#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 4.36 0.63 4.03 1.43 -1.26 -5.02 118.68 122.84 1xz4 s LEU 2 Ca 0.00 2.40 -0.06 0.00 -1.03 0.00 0.00 54.13 55.43 1xz4 s LEU 2 Cb 0.00 -3.57 0.03 0.00 0.03 0.00 0.00 46.19 42.67 1xz4 s LEU 2 CO 0.00 -0.79 0.94 -0.94 0.23 0.00 0.00 176.35 175.79 1xz4 s SER 3 N 1.79 5.33 0.30 2.29 1.04 -1.26 -4.88 113.70 118.31 1xz4 s SER 3 Ca 0.69 0.63 0.02 0.00 0.48 0.00 0.00 55.95 57.77 1xz4 s SER 3 Cb -0.38 -1.50 0.58 0.00 0.10 0.00 0.00 66.02 64.82 1xz4 s SER 3 CO 0.30 -1.24 1.87 -0.65 0.98 0.00 0.00 173.24 174.50 1xz4 h PRO 4 N -0.32 0.94 -0.71 4.02 0.11 -1.99 -1.07 132.00 132.98 1xz4 h PRO 4 Ca -0.45 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1xz4 h PRO 4 Cb 1.28 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1xz4 h PRO 4 CO 0.60 0.62 0.38 0.00 -0.21 0.00 0.00 178.00 179.40 1xz4 h ALA 5 N 1.53 1.34 -0.39 -0.75 0.00 -1.99 -0.63 119.26 118.37 1xz4 h ALA 5 Ca 0.45 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 1xz4 h ALA 5 Cb 0.40 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1xz4 h ALA 5 CO -0.21 0.54 0.07 -0.44 0.00 0.00 0.00 179.25 179.21 1xz4 h ASP 6 N 0.99 0.61 -0.43 0.00 3.32 -1.60 -1.08 116.42 118.23 1xz4 h ASP 6 Ca 0.25 -0.25 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 1xz4 h ASP 6 Cb 0.03 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1xz4 h ASP 6 CO -0.04 0.71 0.05 0.11 -1.72 0.00 0.00 179.24 178.34 1xz4 h LYS 7 N 0.48 0.81 -0.12 3.56 1.57 -0.76 -1.57 116.57 120.54 1xz4 h LYS 7 Ca 0.12 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1xz4 h LYS 7 Cb 0.35 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1xz4 h LYS 7 CO 0.01 0.78 0.03 1.15 -0.57 0.00 0.00 179.45 180.85 1xz4 h THR 8 N 0.77 1.20 -0.63 -0.16 2.02 -0.90 -2.23 112.91 112.97 1xz4 h THR 8 Ca 0.16 -0.62 0.03 0.00 0.77 0.00 0.00 66.41 66.75 1xz4 h THR 8 Cb 0.40 1.37 -0.04 0.00 -1.74 0.00 0.00 68.15 68.14 1xz4 h THR 8 CO 0.01 0.18 0.37 0.78 0.37 0.00 0.00 175.52 177.24 1xz4 h ASN 9 N -0.00 0.60 -0.38 4.18 2.35 -0.84 -0.90 115.58 120.59 1xz4 h ASN 9 Ca 0.04 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 1xz4 h ASN 9 Cb 0.26 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1xz4 h ASN 9 CO 0.00 0.41 0.08 0.58 -1.65 0.00 0.00 177.43 176.85 1xz4 h VAL 10 N 0.73 1.23 -0.76 2.81 2.07 -1.29 -1.61 116.25 119.43 1xz4 h VAL 10 Ca 0.26 -0.81 0.01 0.00 0.82 0.00 0.00 66.70 66.98 1xz4 h VAL 10 Cb 0.06 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 1xz4 h VAL 10 CO -0.12 0.28 0.50 0.11 0.02 0.00 0.00 177.57 178.36 1xz4 h LYS 11 N 0.46 1.01 -0.07 1.57 1.57 -1.12 -0.48 116.57 119.51 1xz4 h LYS 11 Ca 0.12 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1xz4 h LYS 11 Cb 0.33 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1xz4 h LYS 11 CO 0.00 0.67 0.00 0.00 -0.57 0.00 0.00 179.45 179.56 1xz4 h ALA 12 N 1.28 0.10 -0.39 3.86 0.00 -1.08 -2.17 119.26 120.84 1xz4 h ALA 12 Ca 0.28 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1xz4 h ALA 12 Cb -0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1xz4 h ALA 12 CO -0.06 -0.24 0.23 0.00 0.00 0.00 0.00 179.25 179.18 1xz4 h ALA 13 N 0.74 0.50 0.00 0.00 0.00 -1.18 -2.58 119.26 116.74 1xz4 h ALA 13 Ca 0.02 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1xz4 h ALA 13 Cb 0.32 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1xz4 h ALA 13 CO 0.00 -0.10 -0.47 2.35 0.00 0.00 0.00 179.25 181.03 1xz4 h TRP 14 N 0.47 0.00 -0.69 0.00 2.91 -1.13 -2.35 115.95 115.16 1xz4 h TRP 14 Ca 0.16 0.00 -0.07 0.00 1.13 0.00 0.00 58.89 60.11 1xz4 h TRP 14 Cb 0.01 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 28.63 1xz4 h TRP 14 CO -0.07 0.47 0.17 0.78 -1.03 0.00 0.00 178.44 178.76 1xz4 h GLY 15 N 1.43 1.19 1.59 2.65 0.00 -1.20 -1.61 103.07 107.12 1xz4 h GLY 15 Ca -0.00 -0.74 -0.09 0.00 0.00 0.00 0.00 47.33 46.50 1xz4 h GLY 15 CO 0.06 0.69 -0.21 1.70 0.00 0.00 0.00 176.54 178.78 1xz4 h LYS 16 N 1.05 0.48 -0.37 4.80 3.11 -1.04 -2.12 116.57 122.48 1xz4 h LYS 16 Ca 0.22 -0.16 -0.00 0.00 -2.81 0.00 0.00 60.65 57.89 1xz4 h LYS 16 Cb 0.37 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.54 1xz4 h LYS 16 CO 0.00 0.66 0.23 0.28 -2.81 0.00 0.00 179.45 177.81 1xz4 h VAL 17 N 0.43 1.12 0.00 2.00 2.07 -0.91 -3.45 116.25 117.51 1xz4 h VAL 17 Ca 0.07 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1xz4 h VAL 17 Cb 0.60 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1xz4 h VAL 17 CO 0.04 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.36 1xz4 n GLY 18 N -1.10 2.42 0.00 2.17 0.00 -0.68 -1.58 105.19 106.42 1xz4 n GLY 18 Ca -0.00 0.26 0.07 0.00 0.00 0.00 0.00 46.02 46.35 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 9.88 1.74 1.24 4.61 0.00 -1.26 -2.23 120.51 134.50 1xz4 n ALA 19 Ca 0.00 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.50 1xz4 n ALA 19 Cb 0.00 -1.23 0.40 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.38 0.13 -0.22 0.00 -0.00 -0.62 -4.49 115.22 108.64 1xz4 n HIS 20 Ca 0.05 -0.06 -0.02 0.00 -0.00 0.00 0.00 57.72 57.69 1xz4 n HIS 20 Cb 0.14 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.18 1xz4 n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1xz4 h ALA 21 N 4.27 0.25 -0.63 -1.41 0.00 -1.56 -0.33 119.26 119.85 1xz4 h ALA 21 Ca 0.00 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1xz4 h ALA 21 Cb 0.58 0.63 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1xz4 h ALA 21 CO 0.00 -0.52 0.32 0.78 0.00 0.00 0.00 179.25 179.82 1xz4 h GLY 22 N -0.07 0.96 1.02 0.00 0.00 -1.84 -1.16 103.07 101.98 1xz4 h GLY 22 Ca 0.29 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 1xz4 h GLY 22 CO -0.70 0.44 0.50 -2.09 0.00 0.00 0.00 176.54 174.69 1xz4 h GLU 23 N 0.86 1.18 -0.21 4.80 4.81 -1.63 -2.29 114.58 122.09 1xz4 h GLU 23 Ca 0.22 -0.12 -0.14 0.00 -0.13 0.00 0.00 59.36 59.19 1xz4 h GLU 23 Cb 0.09 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1xz4 h GLU 23 CO -0.03 0.84 -0.45 1.88 -0.73 0.00 0.00 179.01 180.53 1xz4 h TYR 24 N 1.18 0.64 -0.73 0.92 0.99 -0.69 -2.31 116.97 116.97 1xz4 h TYR 24 Ca 0.30 -0.20 -0.03 0.00 2.00 0.00 0.00 58.73 60.81 1xz4 h TYR 24 Cb -0.02 -0.13 -0.03 0.00 1.00 0.00 0.00 36.73 37.55 1xz4 h TYR 24 CO 0.00 0.88 0.36 0.78 -0.00 0.00 0.00 178.16 180.18 1xz4 h GLY 25 N 1.08 1.13 1.08 3.88 0.00 -0.91 -1.24 103.07 108.09 1xz4 h GLY 25 Ca 0.03 -0.56 -0.12 0.00 0.00 0.00 0.00 47.33 46.69 1xz4 h GLY 25 CO 0.08 0.53 -0.16 0.00 0.00 0.00 0.00 176.54 176.99 1xz4 h ALA 26 N 1.18 0.66 -0.55 3.60 0.00 -1.28 -2.38 119.26 120.49 1xz4 h ALA 26 Ca 0.25 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1xz4 h ALA 26 Cb 0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1xz4 h ALA 26 CO -0.03 0.61 0.36 1.49 0.00 0.00 0.00 179.25 181.68 1xz4 h GLU 27 N 0.81 0.73 -0.82 0.00 4.81 -1.22 -1.40 114.58 117.48 1xz4 h GLU 27 Ca 0.11 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1xz4 h GLU 27 Cb 0.73 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.91 1xz4 h GLU 27 CO 0.06 0.48 0.54 0.00 -0.73 0.00 0.00 179.01 179.36 1xz4 h ALA 28 N 1.20 1.04 -0.74 2.92 0.00 -1.03 -0.05 119.26 122.60 1xz4 h ALA 28 Ca 0.20 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1xz4 h ALA 28 Cb -0.08 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.35 1xz4 h ALA 28 CO -0.04 0.43 0.24 -0.07 0.00 0.00 0.00 179.25 179.81 1xz4 h LEU 29 N 1.10 1.07 -0.48 0.00 3.38 -0.97 -0.80 115.31 118.61 1xz4 h LEU 29 Ca 0.30 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 1xz4 h LEU 29 Cb -0.11 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.34 1xz4 h LEU 29 CO -0.07 0.99 -0.18 -0.08 0.09 0.00 0.00 178.44 179.19 1xz4 h GLU 30 N 1.09 0.97 -0.41 1.13 4.81 -0.79 0.04 114.58 121.42 1xz4 h GLU 30 Ca 0.24 -0.40 0.04 0.00 -0.13 0.00 0.00 59.36 59.11 1xz4 h GLU 30 Cb 0.29 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 1xz4 h GLU 30 CO -0.01 1.07 0.17 0.00 -0.73 0.00 0.00 179.01 179.51 1xz4 h ARG 31 N 0.82 0.34 0.06 1.92 3.08 -0.80 -2.48 114.38 117.33 1xz4 h ARG 31 Ca 0.11 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.16 1xz4 h ARG 31 Cb 0.75 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 1xz4 h ARG 31 CO 0.06 0.23 -0.16 1.98 -1.07 0.00 0.00 179.97 181.01 1xz4 h MET 32 N 0.35 -0.28 -0.65 0.04 4.05 -0.68 -0.98 114.93 116.78 1xz4 h MET 32 Ca 0.19 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.61 1xz4 h MET 32 Cb 0.14 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.98 1xz4 h MET 32 CO -0.17 -0.19 0.36 0.74 0.23 0.00 0.00 176.91 177.88 1xz4 h PHE 33 N -0.30 0.87 0.10 1.39 0.04 -0.92 0.17 116.94 118.30 1xz4 h PHE 33 Ca 0.03 -0.01 -0.28 0.00 2.80 0.00 0.00 57.97 60.51 1xz4 h PHE 33 Cb 0.33 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 1xz4 h PHE 33 CO -0.18 0.60 -1.40 -0.07 -0.60 0.00 0.00 178.31 176.66 1xz4 h LEU 34 N 0.90 0.32 0.12 1.54 3.38 -1.41 -3.26 115.31 116.90 1xz4 h LEU 34 Ca 0.23 -0.41 -0.27 0.00 0.09 0.00 0.00 57.88 57.51 1xz4 h LEU 34 Cb 0.02 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1xz4 h LEU 34 CO -0.04 1.34 -1.24 0.28 0.09 0.00 0.00 178.44 178.87 1xz4 h SER 35 N 0.06 0.41 -2.68 -0.43 0.02 -1.10 -3.41 113.55 106.41 1xz4 h SER 35 Ca -0.19 -0.44 -0.60 0.00 -0.84 0.00 0.00 61.79 59.72 1xz4 h SER 35 Cb 1.97 -0.13 -0.40 0.00 0.14 0.00 0.00 62.40 63.98 1xz4 h SER 35 CO 0.16 1.34 -0.79 0.49 -1.14 0.00 0.00 176.83 176.90 1xz4 n PHE 36 N -3.52 1.11 0.31 3.45 3.01 0.60 -5.00 117.46 117.42 1xz4 n PHE 36 Ca -0.08 -3.79 0.19 0.00 1.01 0.00 0.00 57.45 54.77 1xz4 n PHE 36 Cb 1.02 -0.17 1.04 0.00 -0.01 0.00 0.00 39.48 41.36 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 5.45 0.00 0.00 -1.08 0.11 -1.74 -1.22 132.00 133.51 1xz4 h PRO 37 Ca 0.21 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.30 1xz4 h PRO 37 Cb 0.83 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 1xz4 h PRO 37 CO 0.54 0.01 -0.09 1.79 -0.21 0.00 0.00 178.00 180.05 1xz4 h THR 38 N 0.00 0.73 0.00 -1.15 1.35 -1.92 -1.96 112.91 109.96 1xz4 h THR 38 Ca -0.00 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1xz4 h THR 38 Cb 0.08 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 1xz4 h THR 38 CO 0.00 0.08 0.00 0.71 -0.25 0.00 0.00 175.52 176.07 1xz4 h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.55 -1.99 112.91 117.54 1xz4 h THR 39 Ca -0.00 -0.13 -0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1xz4 h THR 39 Cb 0.19 1.10 -0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1xz4 h THR 39 CO 0.01 0.00 -0.00 0.11 -0.25 0.00 0.00 175.52 175.39 1xz4 h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.54 -2.63 116.57 118.69 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 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1xz4 h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1xz4 h THR 41 N 0.00 0.00 -0.00 -0.16 1.35 -1.55 -0.82 112.91 111.73 1xz4 h THR 41 Ca -0.00 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1xz4 h THR 41 Cb 0.31 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1xz4 h THR 41 CO 0.00 0.00 -0.06 0.00 -0.25 0.00 0.00 175.52 175.21 1xz4 n ALA 42 N -1.83 2.48 -3.02 6.62 0.00 -0.99 -4.37 120.51 119.39 1xz4 n ALA 42 Ca 0.02 -0.13 -0.22 0.00 0.00 0.00 0.00 53.44 53.11 1xz4 n ALA 42 Cb 0.24 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 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 -1.49 1.98 0.34 0.00 3.01 -0.31 -4.93 117.46 116.06 1xz4 n PHE 43 Ca 0.07 -3.80 0.15 0.00 1.01 0.00 0.00 57.45 54.88 1xz4 n PHE 43 Cb 0.34 -0.43 0.56 0.00 -0.01 0.00 0.00 39.48 39.94 1xz4 n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1xz4 h PRO 44 N 2.97 0.00 -0.01 -1.08 0.13 -1.76 -2.74 132.00 129.51 1xz4 h PRO 44 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1xz4 h PRO 44 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1xz4 h PRO 44 CO 0.65 0.00 -0.17 -2.39 -0.23 0.00 0.00 178.00 175.86 1xz4 n HIS 45 N -2.73 0.00 -3.18 1.56 1.44 -1.26 -4.95 115.22 106.10 1xz4 n HIS 45 Ca 0.02 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.43 1xz4 n HIS 45 Cb 0.30 -0.09 -0.04 0.00 0.12 0.00 0.00 29.99 30.29 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 -2.34 3.46 -0.31 -1.40 2.99 -1.04 -5.06 117.98 114.29 1xz4 s PHE 46 Ca 0.29 0.84 -0.21 0.00 0.00 0.00 0.00 56.93 57.86 1xz4 s PHE 46 Cb 0.20 -2.26 -0.01 0.00 0.00 0.00 0.00 43.02 40.95 1xz4 s PHE 46 CO 0.46 0.09 0.65 0.34 -0.00 0.00 0.00 175.22 176.76 1xz4 s ASP 47 N -2.97 6.52 0.00 1.36 2.15 -1.26 -4.95 116.67 117.51 1xz4 s ASP 47 Ca 0.47 0.45 0.18 0.00 0.43 0.00 0.00 52.55 54.09 1xz4 s ASP 47 Cb -0.11 -2.34 0.35 0.00 -0.30 0.00 0.00 42.92 40.53 1xz4 s ASP 47 CO 0.28 -0.50 1.28 0.18 -0.17 0.00 0.00 175.17 176.25 1xz4 n LEU 48 N 5.92 3.13 -4.74 -1.34 4.77 -1.26 -4.36 117.00 119.12 1xz4 n LEU 48 Ca -0.00 -1.56 -0.31 0.00 -0.03 0.00 0.00 56.01 54.11 1xz4 n LEU 48 Cb 0.49 -0.22 0.12 0.00 -2.33 0.00 0.00 43.42 41.47 1xz4 n LEU 48 CO 0.46 0.70 0.69 -0.94 -1.33 0.00 0.00 177.39 176.97 1xz4 s SER 49 N -1.25 3.96 0.19 -1.43 1.04 -1.26 -4.86 113.70 110.10 1xz4 s SER 49 Ca 0.32 1.91 -0.33 0.00 0.48 0.00 0.00 55.95 58.33 1xz4 s SER 49 Cb 0.18 -2.52 -0.13 0.00 0.10 0.00 0.00 66.02 63.65 1xz4 s SER 49 CO 0.25 -2.40 1.55 1.57 0.98 0.00 0.00 173.24 175.20 1xz4 n HIS 50 N -3.76 2.33 -0.98 5.02 -0.00 -1.26 -1.78 115.22 114.79 1xz4 n HIS 50 Ca 0.10 0.29 0.00 0.00 0.46 0.00 0.00 57.72 58.56 1xz4 n HIS 50 Cb 0.53 -2.54 0.00 0.00 -0.12 0.00 0.00 29.99 27.86 1xz4 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1xz4 n GLY 51 N 3.09 0.69 3.68 1.57 0.00 -1.26 -5.01 105.19 107.95 1xz4 n GLY 51 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1xz4 n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xz4 n SER 52 N -0.04 1.75 -0.20 1.61 3.41 -0.73 -4.82 113.62 114.58 1xz4 n SER 52 Ca 0.00 0.88 -0.02 0.00 -0.26 0.00 0.00 58.87 59.47 1xz4 n SER 52 Cb 0.02 -1.49 0.18 0.00 -0.26 0.00 0.00 64.21 62.66 1xz4 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xz4 h ALA 53 N 0.85 1.28 -0.40 7.33 0.00 -1.91 -1.20 119.26 125.21 1xz4 h ALA 53 Ca -0.50 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.20 1xz4 h ALA 53 Cb 1.34 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1xz4 h ALA 53 CO 0.54 0.56 -0.03 1.96 0.00 0.00 0.00 179.25 182.27 1xz4 h GLN 54 N 0.97 0.73 -0.35 0.00 4.20 -1.91 0.05 115.11 118.81 1xz4 h GLN 54 Ca 0.24 -0.25 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 1xz4 h GLN 54 Cb 0.11 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1xz4 h GLN 54 CO -0.03 0.84 -0.05 0.28 -0.67 0.00 0.00 178.83 179.20 1xz4 h VAL 55 N 0.56 1.27 -0.61 -0.54 2.07 -1.72 -0.63 116.25 116.65 1xz4 h VAL 55 Ca 0.11 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 1xz4 h VAL 55 Cb 0.52 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1xz4 h VAL 55 CO 0.03 0.35 0.33 0.11 0.02 0.00 0.00 177.57 178.41 1xz4 h LYS 56 N 0.44 0.85 -0.55 1.57 1.57 -1.09 0.01 116.57 119.37 1xz4 h LYS 56 Ca 0.09 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 1xz4 h LYS 56 Cb 0.53 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1xz4 h LYS 56 CO 0.03 0.65 -0.06 0.78 -0.57 0.00 0.00 179.45 180.28 1xz4 h GLY 57 N 0.83 1.08 1.47 3.86 0.00 -0.85 -2.78 103.07 106.69 1xz4 h GLY 57 Ca 0.21 -0.82 -0.16 0.00 0.00 0.00 0.00 47.33 46.56 1xz4 h GLY 57 CO -0.03 0.76 -0.54 0.84 0.00 0.00 0.00 176.54 177.57 1xz4 h HIS 58 N 0.90 0.70 -0.29 5.60 -0.00 -0.86 -2.83 115.15 118.36 1xz4 h HIS 58 Ca 0.15 -0.24 -0.03 0.00 -0.00 0.00 0.00 60.37 60.25 1xz4 h HIS 58 Cb 0.60 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 27.86 1xz4 h HIS 58 CO 0.04 0.97 0.04 0.78 -0.00 0.00 0.00 177.93 179.76 1xz4 h GLY 59 N 1.06 0.46 1.04 5.26 0.00 -0.88 -0.91 103.07 109.10 1xz4 h GLY 59 Ca 0.01 -0.24 -0.14 0.00 0.00 0.00 0.00 47.33 46.96 1xz4 h GLY 59 CO 0.10 0.23 -0.32 1.70 0.00 0.00 0.00 176.54 178.25 1xz4 h LYS 60 N 0.43 0.80 -0.26 4.80 3.11 -1.30 -1.99 116.57 122.15 1xz4 h LYS 60 Ca 0.10 -0.42 -0.02 0.00 -2.81 0.00 0.00 60.65 57.50 1xz4 h LYS 60 Cb 0.22 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.45 1xz4 h LYS 60 CO 0.00 1.05 0.10 0.87 -2.81 0.00 0.00 179.45 178.66 1xz4 h LYS 61 N 0.58 0.40 -0.39 1.90 1.57 -1.22 0.75 116.57 120.16 1xz4 h LYS 61 Ca 0.05 -0.08 0.07 0.00 -1.87 0.00 0.00 60.65 58.82 1xz4 h LYS 61 Cb 0.90 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.09 1xz4 h LYS 61 CO 0.08 0.45 0.04 0.28 -0.57 0.00 0.00 179.45 179.72 1xz4 h VAL 62 N 0.27 0.75 -0.47 0.50 2.07 -1.20 -1.83 116.25 116.34 1xz4 h VAL 62 Ca 0.09 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.49 1xz4 h VAL 62 Cb 0.20 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1xz4 h VAL 62 CO -0.01 0.03 0.04 0.00 0.02 0.00 0.00 177.57 177.65 1xz4 h ALA 63 N 1.32 0.63 -0.82 1.67 0.00 -0.87 -2.12 119.26 119.07 1xz4 h ALA 63 Ca 0.19 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1xz4 h ALA 63 Cb 0.25 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1xz4 h ALA 63 CO -0.28 0.39 0.50 -0.44 0.00 0.00 0.00 179.25 179.42 1xz4 h ASP 64 N 0.67 0.77 -0.57 0.00 3.32 -0.72 0.02 116.42 119.91 1xz4 h ASP 64 Ca 0.14 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 1xz4 h ASP 64 Cb 0.45 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1xz4 h ASP 64 CO 0.02 0.49 0.07 0.00 -1.72 0.00 0.00 179.24 178.10 1xz4 h ALA 65 N 1.40 0.75 -0.68 3.45 0.00 -0.97 -1.41 119.26 121.81 1xz4 h ALA 65 Ca 0.37 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1xz4 h ALA 65 Cb 0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1xz4 h ALA 65 CO -0.18 0.52 0.25 -0.07 0.00 0.00 0.00 179.25 179.76 1xz4 h LEU 66 N 0.84 0.93 -0.79 0.00 3.38 -0.81 -0.52 115.31 118.33 1xz4 h LEU 66 Ca 0.17 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1xz4 h LEU 66 Cb 0.44 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1xz4 h LEU 66 CO 0.01 0.84 0.34 0.74 0.09 0.00 0.00 178.44 180.47 1xz4 h THR 67 N 0.98 1.26 -0.64 0.22 2.02 -0.49 -0.41 112.91 115.86 1xz4 h THR 67 Ca 0.23 -0.77 -0.08 0.00 0.77 0.00 0.00 66.41 66.55 1xz4 h THR 67 Cb 0.22 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 1xz4 h THR 67 CO -0.02 0.32 0.09 -1.13 0.37 0.00 0.00 175.52 175.16 1xz4 h ASN 68 N 1.14 1.02 -0.59 4.18 -1.24 -0.88 -2.26 115.58 116.95 1xz4 h ASN 68 Ca 0.27 -0.24 -0.04 0.00 0.71 0.00 0.00 56.30 56.99 1xz4 h ASN 68 Cb 0.18 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 38.93 1xz4 h ASN 68 CO -0.03 1.02 0.20 0.00 -1.29 0.00 0.00 177.43 177.33 1xz4 h ALA 69 N 1.10 0.76 -0.42 1.57 0.00 -0.49 -1.40 119.26 120.38 1xz4 h ALA 69 Ca 0.20 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1xz4 h ALA 69 Cb 0.44 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1xz4 h ALA 69 CO 0.01 0.41 0.25 0.28 0.00 0.00 0.00 179.25 180.20 1xz4 h VAL 70 N 0.82 1.05 0.00 0.00 2.07 -0.88 -1.18 116.25 118.13 1xz4 h VAL 70 Ca 0.19 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1xz4 h VAL 70 Cb 0.25 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1xz4 h VAL 70 CO -0.01 0.09 0.00 0.00 0.02 0.00 0.00 177.57 177.67 1xz4 h ALA 71 N 1.18 1.00 -0.61 1.67 0.00 -1.01 -2.94 119.26 118.56 1xz4 h ALA 71 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.64 1xz4 h ALA 71 Cb 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.41 1xz4 h ALA 71 CO -0.07 0.00 -0.86 0.72 0.00 0.00 0.00 179.25 179.04 1xz4 n HIS 72 N -2.99 2.16 -0.04 0.00 8.25 -0.57 -4.86 115.22 117.18 1xz4 n HIS 72 Ca -0.01 -2.11 0.12 0.00 -0.26 0.00 0.00 57.72 55.46 1xz4 n HIS 72 Cb 0.16 -0.31 0.53 0.00 1.12 0.00 0.00 29.99 31.49 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 2.90 0.90 -0.01 1.59 3.04 -1.05 0.27 116.25 123.88 1xz4 h VAL 73 Ca 0.22 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.80 1xz4 h VAL 73 Cb 1.45 0.53 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 1xz4 h VAL 73 CO 0.57 0.06 -0.08 0.47 -1.01 0.00 0.00 177.57 177.58 1xz4 n ASP 74 N -4.47 1.18 -3.04 3.17 8.00 -1.26 -4.20 116.55 115.93 1xz4 n ASP 74 Ca 0.08 -1.22 -0.15 0.00 0.71 0.00 0.00 54.79 54.21 1xz4 n ASP 74 Cb 0.35 0.03 0.01 0.00 -0.02 0.00 0.00 41.12 41.49 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 -0.22 -0.13 0.07 -2.24 2.03 0.91 -4.99 116.55 111.98 1xz4 n ASP 75 Ca 0.17 -3.22 -0.23 0.00 0.52 0.00 0.00 54.79 52.04 1xz4 n ASP 75 Cb 0.33 0.16 -0.15 0.00 -0.72 0.00 0.00 41.12 40.74 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 3.00 0.39 -0.71 -0.67 2.86 -1.60 -2.93 114.93 115.26 1xz4 h MET 76 Ca 0.04 -0.67 0.08 0.00 -2.06 0.00 0.00 59.70 57.08 1xz4 h MET 76 Cb 1.01 0.25 -0.05 0.00 0.06 0.00 0.00 31.60 32.88 1xz4 h MET 76 CO 0.39 1.32 0.47 -1.35 1.06 0.00 0.00 176.91 178.79 1xz4 h PRO 77 N 0.11 0.64 0.08 -0.22 0.11 -1.94 0.50 132.00 131.28 1xz4 h PRO 77 Ca -0.34 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 65.57 1xz4 h PRO 77 Cb 2.10 -0.15 0.02 0.00 0.11 0.00 0.00 31.00 33.08 1xz4 h PRO 77 CO 0.18 0.43 -0.67 -0.97 -0.21 0.00 0.00 178.00 176.76 1xz4 h ASN 78 N 0.66 0.44 -0.39 -2.05 -1.24 -1.97 -2.86 115.58 108.17 1xz4 h ASN 78 Ca 0.32 -0.89 0.02 0.00 0.71 0.00 0.00 56.30 56.46 1xz4 h ASN 78 Cb 0.38 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.27 1xz4 h ASN 78 CO -0.11 1.29 0.26 0.00 -1.29 0.00 0.00 177.43 177.58 1xz4 h ALA 79 N 0.16 1.82 -0.43 1.57 0.00 -1.26 -2.21 119.26 118.91 1xz4 h ALA 79 Ca -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1xz4 h ALA 79 Cb 1.47 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1xz4 h ALA 79 CO 0.13 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.79 1xz4 n LEU 80 N -4.48 4.79 -0.14 0.00 4.77 0.13 -4.71 117.00 117.36 1xz4 n LEU 80 Ca 0.04 -2.93 -0.03 0.00 -0.03 0.00 0.00 56.01 53.05 1xz4 n LEU 80 Cb 0.13 -0.61 0.05 0.00 -2.33 0.00 0.00 43.42 40.66 1xz4 n LEU 80 CO 0.35 0.66 0.85 -1.28 -1.33 0.00 0.00 177.39 176.64 1xz4 h SER 81 N 2.95 -0.18 -0.12 -1.43 0.87 -1.15 -0.98 113.55 113.51 1xz4 h SER 81 Ca 0.00 0.11 -0.09 0.00 -1.23 0.00 0.00 61.79 60.57 1xz4 h SER 81 Cb 1.69 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 63.82 1xz4 h SER 81 CO 0.35 -0.05 -0.21 0.00 -0.53 0.00 0.00 176.83 176.38 1xz4 h ALA 82 N 1.40 1.10 -0.05 6.23 0.00 -1.84 -2.13 119.26 123.97 1xz4 h ALA 82 Ca 0.23 -0.33 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 1xz4 h ALA 82 Cb 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1xz4 h ALA 82 CO -0.37 0.55 -0.84 -0.07 0.00 0.00 0.00 179.25 178.52 1xz4 h LEU 83 N 0.48 0.59 -0.70 0.00 3.38 -1.79 -1.40 115.31 115.87 1xz4 h LEU 83 Ca 0.07 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 1xz4 h LEU 83 Cb 0.63 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1xz4 h LEU 83 CO 0.04 1.20 0.29 0.28 0.09 0.00 0.00 178.44 180.34 1xz4 h SER 84 N 0.30 0.95 0.30 -0.43 0.02 -1.03 -1.45 113.55 112.21 1xz4 h SER 84 Ca -0.06 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 1xz4 h SER 84 Cb 1.45 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1xz4 h SER 84 CO 0.15 0.86 -0.14 -0.78 -1.14 0.00 0.00 176.83 175.78 1xz4 h ASP 85 N 0.99 -0.34 -0.35 3.07 3.58 -1.30 -1.43 116.42 120.64 1xz4 h ASP 85 Ca 0.23 -0.07 0.04 0.00 0.42 0.00 0.00 57.03 57.66 1xz4 h ASP 85 Cb 0.20 0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.29 1xz4 h ASP 85 CO -0.02 -0.14 0.12 0.25 -2.88 0.00 0.00 179.24 176.56 1xz4 h LEU 86 N -0.52 0.12 -0.39 2.28 5.85 -1.17 -0.81 115.31 120.67 1xz4 h LEU 86 Ca -0.04 0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 1xz4 h LEU 86 Cb 0.38 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1xz4 h LEU 86 CO 0.07 0.10 -0.34 0.45 -0.34 0.00 0.00 178.44 178.38 1xz4 h HIS 87 N 0.26 1.09 -0.22 1.25 3.86 -1.26 -0.13 115.15 120.01 1xz4 h HIS 87 Ca 0.16 -0.32 -0.10 0.00 -1.16 0.00 0.00 60.37 58.95 1xz4 h HIS 87 Cb 0.14 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 1xz4 h HIS 87 CO -0.15 1.13 -0.31 0.00 0.86 0.00 0.00 177.93 179.46 1xz4 h ALA 88 N 0.78 1.06 0.00 2.45 0.00 -1.06 0.39 119.26 122.88 1xz4 h ALA 88 Ca 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1xz4 h ALA 88 Cb 0.93 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1xz4 h ALA 88 CO 0.09 0.58 -0.75 0.72 0.00 0.00 0.00 179.25 179.89 1xz4 n HIS 89 N -4.09 0.00 0.04 0.00 8.25 -0.33 -4.61 115.22 114.49 1xz4 n HIS 89 Ca -0.01 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1xz4 n HIS 89 Cb 0.44 -0.02 -0.00 0.00 1.12 0.00 0.00 29.99 31.53 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 -1.38 0.03 0.12 -0.41 4.81 -0.33 -4.87 118.16 116.12 1xz4 n LYS 90 Ca -0.00 0.01 -0.13 0.00 -0.87 0.00 0.00 58.31 57.32 1xz4 n LYS 90 Cb 0.03 -0.50 -0.08 0.00 0.02 0.00 0.00 35.03 34.49 1xz4 n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1xz4 h LEU 91 N -0.05 -0.25 0.31 3.14 3.38 -1.19 -3.48 115.31 117.18 1xz4 h LEU 91 Ca 0.00 -0.19 -0.41 0.00 0.09 0.00 0.00 57.88 57.37 1xz4 h LEU 91 Cb 0.05 0.06 0.06 0.00 0.09 0.00 0.00 40.66 40.93 1xz4 h LEU 91 CO 0.00 0.07 -0.64 0.54 0.09 0.00 0.00 178.44 178.50 1xz4 n ARG 92 N -5.09 -5.69 -1.74 1.13 3.00 0.14 -4.99 116.66 103.43 1xz4 n ARG 92 Ca -0.09 0.83 -0.42 0.00 -0.01 0.00 0.00 57.85 58.16 1xz4 n ARG 92 Cb 0.23 -5.74 -0.01 0.00 0.00 0.00 0.00 32.46 26.94 1xz4 n ARG 92 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1xz4 n VAL 93 N -4.62 1.39 -1.74 1.55 0.31 -1.26 -4.91 118.33 109.05 1xz4 n VAL 93 Ca -0.06 -0.35 -0.40 0.00 -0.01 0.00 0.00 64.34 63.52 1xz4 n VAL 93 Cb 0.59 -1.84 0.01 0.00 -0.91 0.00 0.00 33.84 31.69 1xz4 n VAL 93 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1xz4 n ASP 94 N 1.54 3.01 0.06 4.52 2.03 -1.26 -4.86 116.55 121.59 1xz4 n ASP 94 Ca 0.07 1.12 0.21 0.00 0.52 0.00 0.00 54.79 56.70 1xz4 n ASP 94 Cb 0.36 -1.56 0.74 0.00 -0.72 0.00 0.00 41.12 39.94 1xz4 n ASP 94 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1xz4 h PRO 95 N 2.24 0.00 0.00 -0.67 0.11 -2.00 -2.73 132.00 128.94 1xz4 h PRO 95 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1xz4 h PRO 95 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1xz4 h PRO 95 CO 0.61 0.00 -0.05 -0.39 -0.21 0.00 0.00 178.00 177.96 1xz4 h VAL 96 N 0.00 0.20 0.00 3.15 -1.51 -2.03 -2.57 116.25 113.50 1xz4 h VAL 96 Ca 0.21 -0.38 -0.06 0.00 -1.23 0.00 0.00 66.70 65.24 1xz4 h VAL 96 Cb 1.03 1.31 -0.01 0.00 -2.13 0.00 0.00 31.29 31.49 1xz4 h VAL 96 CO -0.00 0.04 -0.31 0.78 -1.23 0.00 0.00 177.57 176.86 1xz4 h ASN 97 N 0.00 0.00 -0.57 4.19 2.35 -1.85 -3.18 115.58 116.52 1xz4 h ASN 97 Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1xz4 h ASN 97 Cb 0.30 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 1xz4 h ASN 97 CO 0.01 0.31 0.31 -0.26 -1.65 0.00 0.00 177.43 176.14 1xz4 h PHE 98 N 0.00 0.81 0.00 1.19 0.04 -1.66 -0.91 116.94 116.40 1xz4 h PHE 98 Ca -0.00 -0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.70 1xz4 h PHE 98 Cb 0.84 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.72 1xz4 h PHE 98 CO 0.00 0.58 -0.27 1.57 -0.60 0.00 0.00 178.31 179.59 1xz4 h LYS 99 N 0.83 0.00 -0.05 1.51 2.10 -1.72 -0.35 116.57 118.89 1xz4 h LYS 99 Ca 0.21 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.69 1xz4 h LYS 99 Cb 0.05 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.39 1xz4 h LYS 99 CO -0.03 0.27 -0.65 -0.07 -2.00 0.00 0.00 179.45 176.97 1xz4 h LEU 100 N 0.00 0.65 -0.76 7.07 3.38 -1.32 -1.90 115.31 122.43 1xz4 h LEU 100 Ca -0.00 -0.70 -0.13 0.00 0.09 0.00 0.00 57.88 57.14 1xz4 h LEU 100 Cb 0.80 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1xz4 h LEU 100 CO 0.03 1.26 -0.42 0.25 0.09 0.00 0.00 178.44 179.65 1xz4 h LEU 101 N 0.10 0.45 -0.39 1.67 5.85 -1.14 -2.53 115.31 119.32 1xz4 h LEU 101 Ca -0.07 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.46 1xz4 h LEU 101 Cb 1.32 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 1xz4 h LEU 101 CO 0.13 0.83 0.25 0.28 -0.34 0.00 0.00 178.44 179.59 1xz4 h SER 102 N 0.35 0.43 -0.73 1.25 0.02 -0.98 -1.24 113.55 112.64 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 0.89 -0.10 -0.07 0.00 0.14 0.00 0.00 62.40 63.26 1xz4 h SER 102 CO 0.08 0.31 0.36 -0.74 -1.14 0.00 0.00 176.83 175.69 1xz4 h HIS 103 N 0.51 0.65 -0.31 3.45 -0.00 -1.26 -1.65 115.15 116.54 1xz4 h HIS 103 Ca 0.15 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.46 1xz4 h HIS 103 Cb -0.04 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.17 1xz4 h HIS 103 CO -0.06 0.22 -0.19 0.00 -0.00 0.00 0.00 177.93 177.90 1xz4 h LEU 105 N 0.52 0.99 -0.47 0.00 3.38 -0.99 -1.28 115.31 117.45 1xz4 h LEU 105 Ca 0.08 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 1xz4 h LEU 105 Cb 0.62 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1xz4 h LEU 105 CO 0.04 0.92 -0.08 -0.07 0.09 0.00 0.00 178.44 179.34 1xz4 h LEU 106 N 1.00 0.89 -0.44 1.67 3.38 -0.57 -0.73 115.31 120.51 1xz4 h LEU 106 Ca 0.23 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1xz4 h LEU 106 Cb 0.26 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1xz4 h LEU 106 CO -0.01 1.03 0.25 0.58 0.09 0.00 0.00 178.44 180.38 1xz4 h VAL 107 N 0.73 1.15 -0.19 1.22 2.07 -1.08 0.64 116.25 120.80 1xz4 h VAL 107 Ca 0.12 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1xz4 h VAL 107 Cb 0.62 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1xz4 h VAL 107 CO 0.04 0.16 0.11 0.74 0.02 0.00 0.00 177.57 178.64 1xz4 h THR 108 N 0.58 1.08 -0.83 2.57 2.02 -1.01 -0.88 112.91 116.43 1xz4 h THR 108 Ca 0.16 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 1xz4 h THR 108 Cb 0.03 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 1xz4 h THR 108 CO -0.03 0.07 0.52 -0.07 0.37 0.00 0.00 175.52 176.38 1xz4 h LEU 109 N 0.22 0.99 -0.54 2.58 3.38 -0.77 -1.95 115.31 119.23 1xz4 h LEU 109 Ca 0.07 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1xz4 h LEU 109 Cb 0.02 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 1xz4 h LEU 109 CO -0.01 0.75 0.26 0.00 0.09 0.00 0.00 178.44 179.53 1xz4 h ALA 110 N 1.28 0.69 0.00 1.53 0.00 -0.54 -0.78 119.26 121.43 1xz4 h ALA 110 Ca 0.30 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1xz4 h ALA 110 Cb -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1xz4 h ALA 110 CO -0.06 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.09 1xz4 h ALA 111 N 1.30 1.00 0.00 0.00 0.00 -0.42 -3.22 119.26 117.93 1xz4 h ALA 111 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1xz4 h ALA 111 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xz4 h ALA 111 CO -0.18 0.00 -1.16 0.72 0.00 0.00 0.00 179.25 178.63 1xz4 n HIS 112 N -2.71 0.00 -3.42 0.00 -0.00 -0.88 -4.83 115.22 103.38 1xz4 n HIS 112 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.46 1xz4 n HIS 112 Cb 0.22 -0.16 -0.08 0.00 -0.00 0.00 0.00 29.99 29.96 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 -1.67 3.41 -0.24 2.41 4.77 -0.35 -4.97 117.00 120.37 1xz4 n LEU 113 Ca -0.01 -5.37 0.04 0.00 -0.03 0.00 0.00 56.01 50.64 1xz4 n LEU 113 Cb 0.24 -0.55 0.16 0.00 -2.33 0.00 0.00 43.42 40.94 1xz4 n LEU 113 CO 0.22 2.05 0.97 -0.65 -1.33 0.00 0.00 177.39 178.65 1xz4 h PRO 114 N 4.21 0.34 0.09 3.23 0.11 -1.86 -2.54 132.00 135.58 1xz4 h PRO 114 Ca 0.19 -0.02 -0.25 0.00 0.11 0.00 0.00 66.00 66.02 1xz4 h PRO 114 Cb 0.68 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.72 1xz4 h PRO 114 CO 0.80 0.23 -1.14 0.00 -0.21 0.00 0.00 178.00 177.68 1xz4 h ALA 115 N 1.53 0.20 0.00 -0.75 0.00 -1.96 -3.32 119.26 114.96 1xz4 h ALA 115 Ca 0.38 -0.84 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 1xz4 h ALA 115 Cb 0.58 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1xz4 h ALA 115 CO -0.42 0.95 -0.72 0.93 0.00 0.00 0.00 179.25 179.99 1xz4 h GLU 116 N 0.10 0.00 -3.29 0.00 3.07 -1.98 -3.40 114.58 109.09 1xz4 h GLU 116 Ca -0.11 0.00 -0.70 0.00 -0.50 0.00 0.00 59.36 58.05 1xz4 h GLU 116 Cb 1.84 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.72 1xz4 h GLU 116 CO 0.19 0.44 3.25 0.34 -1.40 0.00 0.00 179.01 181.83 1xz4 n PHE 117 N -3.13 2.82 -1.90 4.33 7.35 -0.96 -4.74 117.46 121.23 1xz4 n PHE 117 Ca -0.01 -2.99 -0.30 0.00 -0.76 0.00 0.00 57.45 53.40 1xz4 n PHE 117 Cb 0.75 -2.36 0.06 0.00 0.35 0.00 0.00 39.48 38.28 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 1.79 2.93 0.23 -2.13 -4.23 -1.26 -4.80 115.64 108.17 1xz4 s THR 118 Ca 0.58 0.30 -0.07 0.00 -1.18 0.00 0.00 61.69 61.32 1xz4 s THR 118 Cb 0.16 -3.30 0.18 0.00 1.34 0.00 0.00 72.50 70.88 1xz4 s THR 118 CO -0.07 -0.39 1.80 -0.65 -0.54 0.00 0.00 174.62 174.77 1xz4 h PRO 119 N -0.80 0.67 -0.72 3.99 0.11 -1.99 0.18 132.00 133.44 1xz4 h PRO 119 Ca -0.45 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 1xz4 h PRO 119 Cb 1.28 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1xz4 h PRO 119 CO 0.65 0.44 0.30 0.00 -0.21 0.00 0.00 178.00 179.18 1xz4 h ALA 120 N 1.41 0.93 -0.28 -0.75 0.00 -1.95 -1.73 119.26 116.88 1xz4 h ALA 120 Ca 0.35 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 1xz4 h ALA 120 Cb 0.30 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1xz4 h ALA 120 CO -0.23 0.54 -0.46 0.28 0.00 0.00 0.00 179.25 179.37 1xz4 h VAL 121 N 1.02 1.29 -0.36 0.00 2.07 -1.70 -2.05 116.25 116.53 1xz4 h VAL 121 Ca 0.24 -1.65 0.06 0.00 0.82 0.00 0.00 66.70 66.17 1xz4 h VAL 121 Cb 0.19 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 1xz4 h VAL 121 CO -0.02 0.53 0.04 -0.74 0.02 0.00 0.00 177.57 177.40 1xz4 h HIS 122 N 0.59 0.06 -0.94 1.57 6.17 -0.84 -0.97 115.15 120.80 1xz4 h HIS 122 Ca 0.03 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.14 1xz4 h HIS 122 Cb 1.02 0.03 -0.05 0.00 2.52 0.00 0.00 27.41 30.93 1xz4 h HIS 122 CO 0.05 -0.02 0.60 0.00 0.71 0.00 0.00 177.93 179.28 1xz4 h ALA 123 N 1.29 1.30 -0.22 5.26 0.00 -1.10 -1.29 119.26 124.49 1xz4 h ALA 123 Ca 0.17 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1xz4 h ALA 123 Cb 0.22 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1xz4 h ALA 123 CO -0.25 0.63 -0.25 0.77 0.00 0.00 0.00 179.25 180.15 1xz4 h SER 124 N 1.28 0.60 -0.51 0.00 0.02 -0.71 -1.95 113.55 112.27 1xz4 h SER 124 Ca 0.34 -0.49 0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1xz4 h SER 124 Cb -0.12 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.23 1xz4 h SER 124 CO -0.07 0.97 0.33 -0.07 -1.14 0.00 0.00 176.83 176.84 1xz4 h LEU 125 N 0.24 0.55 -0.58 5.07 3.38 -1.03 -0.37 115.31 122.58 1xz4 h LEU 125 Ca 0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1xz4 h LEU 125 Cb 0.81 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1xz4 h LEU 125 CO 0.06 0.40 0.30 -0.78 0.09 0.00 0.00 178.44 178.51 1xz4 h ASP 126 N 0.66 0.74 -0.61 -0.43 3.58 -1.13 -0.06 116.42 119.18 1xz4 h ASP 126 Ca 0.19 -0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.50 1xz4 h ASP 126 Cb -0.05 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 40.78 1xz4 h ASP 126 CO -0.06 0.64 0.28 0.11 -2.88 0.00 0.00 179.24 177.34 1xz4 h LYS 127 N 0.79 0.89 -0.42 0.28 1.57 -1.16 -1.70 116.57 116.81 1xz4 h LYS 127 Ca 0.20 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1xz4 h LYS 127 Cb 0.08 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1xz4 h LYS 127 CO -0.03 0.73 0.16 0.35 -0.57 0.00 0.00 179.45 180.08 1xz4 h PHE 128 N 0.84 0.64 -0.07 -1.35 3.57 -0.70 -0.78 116.94 119.10 1xz4 h PHE 128 Ca 0.21 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.56 1xz4 h PHE 128 Cb 0.14 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1xz4 h PHE 128 CO 0.00 0.57 -0.37 -0.07 -2.23 0.00 0.00 178.31 176.22 1xz4 h LEU 129 N 0.53 0.14 -0.35 0.59 3.38 -0.91 -1.23 115.31 117.46 1xz4 h LEU 129 Ca 0.14 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.91 1xz4 h LEU 129 Cb 0.21 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1xz4 h LEU 129 CO -0.01 0.51 -0.35 0.00 0.09 0.00 0.00 178.44 178.68 1xz4 h ALA 130 N 1.50 0.52 -0.56 1.53 0.00 -1.10 -2.08 119.26 119.08 1xz4 h ALA 130 Ca 0.01 -0.44 0.04 0.00 0.00 0.00 0.00 54.91 54.52 1xz4 h ALA 130 Cb 0.71 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1xz4 h ALA 130 CO 0.05 0.60 0.31 0.77 0.00 0.00 0.00 179.25 180.98 1xz4 h SER 131 N 0.66 0.48 -0.47 0.00 0.02 -0.73 -0.48 113.55 113.03 1xz4 h SER 131 Ca 0.06 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1xz4 h SER 131 Cb 0.94 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 1xz4 h SER 131 CO 0.09 0.33 0.23 0.58 -1.14 0.00 0.00 176.83 176.92 1xz4 h VAL 132 N 0.61 1.18 -0.97 2.27 2.07 -1.20 -1.86 116.25 118.34 1xz4 h VAL 132 Ca 0.24 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1xz4 h VAL 132 Cb 0.09 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 1xz4 h VAL 132 CO -0.13 0.19 0.61 0.28 0.02 0.00 0.00 177.57 178.54 1xz4 h SER 133 N 0.61 1.14 -0.80 0.57 0.02 -1.17 -0.88 113.55 113.04 1xz4 h SER 133 Ca 0.16 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1xz4 h SER 133 Cb 0.10 -0.29 -0.04 0.00 0.14 0.00 0.00 62.40 62.31 1xz4 h SER 133 CO -0.02 0.85 0.44 0.74 -1.14 0.00 0.00 176.83 177.70 1xz4 h THR 134 N 1.33 1.24 -0.22 -2.27 2.02 -0.54 -2.23 112.91 112.24 1xz4 h THR 134 Ca 0.35 -0.60 -0.07 0.00 0.77 0.00 0.00 66.41 66.86 1xz4 h THR 134 Cb -0.10 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 66.47 1xz4 h THR 134 CO -0.07 0.27 -0.15 0.58 0.37 0.00 0.00 175.52 176.52 1xz4 h VAL 135 N 1.12 1.31 0.00 3.16 2.07 -0.88 -2.03 116.25 121.01 1xz4 h VAL 135 Ca 0.28 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 1xz4 h VAL 135 Cb 0.04 1.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1xz4 h VAL 135 CO -0.04 0.39 -0.03 -0.07 0.02 0.00 0.00 177.57 177.83 1xz4 h LEU 136 N 0.18 0.00 -2.70 2.57 3.38 -0.97 -2.17 115.31 115.61 1xz4 h LEU 136 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1xz4 h LEU 136 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1xz4 h LEU 136 CO 0.04 0.03 0.00 0.35 0.09 0.00 0.00 178.44 178.95 1xz4 n THR 137 N -3.92 0.90 0.27 0.22 -2.24 -0.86 -4.52 114.28 104.13 1xz4 n THR 137 Ca -0.03 -0.95 0.16 0.00 -2.27 0.00 0.00 64.05 60.97 1xz4 n THR 137 Cb 0.12 0.59 0.65 0.00 -2.10 0.00 0.00 70.33 69.58 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 3.43 0.00 -0.35 3.42 4.64 -0.68 -2.88 113.55 121.13 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 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1xz4 h SER 138 CO 0.00 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 1xz4 n LYS 139 N -3.12 3.44 0.19 4.77 5.02 -1.26 -4.65 118.16 122.55 1xz4 n LYS 139 Ca 0.01 -2.92 0.03 0.00 -2.02 0.00 0.00 58.31 53.40 1xz4 n LYS 139 Cb 0.32 -1.95 0.37 0.00 -0.02 0.00 0.00 35.03 33.75 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 2.39 0.00 0.00 2.13 0.99 -1.82 -3.46 116.97 117.20 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 1.58 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.31 1xz4 h TYR 140 CO 0.65 0.37 0.00 2.89 -0.00 0.00 0.00 178.16 182.07