0.00 0.00 56.01 53.87 1xz4 n LEU 48 Cb 0.48 -0.26 0.13 0.00 -2.33 0.00 0.00 43.42 41.45 1xz4 n LEU 48 CO 0.51 0.75 0.68 -0.94 -1.33 0.00 0.00 177.39 177.06 1xz4 s SER 49 N -1.02 3.57 0.12 -1.43 1.04 -1.26 -4.91 113.70 109.81 1xz4 s SER 49 Ca 0.27 1.91 -0.31 0.00 0.48 0.00 0.00 55.95 58.30 1xz4 s SER 49 Cb 0.15 -2.48 -0.10 0.00 0.10 0.00 0.00 66.02 63.68 1xz4 s SER 49 CO 0.19 -2.64 1.85 -2.28 0.98 0.00 0.00 173.24 171.34 1xz4 s HIS 50 N -2.79 2.05 0.00 5.02 2.46 -1.26 -1.95 115.29 118.82 1xz4 s HIS 50 Ca 0.64 -0.09 0.00 0.00 0.47 0.00 0.00 55.06 56.08 1xz4 s HIS 50 Cb -0.20 -4.20 0.00 0.00 -0.13 0.00 0.00 32.58 28.05 1xz4 s HIS 50 CO 0.57 -5.00 0.00 0.41 -2.47 0.00 0.00 174.74 168.25 1xz4 n GLY 51 N 4.28 0.68 3.64 1.59 0.00 -1.26 -5.03 105.19 109.09 1xz4 n GLY 51 Ca 0.18 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.70 1xz4 n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xz4 n SER 52 N 0.00 2.40 0.06 1.61 2.88 -0.82 -4.86 113.62 114.88 1xz4 n SER 52 Ca 0.00 1.09 -0.03 0.00 -1.33 0.00 0.00 58.87 58.60 1xz4 n SER 52 Cb 0.00 -1.30 0.20 0.00 -0.75 0.00 0.00 64.21 62.36 1xz4 n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xz4 h ALA 53 N 5.55 1.06 -0.64 -1.46 0.00 -1.91 0.51 119.26 122.38 1xz4 h ALA 53 Ca -0.46 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.05 1xz4 h ALA 53 Cb 1.30 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1xz4 h ALA 53 CO 0.84 0.59 0.40 1.96 0.00 0.00 0.00 179.25 183.04 1xz4 h GLN 54 N 0.30 0.85 -0.09 0.00 4.20 -1.90 0.78 115.11 119.26 1xz4 h GLN 54 Ca 0.03 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1xz4 h GLN 54 Cb 0.79 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 1xz4 h GLN 54 CO 0.06 0.60 -0.01 0.28 -0.67 0.00 0.00 178.83 179.09 1xz4 h VAL 55 N 0.86 1.28 -0.72 -0.54 2.07 -1.66 0.75 116.25 118.29 1xz4 h VAL 55 Ca 0.23 -0.88 0.01 0.00 0.82 0.00 0.00 66.70 66.88 1xz4 h VAL 55 Cb -0.05 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1xz4 h VAL 55 CO -0.05 0.25 0.47 0.11 0.02 0.00 0.00 177.57 178.37 1xz4 h LYS 56 N -0.15 0.93 0.05 1.57 1.57 -0.56 0.18 116.57 120.15 1xz4 h LYS 56 Ca 0.02 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1xz4 h LYS 56 Cb 0.39 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1xz4 h LYS 56 CO 0.01 0.62 -0.02 0.78 -0.57 0.00 0.00 179.45 180.26 1xz4 h GLY 57 N 0.96 -0.07 1.52 3.86 0.00 0.75 -1.70 103.07 108.39 1xz4 h GLY 57 Ca 0.27 0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.55 1xz4 h GLY 57 CO -0.06 -0.02 -0.08 0.84 0.00 0.00 0.00 176.54 177.21 1xz4 h HIS 58 N -0.06 0.62 -0.91 5.60 -0.00 -0.49 -2.20 115.15 117.70 1xz4 h HIS 58 Ca -0.01 -0.09 -0.02 0.00 -0.00 0.00 0.00 60.37 60.26 1xz4 h HIS 58 Cb 0.05 -0.17 -0.04 0.00 -0.00 0.00 0.00 27.41 27.25 1xz4 h HIS 58 CO -0.08 0.64 0.51 0.78 -0.00 0.00 0.00 177.93 179.79 1xz4 h GLY 59 N 0.92 1.35 1.01 5.26 0.00 -0.27 -0.94 103.07 110.41 1xz4 h GLY 59 Ca 0.10 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 1xz4 h GLY 59 CO 0.02 0.58 0.32 1.70 0.00 0.00 0.00 176.54 179.17 1xz4 h LYS 60 N 1.27 0.97 -0.47 4.80 3.64 -0.73 -1.33 116.57 124.72 1xz4 h LYS 60 Ca 0.32 -0.14 -0.10 0.00 -1.27 0.00 0.00 60.65 59.46 1xz4 h LYS 60 Cb 0.01 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 1xz4 h LYS 60 CO -0.05 0.77 -0.11 0.87 -2.27 0.00 0.00 179.45 178.65 1xz4 h LYS 61 N 0.93 0.86 -0.21 1.90 1.57 -0.83 -1.40 116.57 119.39 1xz4 h LYS 61 Ca 0.23 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1xz4 h LYS 61 Cb 0.12 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1xz4 h LYS 61 CO -0.03 0.93 0.11 0.28 -0.57 0.00 0.00 179.45 180.17 1xz4 h VAL 62 N 0.77 1.13 -0.95 0.50 2.07 -1.06 -2.31 116.25 116.40 1xz4 h VAL 62 Ca 0.13 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.29 1xz4 h VAL 62 Cb 0.62 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 1xz4 h VAL 62 CO 0.04 0.13 0.63 0.00 0.02 0.00 0.00 177.57 178.39 1xz4 h ALA 63 N 0.98 1.21 -0.22 1.67 0.00 -1.07 -1.12 119.26 120.71 1xz4 h ALA 63 Ca 0.07 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1xz4 h ALA 63 Cb 0.10 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1xz4 h ALA 63 CO -0.01 0.61 -0.22 -0.44 0.00 0.00 0.00 179.25 179.19 1xz4 h ASP 64 N 1.29 0.39 -0.44 0.00 3.32 -1.16 0.12 116.42 119.95 1xz4 h ASP 64 Ca 0.35 -0.12 -0.12 0.00 0.02 0.00 0.00 57.03 57.16 1xz4 h ASP 64 Cb -0.15 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 1xz4 h ASP 64 CO -0.08 0.62 -0.20 0.00 -1.72 0.00 0.00 179.24 177.87 1xz4 h ALA 65 N 1.41 0.62 -0.57 3.45 0.00 -0.76 -1.66 119.26 121.75 1xz4 h ALA 65 Ca 0.06 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1xz4 h ALA 65 Cb 0.59 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1xz4 h ALA 65 CO 0.04 0.59 -0.07 -0.07 0.00 0.00 0.00 179.25 179.74 1xz4 h LEU 66 N 0.75 1.05 -0.88 0.00 3.38 -0.90 -1.85 115.31 116.85 1xz4 h LEU 66 Ca 0.10 -0.33 0.07 0.00 0.09 0.00 0.00 57.88 57.81 1xz4 h LEU 66 Cb 0.77 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 1xz4 h LEU 66 CO 0.06 1.14 0.54 0.74 0.09 0.00 0.00 178.44 181.01 1xz4 h THR 67 N 0.95 1.01 -0.27 0.22 2.02 -0.40 -1.59 112.91 114.85 1xz4 h THR 67 Ca 0.15 -0.33 -0.07 0.00 0.77 0.00 0.00 66.41 66.93 1xz4 h THR 67 Cb 0.64 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1xz4 h THR 67 CO 0.04 0.18 -0.15 -1.13 0.37 0.00 0.00 175.52 174.83 1xz4 h ASN 68 N 0.96 0.45 -0.38 4.18 -1.24 -0.89 -2.79 115.58 115.87 1xz4 h ASN 68 Ca 0.40 -0.12 -0.12 0.00 0.71 0.00 0.00 56.30 57.16 1xz4 h ASN 68 Cb 0.24 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.15 1xz4 h ASN 68 CO -0.20 0.63 -0.22 0.00 -1.29 0.00 0.00 177.43 176.35 1xz4 h ALA 69 N 1.42 0.79 -0.45 1.57 0.00 -0.50 -1.79 119.26 120.31 1xz4 h ALA 69 Ca 0.08 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1xz4 h ALA 69 Cb 0.51 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1xz4 h ALA 69 CO 0.03 0.65 -0.01 0.28 0.00 0.00 0.00 179.25 180.21 1xz4 h VAL 70 N 0.76 1.26 -0.87 0.00 2.07 -1.10 0.51 116.25 118.88 1xz4 h VAL 70 Ca 0.10 -1.05 0.02 0.00 0.82 0.00 0.00 66.70 66.59 1xz4 h VAL 70 Cb 0.76 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 1xz4 h VAL 70 CO 0.06 0.36 0.57 0.00 0.02 0.00 0.00 177.57 178.59 1xz4 h ALA 71 N 0.91 1.13 -0.81 1.67 0.00 -1.44 -2.83 119.26 117.88 1xz4 h ALA 71 Ca 0.13 -0.05 -0.49 0.00 0.00 0.00 0.00 54.91 54.49 1xz4 h ALA 71 Cb 0.50 -0.33 -0.27 0.00 0.00 0.00 0.00 17.79 17.69 1xz4 h ALA 71 CO 0.02 0.47 0.37 0.72 0.00 0.00 0.00 179.25 180.83 1xz4 n HIS 72 N -4.50 2.60 0.32 0.00 8.25 -0.68 -4.76 115.22 116.46 1xz4 n HIS 72 Ca 0.10 -2.21 0.16 0.00 -0.26 0.00 0.00 57.72 55.51 1xz4 n HIS 72 Cb 0.05 -0.93 0.88 0.00 1.12 0.00 0.00 29.99 31.11 1xz4 n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1xz4 h VAL 73 N 1.14 0.00 0.00 1.59 3.04 -0.64 0.77 116.25 122.15 1xz4 h VAL 73 Ca 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.19 1xz4 h VAL 73 Cb 1.78 0.71 0.00 0.00 -2.01 0.00 0.00 31.29 31.77 1xz4 h VAL 73 CO 1.05 0.00 -0.75 0.47 -1.01 0.00 0.00 177.57 177.33 1xz4 n ASP 74 N -2.87 0.62 -2.74 3.17 8.00 -1.26 -4.36 116.55 117.11 1xz4 n ASP 74 Ca -0.02 -0.25 -0.05 0.00 0.71 0.00 0.00 54.79 55.18 1xz4 n ASP 74 Cb 0.31 0.49 0.04 0.00 -0.02 0.00 0.00 41.12 41.94 1xz4 n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1xz4 n ASP 75 N -1.76 1.52 -0.31 -2.24 2.03 0.22 -4.97 116.55 111.04 1xz4 n ASP 75 Ca 0.04 -2.41 -0.01 0.00 0.52 0.00 0.00 54.79 52.93 1xz4 n ASP 75 Cb 0.39 -0.51 0.12 0.00 -0.72 0.00 0.00 41.12 40.40 1xz4 n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1xz4 h MET 76 N 2.82 1.00 -0.86 -0.67 2.86 -1.65 -2.36 114.93 116.08 1xz4 h MET 76 Ca -0.11 -0.06 0.12 0.00 -2.06 0.00 0.00 59.70 57.58 1xz4 h MET 76 Cb 1.22 -0.22 -0.06 0.00 0.06 0.00 0.00 31.60 32.59 1xz4 h MET 76 CO 0.36 0.66 0.55 -1.35 1.06 0.00 0.00 176.91 178.19 1xz4 h PRO 77 N 1.03 0.73 0.17 -0.22 0.11 -1.93 0.30 132.00 132.18 1xz4 h PRO 77 Ca 0.36 -0.04 -0.33 0.00 0.11 0.00 0.00 66.00 66.09 1xz4 h PRO 77 Cb 0.08 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.03 1xz4 h PRO 77 CO -0.14 0.48 -1.62 -0.91 -0.21 0.00 0.00 178.00 175.60 1xz4 h ASN 78 N 0.75 0.56 -0.79 -2.05 2.35 -1.95 -3.08 115.58 111.36 1xz4 h ASN 78 Ca 0.41 -0.76 0.06 0.00 -0.55 0.00 0.00 56.30 55.46 1xz4 h ASN 78 Cb 0.55 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.69 1xz4 h ASN 78 CO -0.17 1.63 0.52 0.00 -1.65 0.00 0.00 177.43 177.76 1xz4 h ALA 79 N 0.28 1.61 -0.50 -0.83 0.00 -0.90 -2.34 119.26 116.58 1xz4 h ALA 79 Ca -0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1xz4 h ALA 79 Cb 2.07 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1xz4 h ALA 79 CO 0.19 0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.99 1xz4 n LEU 80 N -4.48 4.44 -0.24 0.00 4.77 1.00 -4.71 117.00 117.78 1xz4 n LEU 80 Ca 0.12 -2.59 -0.00 0.00 -0.03 0.00 0.00 56.01 53.50 1xz4 n LEU 80 Cb 0.20 -0.54 0.12 0.00 -2.33 0.00 0.00 43.42 40.87 1xz4 n LEU 80 CO 0.34 0.74 1.08 -1.28 -1.33 0.00 0.00 177.39 176.94 1xz4 h SER 81 N 3.23 0.52 -0.61 -1.43 0.87 -1.32 -0.32 113.55 114.48 1xz4 h SER 81 Ca 0.00 0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.54 1xz4 h SER 81 Cb 1.43 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 63.31 1xz4 h SER 81 CO 0.24 0.32 0.14 0.00 -0.53 0.00 0.00 176.83 176.99 1xz4 h ALA 82 N 1.39 1.05 -0.29 6.23 0.00 -1.84 -1.82 119.26 123.97 1xz4 h ALA 82 Ca 0.32 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1xz4 h ALA 82 Cb 0.27 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1xz4 h ALA 82 CO -0.22 0.62 -0.11 -0.07 0.00 0.00 0.00 179.25 179.47 1xz4 h LEU 83 N 0.96 0.60 -0.97 0.00 3.38 -1.70 -1.69 115.31 115.89 1xz4 h LEU 83 Ca 0.20 -0.39 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 1xz4 h LEU 83 Cb 0.36 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1xz4 h LEU 83 CO 0.00 0.85 -0.21 0.77 0.09 0.00 0.00 178.44 179.95 1xz4 h SER 84 N 0.34 0.50 -0.28 -0.43 4.64 -0.99 0.16 113.55 117.49 1xz4 h SER 84 Ca 0.07 -0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 61.19 1xz4 h SER 84 Cb 0.61 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1xz4 h SER 84 CO 0.04 0.72 -0.01 0.44 -0.87 0.00 0.00 176.83 177.14 1xz4 h ASP 85 N 0.45 0.49 -0.52 4.97 3.32 -1.25 -1.72 116.42 122.17 1xz4 h ASP 85 Ca 0.07 -0.32 -0.05 0.00 0.02 0.00 0.00 57.03 56.76 1xz4 h ASP 85 Cb 0.62 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 1xz4 h ASP 85 CO 0.04 0.69 0.15 0.25 -1.72 0.00 0.00 179.24 178.66 1xz4 h LEU 86 N 0.28 0.81 -0.09 1.55 5.85 -0.66 0.21 115.31 123.26 1xz4 h LEU 86 Ca 0.08 -0.14 -0.15 0.00 0.84 0.00 0.00 57.88 58.51 1xz4 h LEU 86 Cb 0.44 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 41.27 1xz4 h LEU 86 CO 0.02 0.78 -0.52 0.45 -0.34 0.00 0.00 178.44 178.83 1xz4 h HIS 87 N 0.84 0.69 -0.35 1.25 3.86 -0.62 -0.46 115.15 120.36 1xz4 h HIS 87 Ca 0.19 -0.31 -0.13 0.00 -1.16 0.00 0.00 60.37 58.95 1xz4 h HIS 87 Cb 0.28 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 1xz4 h HIS 87 CO 0.02 1.09 -0.32 0.00 0.86 0.00 0.00 177.93 179.58 1xz4 h ALA 88 N 0.45 0.77 0.00 2.45 0.00 -1.07 0.42 119.26 122.28 1xz4 h ALA 88 Ca -0.04 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1xz4 h ALA 88 Cb 1.17 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1xz4 h ALA 88 CO 0.11 0.65 -1.15 0.72 0.00 0.00 0.00 179.25 179.58 1xz4 n HIS 89 N -4.07 0.00 0.03 0.00 8.25 0.04 -4.52 115.22 114.95 1xz4 n HIS 89 Ca -0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.44 1xz4 n HIS 89 Cb 0.49 -0.17 -0.00 0.00 1.12 0.00 0.00 29.99 31.44 1xz4 n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1xz4 n LYS 90 N -1.66 0.03 -0.02 -0.41 0.00 -0.78 -4.84 118.16 110.49 1xz4 n LYS 90 Ca -0.00 0.01 -0.12 0.00 0.00 0.00 0.00 58.31 58.20 1xz4 n LYS 90 Cb 0.27 -0.42 -0.07 0.00 0.00 0.00 0.00 35.03 34.80 1xz4 n LYS 90 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1xz4 h LEU 91 N -0.06 0.11 -1.36 3.14 3.38 -1.18 -3.47 115.31 115.88 1xz4 h LEU 91 Ca 0.00 -0.29 -0.42 0.00 0.09 0.00 0.00 57.88 57.26 1xz4 h LEU 91 Cb 0.06 -0.03 0.06 0.00 0.09 0.00 0.00 40.66 40.83 1xz4 h LEU 91 CO 0.00 0.37 -0.77 0.54 0.09 0.00 0.00 178.44 178.67 1xz4 n ARG 92 N -4.87 -5.87 -2.33 1.13 1.74 0.15 -4.96 116.66 101.65 1xz4 n ARG 92 Ca -0.07 0.68 -0.38 0.00 -0.77 0.00 0.00 57.85 57.31 1xz4 n ARG 92 Cb 0.18 -5.49 -0.02 0.00 -1.02 0.00 0.00 32.46 26.10 1xz4 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xz4 s VAL 93 N -3.45 3.23 0.26 1.55 1.01 -1.26 -4.97 120.40 116.77 1xz4 s VAL 93 Ca 0.30 1.04 -0.30 0.00 0.00 0.00 0.00 61.98 63.03 1xz4 s VAL 93 Cb -0.15 -3.59 -0.10 0.00 0.00 0.00 0.00 36.38 32.55 1xz4 s VAL 93 CO 0.79 0.11 1.31 -0.62 0.00 0.00 0.00 175.10 176.69 1xz4 s ASP 94 N -1.14 6.84 0.56 3.32 2.15 -1.26 -4.95 116.67 122.20 1xz4 s ASP 94 Ca 0.56 2.54 0.28 0.00 0.43 0.00 0.00 52.55 56.36 1xz4 s ASP 94 Cb -0.30 -2.63 1.47 0.00 -0.30 0.00 0.00 42.92 41.16 1xz4 s ASP 94 CO 0.38 -0.52 1.95 -0.65 -0.17 0.00 0.00 175.17 176.16 1xz4 h PRO 95 N 4.45 0.00 0.00 4.34 0.11 -2.01 -1.92 132.00 136.97 1xz4 h PRO 95 Ca -0.47 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1xz4 h PRO 95 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1xz4 h PRO 95 CO 0.72 0.00 -0.12 -0.39 -0.21 0.00 0.00 178.00 178.00 1xz4 h VAL 96 N 0.00 0.90 -0.00 3.15 -1.51 -2.03 -2.85 116.25 113.90 1xz4 h VAL 96 Ca 0.25 -0.45 -0.02 0.00 -1.23 0.00 0.00 66.70 65.25 1xz4 h VAL 96 Cb 1.13 1.25 -0.00 0.00 -2.13 0.00 0.00 31.29 31.54 1xz4 h VAL 96 CO -0.00 0.12 -0.11 0.78 -1.23 0.00 0.00 177.57 177.13 1xz4 h ASN 97 N 0.00 0.00 -0.56 4.19 2.35 -1.73 -2.07 115.58 117.76 1xz4 h ASN 97 Ca -0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1xz4 h ASN 97 Cb 0.24 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 1xz4 h ASN 97 CO 0.02 0.11 0.36 -0.26 -1.65 0.00 0.00 177.43 176.01 1xz4 h PHE 98 N 0.00 0.72 -0.13 1.19 0.04 -1.68 -1.55 116.94 115.54 1xz4 h PHE 98 Ca -0.00 0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.68 1xz4 h PHE 98 Cb 0.20 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 1xz4 h PHE 98 CO 0.00 0.47 -0.38 0.87 -0.60 0.00 0.00 178.31 178.67 1xz4 h LYS 99 N 0.77 0.27 -0.15 1.51 1.57 -1.53 -0.97 116.57 118.04 1xz4 h LYS 99 Ca 0.21 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.75 1xz4 h LYS 99 Cb -0.06 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1xz4 h LYS 99 CO -0.04 0.62 -0.35 -0.07 -0.57 0.00 0.00 179.45 179.03 1xz4 h LEU 100 N 0.23 0.58 -0.54 2.94 3.38 -1.29 -2.08 115.31 118.53 1xz4 h LEU 100 Ca 0.02 -0.57 -0.15 0.00 0.09 0.00 0.00 57.88 57.27 1xz4 h LEU 100 Cb 0.78 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1xz4 h LEU 100 CO 0.06 1.04 -0.47 0.25 0.09 0.00 0.00 178.44 179.41 1xz4 h LEU 101 N 0.14 0.69 -0.18 1.67 5.85 -1.16 -2.26 115.31 120.06 1xz4 h LEU 101 Ca -0.00 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1xz4 h LEU 101 Cb 0.96 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 1xz4 h LEU 101 CO 0.08 1.05 0.12 0.28 -0.34 0.00 0.00 178.44 179.63 1xz4 h SER 102 N 0.51 0.21 -0.97 1.25 0.02 -1.15 0.06 113.55 113.47 1xz4 h SER 102 Ca 0.03 -0.01 0.10 0.00 -0.84 0.00 0.00 61.79 61.07 1xz4 h SER 102 Cb 1.02 -0.05 -0.07 0.00 0.14 0.00 0.00 62.40 63.43 1xz4 h SER 102 CO 0.09 0.16 0.62 -0.74 -1.14 0.00 0.00 176.83 175.82 1xz4 h HIS 103 N 0.24 1.10 -0.11 3.45 -0.00 -1.22 -1.50 115.15 117.12 1xz4 h HIS 103 Ca 0.07 0.03 -0.15 0.00 -0.00 0.00 0.00 60.37 60.32 1xz4 h HIS 103 Cb -0.02 -0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 27.02 1xz4 h HIS 103 CO -0.06 0.48 -0.57 0.00 -0.00 0.00 0.00 177.93 177.78 1xz4 h LEU 105 N 0.27 0.66 -0.28 0.00 3.38 -0.54 -1.34 115.31 117.45 1xz4 h LEU 105 Ca 0.00 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1xz4 h LEU 105 Cb 1.08 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1xz4 h LEU 105 CO 0.09 0.63 0.16 -0.07 0.09 0.00 0.00 178.44 179.35 1xz4 h LEU 106 N 0.64 0.34 -0.68 1.67 3.38 -1.05 -0.07 115.31 119.55 1xz4 h LEU 106 Ca 0.16 -0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.14 1xz4 h LEU 106 Cb 0.17 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 1xz4 h LEU 106 CO -0.02 0.32 0.35 0.58 0.09 0.00 0.00 178.44 179.77 1xz4 h VAL 107 N 0.34 0.89 -0.16 1.22 2.07 -1.12 -0.47 116.25 119.02 1xz4 h VAL 107 Ca 0.10 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1xz4 h VAL 107 Cb 0.05 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1xz4 h VAL 107 CO -0.02 0.11 0.09 0.74 0.02 0.00 0.00 177.57 178.52 1xz4 h THR 108 N 0.62 1.08 -0.07 2.57 2.02 -0.54 -1.52 112.91 117.07 1xz4 h THR 108 Ca 0.33 -0.20 0.02 0.00 0.77 0.00 0.00 66.41 67.32 1xz4 h THR 108 Cb 0.30 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 1xz4 h THR 108 CO -0.24 0.07 -0.06 -0.07 0.37 0.00 0.00 175.52 175.59 1xz4 h LEU 109 N 0.18 -0.20 -0.99 2.58 3.38 -0.73 -2.60 115.31 116.93 1xz4 h LEU 109 Ca 0.06 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.16 1xz4 h LEU 109 Cb 0.04 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 1xz4 h LEU 109 CO -0.01 -0.09 0.63 0.00 0.09 0.00 0.00 178.44 179.06 1xz4 h ALA 110 N 0.98 1.42 0.00 1.53 0.00 -0.85 0.23 119.26 122.57 1xz4 h ALA 110 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xz4 h ALA 110 Cb 0.15 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1xz4 h ALA 110 CO -0.12 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.47 1xz4 h ALA 111 N 1.48 1.00 0.00 0.00 0.00 -0.91 -3.24 119.26 117.59 1xz4 h ALA 111 Ca 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.32 1xz4 h ALA 111 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1xz4 h ALA 111 CO -0.21 0.00 -1.65 0.72 0.00 0.00 0.00 179.25 178.11 1xz4 n HIS 112 N -2.86 0.00 -3.41 0.00 -0.00 -0.50 -4.80 115.22 103.65 1xz4 n HIS 112 Ca 0.01 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.45 1xz4 n HIS 112 Cb 0.30 -0.36 -0.08 0.00 -0.00 0.00 0.00 29.99 29.85 1xz4 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1xz4 n LEU 113 N -2.05 3.90 -0.07 2.41 4.77 0.69 -4.93 117.00 121.72 1xz4 n LEU 113 Ca -0.06 -5.43 -0.10 0.00 -0.03 0.00 0.00 56.01 50.39 1xz4 n LEU 113 Cb 0.45 -0.70 -0.04 0.00 -2.33 0.00 0.00 43.42 40.79 1xz4 n LEU 113 CO 0.27 2.03 0.60 -0.65 -1.33 0.00 0.00 177.39 178.32 1xz4 h PRO 114 N 4.26 -0.36 -0.21 3.23 0.11 -1.84 -2.07 132.00 135.11 1xz4 h PRO 114 Ca 0.20 0.02 -0.19 0.00 0.11 0.00 0.00 66.00 66.15 1xz4 h PRO 114 Cb 0.66 0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1xz4 h PRO 114 CO 0.86 -0.24 -0.62 0.00 -0.21 0.00 0.00 178.00 177.80 1xz4 h ALA 115 N 0.39 0.50 0.00 -0.75 0.00 -1.95 -3.31 119.26 114.15 1xz4 h ALA 115 Ca 0.12 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1xz4 h ALA 115 Cb 0.58 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1xz4 h ALA 115 CO -0.48 0.69 -0.26 0.39 0.00 0.00 0.00 179.25 179.59 1xz4 n GLU 116 N -3.96 0.21 -2.18 0.00 4.71 -1.07 -4.46 120.64 113.89 1xz4 n GLU 116 Ca -0.05 0.12 -0.41 0.00 -0.01 0.00 0.00 57.16 56.81 1xz4 n GLU 116 Cb 0.66 -1.70 0.00 0.00 -1.01 0.00 0.00 31.44 29.39 1xz4 n GLU 116 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1xz4 n PHE 117 N -2.04 2.74 -2.06 -0.32 7.35 -0.80 -4.78 117.46 117.55 1xz4 n PHE 117 Ca 0.05 -2.80 -0.27 0.00 -0.76 0.00 0.00 57.45 53.67 1xz4 n PHE 117 Cb 0.41 -1.88 0.09 0.00 0.35 0.00 0.00 39.48 38.45 1xz4 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1xz4 s THR 118 N -0.43 2.13 0.38 -2.13 -4.23 -1.26 -4.78 115.64 105.32 1xz4 s THR 118 Ca 0.46 -0.14 0.09 0.00 -1.18 0.00 0.00 61.69 60.92 1xz4 s THR 118 Cb 0.14 -2.99 0.31 0.00 1.34 0.00 0.00 72.50 71.30 1xz4 s THR 118 CO -0.04 0.00 1.94 -0.65 -0.54 0.00 0.00 174.62 175.33 1xz4 h PRO 119 N -0.87 0.63 -0.22 3.99 0.11 -1.99 0.72 132.00 134.38 1xz4 h PRO 119 Ca -0.45 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 1xz4 h PRO 119 Cb 1.32 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1xz4 h PRO 119 CO 0.61 0.42 -0.29 0.00 -0.21 0.00 0.00 178.00 178.53 1xz4 h ALA 120 N 1.62 0.33 -0.39 -0.75 0.00 -1.96 -0.91 119.26 117.20 1xz4 h ALA 120 Ca 0.35 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1xz4 h ALA 120 Cb 0.48 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1xz4 h ALA 120 CO -0.12 0.34 -0.24 0.28 0.00 0.00 0.00 179.25 179.51 1xz4 h VAL 121 N 0.26 1.28 -0.71 0.00 2.07 -1.75 -1.66 116.25 115.74 1xz4 h VAL 121 Ca 0.03 -1.39 0.08 0.00 0.82 0.00 0.00 66.70 66.24 1xz4 h VAL 121 Cb 0.86 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.89 1xz4 h VAL 121 CO 0.07 0.46 0.38 -0.74 0.02 0.00 0.00 177.57 177.76 1xz4 h HIS 122 N 0.66 0.69 -0.57 1.57 6.17 -0.72 0.31 115.15 123.26 1xz4 h HIS 122 Ca 0.08 0.03 -0.11 0.00 0.71 0.00 0.00 60.37 61.08 1xz4 h HIS 122 Cb 0.80 -0.21 -0.02 0.00 2.52 0.00 0.00 27.41 30.51 1xz4 h HIS 122 CO 0.06 0.29 -0.06 0.00 0.71 0.00 0.00 177.93 178.93 1xz4 h ALA 123 N 1.40 0.81 -0.25 5.26 0.00 -0.78 -1.44 119.26 124.28 1xz4 h ALA 123 Ca 0.34 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1xz4 h ALA 123 Cb 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1xz4 h ALA 123 CO -0.23 0.67 -0.49 0.77 0.00 0.00 0.00 179.25 179.97 1xz4 h SER 124 N 0.94 0.72 -0.02 0.00 0.02 -0.46 -2.02 113.55 112.73 1xz4 h SER 124 Ca 0.16 -0.36 -0.12 0.00 -0.84 0.00 0.00 61.79 60.63 1xz4 h SER 124 Cb 0.62 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1xz4 h SER 124 CO 0.04 1.09 -0.34 -0.07 -1.14 0.00 0.00 176.83 176.41 1xz4 h LEU 125 N 0.52 0.52 -0.38 5.07 3.38 -0.86 0.53 115.31 124.10 1xz4 h LEU 125 Ca 0.03 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 1xz4 h LEU 125 Cb 1.04 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1xz4 h LEU 125 CO 0.10 0.83 -0.01 -0.78 0.09 0.00 0.00 178.44 178.67 1xz4 h ASP 126 N 0.43 0.66 -0.49 -0.43 3.58 -0.90 -1.01 116.42 118.26 1xz4 h ASP 126 Ca 0.05 -0.31 -0.07 0.00 0.42 0.00 0.00 57.03 57.12 1xz4 h ASP 126 Cb 0.80 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.65 1xz4 h ASP 126 CO 0.06 0.82 0.07 0.11 -2.88 0.00 0.00 179.24 177.42 1xz4 h LYS 127 N 0.49 0.88 0.18 0.28 1.57 -1.05 -1.57 116.57 117.35 1xz4 h LYS 127 Ca 0.11 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1xz4 h LYS 127 Cb 0.48 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1xz4 h LYS 127 CO 0.02 0.84 -0.09 0.35 -0.57 0.00 0.00 179.45 180.00 1xz4 h PHE 128 N 0.83 -0.22 -0.09 -1.35 3.57 -0.56 -0.26 116.94 118.86 1xz4 h PHE 128 Ca 0.17 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.59 1xz4 h PHE 128 Cb 0.40 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 1xz4 h PHE 128 CO 0.02 -0.06 -0.27 -0.07 -2.23 0.00 0.00 178.31 175.71 1xz4 h LEU 129 N -0.34 0.15 -0.44 0.59 3.38 -1.08 -1.13 115.31 116.44 1xz4 h LEU 129 Ca -0.02 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1xz4 h LEU 129 Cb 0.26 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1xz4 h LEU 129 CO 0.04 0.43 -0.05 0.00 0.09 0.00 0.00 178.44 178.95 1xz4 h ALA 130 N 1.59 0.60 -0.39 1.53 0.00 -1.05 -1.53 119.26 120.01 1xz4 h ALA 130 Ca 0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1xz4 h ALA 130 Cb 0.55 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1xz4 h ALA 130 CO 0.04 0.44 0.18 0.77 0.00 0.00 0.00 179.25 180.68 1xz4 h SER 131 N 0.65 0.52 -0.40 0.00 0.02 -0.45 0.05 113.55 113.94 1xz4 h SER 131 Ca 0.12 -0.14 0.06 0.00 -0.84 0.00 0.00 61.79 60.99 1xz4 h SER 131 Cb 0.56 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.92 1xz4 h SER 131 CO 0.03 0.52 0.10 0.58 -1.14 0.00 0.00 176.83 176.92 1xz4 h VAL 132 N 0.50 0.82 -0.21 2.27 2.07 -1.19 0.98 116.25 121.49 1xz4 h VAL 132 Ca 0.13 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.61 1xz4 h VAL 132 Cb 0.14 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1xz4 h VAL 132 CO -0.02 0.04 -0.03 0.28 0.02 0.00 0.00 177.57 177.87 1xz4 h SER 133 N 0.24 -0.15 -0.93 0.57 0.02 -0.87 0.22 113.55 112.65 1xz4 h SER 133 Ca 0.19 0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.26 1xz4 h SER 133 Cb 0.21 0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.80 1xz4 h SER 133 CO -0.23 -0.05 0.61 0.74 -1.14 0.00 0.00 176.83 176.76 1xz4 h THR 134 N 0.03 1.08 -0.13 -2.27 2.02 -0.64 -0.73 112.91 112.27 1xz4 h THR 134 Ca 0.10 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 1xz4 h THR 134 Cb 0.14 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.45 1xz4 h THR 134 CO -0.20 0.20 -0.03 0.58 0.37 0.00 0.00 175.52 176.44 1xz4 h VAL 135 N 1.08 1.29 0.00 3.16 2.07 0.89 -2.06 116.25 122.68 1xz4 h VAL 135 Ca 0.40 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 1xz4 h VAL 135 Cb 0.17 1.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1xz4 h VAL 135 CO -0.15 0.28 -0.02 -0.07 0.02 0.00 0.00 177.57 177.63 1xz4 h LEU 136 N -0.06 0.00 -2.30 2.57 3.38 0.22 -1.74 115.31 117.37 1xz4 h LEU 136 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1xz4 h LEU 136 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1xz4 h LEU 136 CO 0.01 0.02 0.00 0.35 0.09 0.00 0.00 178.44 178.91 1xz4 n THR 137 N -3.24 0.55 0.25 0.22 -2.24 -0.36 -4.54 114.28 104.92 1xz4 n THR 137 Ca -0.02 -0.78 0.11 0.00 -2.27 0.00 0.00 64.05 61.09 1xz4 n THR 137 Cb 0.15 0.88 0.65 0.00 -2.10 0.00 0.00 70.33 69.91 1xz4 n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1xz4 h SER 138 N 3.18 0.00 -0.48 3.42 4.64 -0.58 -2.84 113.55 120.88 1xz4 h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xz4 h SER 138 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1xz4 h SER 138 CO 0.00 0.15 0.00 0.29 -0.87 0.00 0.00 176.83 176.40 1xz4 n LYS 139 N -3.79 3.32 0.07 4.77 5.02 -1.26 -4.66 118.16 121.62 1xz4 n LYS 139 Ca -0.02 -2.66 0.04 0.00 -2.02 0.00 0.00 58.31 53.66 1xz4 n LYS 139 Cb 0.26 -1.72 0.46 0.00 -0.02 0.00 0.00 35.03 34.01 1xz4 n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1xz4 h TYR 140 N 3.04 0.38 0.00 2.13 0.99 -1.82 -3.46 116.97 118.23 1xz4 h TYR 140 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1xz4 h TYR 140 Cb 1.26 -0.13 0.00 0.00 1.00 0.00 0.00 36.73 38.86 1xz4 h TYR 140 CO 0.56 0.27 0.00 2.89 -0.00 0.00 0.00 178.16 181.88