#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hv4 s HIS 2 N 0.00 2.80 -0.25 3.52 2.46 -1.26 -5.01 115.29 117.55 1hv4 s HIS 2 Ca 0.00 -0.87 -0.05 0.00 0.47 0.00 0.00 55.06 54.61 1hv4 s HIS 2 Cb 0.00 -1.88 -0.01 0.00 -0.13 0.00 0.00 32.58 30.56 1hv4 s HIS 2 CO 0.00 -0.37 0.02 -1.58 -2.47 0.00 0.00 174.74 170.34 1hv4 s TRP 3 N 0.66 3.05 0.70 3.88 0.52 -1.26 -5.09 118.94 121.40 1hv4 s TRP 3 Ca -0.07 -0.86 -0.16 0.00 0.02 0.00 0.00 56.10 55.03 1hv4 s TRP 3 Cb -0.16 -2.18 0.02 0.00 -1.15 0.00 0.00 33.47 30.01 1hv4 s TRP 3 CO 0.02 -0.52 1.20 -1.54 0.02 0.00 0.00 176.95 176.13 1hv4 s SER 4 N 1.51 4.49 0.56 2.95 1.04 -1.26 -4.85 113.70 118.14 1hv4 s SER 4 Ca 0.05 2.32 0.25 0.00 0.48 0.00 0.00 55.95 59.06 1hv4 s SER 4 Cb -0.15 -2.59 1.52 0.00 0.10 0.00 0.00 66.02 64.90 1hv4 s SER 4 CO 0.00 -2.06 2.08 0.00 0.98 0.00 0.00 173.24 174.24 1hv4 h ALA 5 N -0.03 2.02 0.18 5.32 0.00 -2.00 -1.96 119.26 122.79 1hv4 h ALA 5 Ca -0.48 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.16 1hv4 h ALA 5 Cb 1.29 0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.12 1hv4 h ALA 5 CO 0.51 -0.33 -1.18 1.05 0.00 0.00 0.00 179.25 179.30 1hv4 h GLU 6 N 0.00 0.39 -0.83 0.00 9.09 -1.99 -2.77 114.58 118.48 1hv4 h GLU 6 Ca 0.11 -0.67 0.20 0.00 0.05 0.00 0.00 59.36 59.06 1hv4 h GLU 6 Cb 0.53 0.25 -0.12 0.00 -1.65 0.00 0.00 28.75 27.76 1hv4 h GLU 6 CO -0.00 1.32 0.26 0.93 0.05 0.00 0.00 179.01 181.56 1hv4 h GLU 7 N -0.15 0.29 0.02 1.06 5.08 -1.71 1.00 114.58 120.17 1hv4 h GLU 7 Ca -0.21 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1hv4 h GLU 7 Cb 1.88 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.06 1hv4 h GLU 7 CO 0.19 0.19 -0.01 0.87 -1.00 0.00 0.00 179.01 179.25 1hv4 h LYS 8 N 0.29 -0.02 -0.01 2.33 1.57 -1.53 -1.78 116.57 117.42 1hv4 h LYS 8 Ca 0.50 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.30 1hv4 h LYS 8 Cb 0.92 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.18 1hv4 h LYS 8 CO -0.56 0.19 -0.53 0.37 -0.57 0.00 0.00 179.45 178.36 1hv4 h GLN 9 N -0.24 -0.63 -0.86 3.15 4.15 -0.25 0.54 115.11 120.97 1hv4 h GLN 9 Ca -0.00 0.04 0.22 0.00 0.77 0.00 0.00 58.65 59.68 1hv4 h GLN 9 Cb 0.23 0.14 -0.14 0.00 0.21 0.00 0.00 27.48 27.92 1hv4 h GLN 9 CO 0.00 -0.42 0.21 -0.07 -1.93 0.00 0.00 178.83 176.62 1hv4 h LEU 10 N -0.66 -0.04 0.16 -2.39 -0.00 0.91 -1.66 115.31 111.64 1hv4 h LEU 10 Ca 0.01 0.19 -0.01 0.00 -0.00 0.00 0.00 57.88 58.08 1hv4 h LEU 10 Cb 0.70 0.27 0.00 0.00 -0.00 0.00 0.00 40.66 41.64 1hv4 h LEU 10 CO -0.35 -0.15 -0.08 0.40 -0.00 0.00 0.00 178.44 178.26 1hv4 h ILE 11 N 0.20 0.88 -0.14 1.22 2.04 -0.40 -3.18 117.51 118.14 1hv4 h ILE 11 Ca 0.53 -1.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.24 1hv4 h ILE 11 Cb 1.04 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 1hv4 h ILE 11 CO -0.65 0.22 -0.14 0.71 0.00 0.00 0.00 178.15 178.29 1hv4 h THR 12 N -0.83 1.18 0.76 -0.27 1.35 -0.74 -1.17 112.91 113.19 1hv4 h THR 12 Ca -0.02 -0.78 -0.04 0.00 -0.55 0.00 0.00 66.41 65.02 1hv4 h THR 12 Cb 0.53 1.23 0.01 0.00 -1.73 0.00 0.00 68.15 68.18 1hv4 h THR 12 CO 0.04 0.24 -0.36 1.23 -0.25 0.00 0.00 175.52 176.41 1hv4 h GLY 13 N 0.73 -1.06 0.31 5.82 0.00 -1.43 -2.69 103.07 104.76 1hv4 h GLY 13 Ca 0.04 0.39 0.18 0.00 0.00 0.00 0.00 47.33 47.95 1hv4 h GLY 13 CO 0.02 -0.39 0.60 -2.00 0.00 0.00 0.00 176.54 174.78 1hv4 h LEU 14 N -1.25 0.59 -0.37 3.11 5.85 -1.52 -0.51 115.31 121.22 1hv4 h LEU 14 Ca -0.10 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.74 1hv4 h LEU 14 Cb 0.78 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.69 1hv4 h LEU 14 CO 0.17 0.25 -0.01 -0.25 -0.34 0.00 0.00 178.44 178.26 1hv4 h TRP 15 N 0.60 -0.04 -0.64 1.25 -0.00 -1.07 -1.44 115.95 114.61 1hv4 h TRP 15 Ca 0.50 0.03 0.16 0.00 -0.00 0.00 0.00 58.89 59.57 1hv4 h TRP 15 Cb 0.96 0.07 -0.03 0.00 -0.00 0.00 0.00 29.16 30.16 1hv4 h TRP 15 CO -0.00 -0.08 0.44 0.78 -0.00 0.00 0.00 178.44 179.58 1hv4 h GLY 16 N 0.09 0.26 1.37 2.65 0.00 -0.75 -2.15 103.07 104.54 1hv4 h GLY 16 Ca 0.18 -0.07 -0.31 0.00 0.00 0.00 0.00 47.33 47.14 1hv4 h GLY 16 CO -0.31 0.02 -1.42 0.50 0.00 0.00 0.00 176.54 175.32 1hv4 h LYS 17 N 0.15 0.35 -6.23 4.80 6.56 -1.29 -3.47 116.57 117.44 1hv4 h LYS 17 Ca 0.31 -0.60 -0.70 0.00 -1.06 0.00 0.00 60.65 58.60 1hv4 h LYS 17 Cb 1.00 0.22 0.04 0.00 -0.57 0.00 0.00 32.23 32.92 1hv4 h LYS 17 CO -0.04 1.26 0.64 0.28 -2.06 0.00 0.00 179.45 179.53 1hv4 n VAL 18 N -3.57 0.12 -3.04 0.50 0.31 -0.80 -4.91 118.33 106.94 1hv4 n VAL 18 Ca -0.14 -0.02 -0.45 0.00 -0.01 0.00 0.00 64.34 63.72 1hv4 n VAL 18 Cb 1.06 -1.01 -0.03 0.00 -0.91 0.00 0.00 33.84 32.95 1hv4 n VAL 18 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1hv4 s ASN 19 N 1.65 6.62 0.54 4.52 3.84 -1.26 -4.88 114.94 125.97 1hv4 s ASN 19 Ca 0.89 -2.14 0.29 0.00 0.21 0.00 0.00 52.86 52.12 1hv4 s ASN 19 Cb -0.98 -2.34 1.46 0.00 -0.55 0.00 0.00 41.25 38.83 1hv4 s ASN 19 CO 0.53 -0.95 1.93 -0.37 -2.79 0.00 0.00 177.10 175.45 1hv4 h VAL 20 N 5.57 0.61 0.53 -5.21 -1.51 -1.95 -2.10 116.25 112.19 1hv4 h VAL 20 Ca 0.10 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.55 1hv4 h VAL 20 Cb 1.03 0.61 0.01 0.00 -2.13 0.00 0.00 31.29 30.81 1hv4 h VAL 20 CO 1.02 0.00 -0.26 0.00 -1.23 0.00 0.00 177.57 177.10 1hv4 h ALA 21 N 1.61 -0.71 0.02 5.19 0.00 -1.90 0.35 119.26 123.82 1hv4 h ALA 21 Ca 0.36 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1hv4 h ALA 21 Cb 1.47 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1hv4 h ALA 21 CO -0.00 -0.83 -0.01 -0.44 0.00 0.00 0.00 179.25 177.96 1hv4 h ASP 22 N -0.85 -0.02 -0.15 0.00 5.19 -1.88 -2.83 116.42 115.87 1hv4 h ASP 22 Ca -0.07 -0.43 -0.00 0.00 -0.62 0.00 0.00 57.03 55.91 1hv4 h ASP 22 Cb 0.60 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.11 1hv4 h ASP 22 CO 0.12 0.42 0.09 0.00 -3.12 0.00 0.00 179.24 176.75 1hv4 h GLY 24 N 0.17 1.31 0.46 0.00 0.00 -1.01 0.06 103.07 104.06 1hv4 h GLY 24 Ca 0.05 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 1hv4 h GLY 24 CO -0.01 0.25 -0.07 0.00 0.00 0.00 0.00 176.54 176.72 1hv4 h ALA 25 N 1.53 0.04 -0.76 3.60 0.00 -1.23 -2.55 119.26 119.88 1hv4 h ALA 25 Ca 0.40 -0.33 0.13 0.00 0.00 0.00 0.00 54.91 55.11 1hv4 h ALA 25 Cb 0.30 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.99 1hv4 h ALA 25 CO -0.16 -0.10 0.33 1.49 0.00 0.00 0.00 179.25 180.80 1hv4 h GLU 26 N -0.49 0.48 0.62 0.00 4.57 -0.80 -1.57 114.58 117.40 1hv4 h GLU 26 Ca -0.00 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 1hv4 h GLU 26 Cb 0.68 -0.11 0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1hv4 h GLU 26 CO 0.01 0.32 -0.30 0.00 -1.18 0.00 0.00 179.01 177.86 1hv4 h ALA 27 N 1.53 -0.88 -0.66 2.92 0.00 -0.96 -2.04 119.26 119.17 1hv4 h ALA 27 Ca 0.41 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 55.26 1hv4 h ALA 27 Cb 0.58 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1hv4 h ALA 27 CO -0.37 -0.81 0.45 1.25 0.00 0.00 0.00 179.25 179.76 1hv4 h LEU 28 N -1.16 0.34 0.77 0.00 5.85 -1.41 -0.50 115.31 119.19 1hv4 h LEU 28 Ca -0.09 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 1hv4 h LEU 28 Cb 0.64 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.62 1hv4 h LEU 28 CO 0.14 0.19 -0.37 0.00 -0.34 0.00 0.00 178.44 178.06 1hv4 h ALA 29 N 1.68 -1.22 -0.99 1.25 0.00 -1.29 -2.32 119.26 116.37 1hv4 h ALA 29 Ca 0.32 -0.23 0.22 0.00 0.00 0.00 0.00 54.91 55.22 1hv4 h ALA 29 Cb 0.73 0.40 -0.10 0.00 0.00 0.00 0.00 17.79 18.82 1hv4 h ALA 29 CO -0.09 -1.14 0.62 0.00 0.00 0.00 0.00 179.25 178.64 1hv4 h ARG 30 N -1.09 0.55 0.15 0.00 3.08 -0.54 0.10 114.38 116.64 1hv4 h ARG 30 Ca -0.11 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1hv4 h ARG 30 Cb 0.80 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.72 1hv4 h ARG 30 CO 0.17 0.37 -0.07 1.25 -1.07 0.00 0.00 179.97 180.62 1hv4 h LEU 31 N 0.57 -0.17 -1.09 3.04 5.85 -0.97 0.07 115.31 122.60 1hv4 h LEU 31 Ca 0.56 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.27 1hv4 h LEU 31 Cb 1.15 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 1hv4 h LEU 31 CO -0.32 -0.07 0.61 -0.07 -0.34 0.00 0.00 178.44 178.25 1hv4 h LEU 32 N -0.26 1.03 -0.16 2.25 3.38 -0.49 -1.62 115.31 119.45 1hv4 h LEU 32 Ca -0.02 -0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 1hv4 h LEU 32 Cb 0.20 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.71 1hv4 h LEU 32 CO 0.03 0.72 -0.55 0.40 0.09 0.00 0.00 178.44 179.14 1hv4 h ILE 33 N 1.20 1.32 0.10 1.22 2.04 -0.68 -3.19 117.51 119.53 1hv4 h ILE 33 Ca 0.36 -1.80 -0.22 0.00 1.00 0.00 0.00 64.86 64.20 1hv4 h ILE 33 Cb -0.05 1.99 0.02 0.00 -0.74 0.00 0.00 36.82 38.05 1hv4 h ILE 33 CO -0.10 0.56 -0.92 0.58 0.00 0.00 0.00 178.15 178.27 1hv4 h VAL 34 N 0.33 1.41 -2.76 1.67 2.07 -0.93 -3.38 116.25 114.66 1hv4 h VAL 34 Ca -0.02 -2.39 -0.66 0.00 0.82 0.00 0.00 66.70 64.44 1hv4 h VAL 34 Cb 1.18 2.87 -0.38 0.00 -1.52 0.00 0.00 31.29 33.44 1hv4 h VAL 34 CO 0.12 0.70 -0.27 -1.22 0.02 0.00 0.00 177.57 176.92 1hv4 n TYR 35 N -4.03 3.53 -0.31 1.57 4.01 -0.61 -4.96 117.16 116.35 1hv4 n TYR 35 Ca -0.13 -3.97 0.19 0.00 -0.16 0.00 0.00 57.90 53.83 1hv4 n TYR 35 Cb 0.85 -0.82 0.36 0.00 -0.31 0.00 0.00 39.34 39.42 1hv4 n TYR 35 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1hv4 n PRO 36 N 1.50 -0.07 0.10 -0.72 -0.02 -1.20 -1.60 135.00 133.00 1hv4 n PRO 36 Ca 0.25 1.35 0.19 0.00 -2.02 0.00 0.00 63.50 63.27 1hv4 n PRO 36 Cb 0.38 -2.22 0.76 0.00 -0.02 0.00 0.00 33.50 32.39 1hv4 n PRO 36 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 1hv4 h TRP 37 N 0.00 0.00 0.00 6.00 0.09 -1.93 0.50 115.95 120.61 1hv4 h TRP 37 Ca 0.63 0.00 -0.00 0.00 0.09 0.00 0.00 58.89 59.61 1hv4 h TRP 37 Cb 1.45 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 30.69 1hv4 h TRP 37 CO -0.32 0.00 -0.02 1.79 0.09 0.00 0.00 178.44 179.98 1hv4 h THR 38 N 0.00 0.25 -0.54 0.12 1.35 -1.63 -2.21 112.91 110.25 1hv4 h THR 38 Ca 0.18 -0.15 0.12 0.00 -0.55 0.00 0.00 66.41 66.01 1hv4 h THR 38 Cb 0.89 1.11 -0.03 0.00 -1.73 0.00 0.00 68.15 68.40 1hv4 h THR 38 CO -0.00 0.02 0.37 1.56 -0.25 0.00 0.00 175.52 177.22 1hv4 h GLN 39 N 0.00 0.18 -1.01 4.72 4.20 -1.10 -2.26 115.11 119.84 1hv4 h GLN 39 Ca -0.00 -0.01 0.24 0.00 0.06 0.00 0.00 58.65 58.94 1hv4 h GLN 39 Cb 0.11 -0.04 -0.10 0.00 0.30 0.00 0.00 27.48 27.75 1hv4 h GLN 39 CO 0.00 0.12 0.64 -0.09 -0.67 0.00 0.00 178.83 178.83 1hv4 h ARG 40 N 0.19 0.48 0.00 1.46 2.43 -1.60 0.12 114.38 117.47 1hv4 h ARG 40 Ca 0.26 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1hv4 h ARG 40 Cb 0.76 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1hv4 h ARG 40 CO -0.04 0.32 0.00 1.19 -1.51 0.00 0.00 179.97 179.93 1hv4 n PHE 41 N -4.69 0.00 -2.10 2.20 3.01 -0.85 -3.57 117.46 111.47 1hv4 n PHE 41 Ca 0.25 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.54 1hv4 n PHE 41 Cb 0.78 -0.25 0.04 0.00 -0.01 0.00 0.00 39.48 40.04 1hv4 n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1hv4 n PHE 42 N -1.25 2.19 0.27 1.38 3.01 0.42 -4.77 117.46 118.71 1hv4 n PHE 42 Ca 0.14 -2.10 0.11 0.00 1.01 0.00 0.00 57.45 56.62 1hv4 n PHE 42 Cb 0.21 -0.31 0.75 0.00 -0.01 0.00 0.00 39.48 40.12 1hv4 n PHE 42 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1hv4 h SER 43 N 2.09 0.00 0.00 4.37 4.64 -1.60 -1.97 113.55 121.08 1hv4 h SER 43 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1hv4 h SER 43 Cb 1.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 1hv4 h SER 43 CO 0.58 0.02 0.00 -1.54 -0.87 0.00 0.00 176.83 175.02 1hv4 n SER 44 N -4.20 0.00 -1.14 4.97 3.41 -1.26 -3.32 113.62 112.08 1hv4 n SER 44 Ca -0.03 -1.39 0.09 0.00 -0.26 0.00 0.00 58.87 57.28 1hv4 n SER 44 Cb 0.10 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.32 1hv4 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1hv4 n PHE 45 N -0.56 0.94 -0.71 7.33 0.99 -0.74 -5.06 117.46 119.66 1hv4 n PHE 45 Ca 0.02 -0.56 0.00 0.00 -0.00 0.00 0.00 57.45 56.91 1hv4 n PHE 45 Cb 0.01 -0.10 0.00 0.00 -1.00 0.00 0.00 39.48 38.39 1hv4 n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1hv4 n GLY 46 N 0.94 2.05 3.73 1.37 0.00 -1.21 -4.79 105.19 107.28 1hv4 n GLY 46 Ca 0.20 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1hv4 n GLY 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1hv4 s ASN 47 N -4.00 6.84 0.00 1.61 2.47 -1.26 -4.81 114.94 115.79 1hv4 s ASN 47 Ca 0.00 2.39 0.13 0.00 0.42 0.00 0.00 52.86 55.80 1hv4 s ASN 47 Cb 0.00 -2.60 0.22 0.00 -1.45 0.00 0.00 41.25 37.42 1hv4 s ASN 47 CO 0.00 -0.60 1.06 0.18 -3.72 0.00 0.00 177.10 174.02 1hv4 n LEU 48 N 3.23 0.15 0.24 3.21 4.77 -1.26 -4.78 117.00 122.57 1hv4 n LEU 48 Ca 0.09 -1.87 0.07 0.00 -0.03 0.00 0.00 56.01 54.26 1hv4 n LEU 48 Cb 0.42 0.00 0.57 0.00 -2.33 0.00 0.00 43.42 42.09 1hv4 n LEU 48 CO 0.58 0.87 0.97 -1.28 -1.33 0.00 0.00 177.39 177.20 1hv4 h SER 49 N 0.51 0.00 -5.16 -1.43 0.87 -1.88 -3.45 113.55 103.01 1hv4 h SER 49 Ca -0.32 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.16 1hv4 h SER 49 Cb 1.64 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 63.46 1hv4 h SER 49 CO -0.05 0.11 -0.30 -0.94 -0.53 0.00 0.00 176.83 175.12 1hv4 s SER 50 N -6.95 0.04 0.03 6.23 1.04 -1.26 -5.00 113.70 107.82 1hv4 s SER 50 Ca -0.04 -0.63 -0.08 0.00 0.48 0.00 0.00 55.95 55.68 1hv4 s SER 50 Cb 0.16 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.64 1hv4 s SER 50 CO 0.68 -0.79 1.13 -0.65 0.98 0.00 0.00 173.24 174.59 1hv4 h PRO 51 N 2.63 -0.13 -0.34 4.02 0.11 -1.99 0.64 132.00 136.95 1hv4 h PRO 51 Ca -0.33 0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.88 1hv4 h PRO 51 Cb 1.22 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1hv4 h PRO 51 CO 0.53 -0.08 0.34 0.00 -0.21 0.00 0.00 178.00 178.58 1hv4 h THR 52 N -0.13 0.46 0.00 -1.15 1.03 -2.00 1.17 112.91 112.30 1hv4 h THR 52 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.41 1hv4 h THR 52 Cb 0.15 0.73 0.00 0.00 -1.07 0.00 0.00 68.15 67.97 1hv4 h THR 52 CO -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 175.41 1hv4 h ALA 53 N 1.63 1.00 0.10 0.00 0.00 -1.40 -3.25 119.26 117.34 1hv4 h ALA 53 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.72 1hv4 h ALA 53 Cb 0.85 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1hv4 h ALA 53 CO -0.00 0.00 -1.96 -0.89 0.00 0.00 0.00 179.25 176.40 1hv4 n ILE 54 N -2.34 1.74 -0.32 0.00 5.41 0.40 -3.47 119.36 120.77 1hv4 n ILE 54 Ca 0.04 -0.58 0.06 0.00 1.00 0.00 0.00 62.75 63.27 1hv4 n ILE 54 Cb 0.35 -1.75 0.22 0.00 -0.71 0.00 0.00 39.64 37.74 1hv4 n ILE 54 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1hv4 h LEU 55 N -0.06 0.72 -0.32 1.39 -0.00 -1.47 -2.61 115.31 112.96 1hv4 h LEU 55 Ca -0.43 0.06 -0.19 0.00 -0.00 0.00 0.00 57.88 57.32 1hv4 h LEU 55 Cb 1.94 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 42.53 1hv4 h LEU 55 CO 0.04 0.36 -0.65 1.23 -0.00 0.00 0.00 178.44 179.42 1hv4 h GLY 56 N 0.80 0.78 -6.88 0.83 0.00 -1.73 -3.45 103.07 93.42 1hv4 h GLY 56 Ca 0.46 -1.00 -0.74 0.00 0.00 0.00 0.00 47.33 46.05 1hv4 h GLY 56 CO -0.29 0.89 1.23 -2.01 0.00 0.00 0.00 176.54 176.36 1hv4 n ASN 57 N -3.95 1.57 0.17 0.19 4.05 -0.99 -4.79 115.26 111.52 1hv4 n ASN 57 Ca -0.05 0.70 0.13 0.00 0.45 0.00 0.00 54.58 55.81 1hv4 n ASN 57 Cb 0.67 -1.07 0.58 0.00 1.23 0.00 0.00 39.78 41.19 1hv4 n ASN 57 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1hv4 h PRO 58 N 9.55 0.00 0.18 1.20 0.13 -1.88 -1.89 132.00 139.29 1hv4 h PRO 58 Ca -0.25 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.58 1hv4 h PRO 58 Cb 1.36 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.51 1hv4 h PRO 58 CO 1.03 0.00 -1.35 0.52 -0.23 0.00 0.00 178.00 177.97 1hv4 h MET 59 N 0.00 0.38 0.42 0.86 2.86 -1.92 -0.39 114.93 117.15 1hv4 h MET 59 Ca 0.00 -0.64 -0.02 0.00 -2.06 0.00 0.00 59.70 56.98 1hv4 h MET 59 Cb 0.32 0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1hv4 h MET 59 CO 0.00 1.30 -0.20 0.28 1.06 0.00 0.00 176.91 179.35 1hv4 h VAL 60 N 0.10 0.55 -0.82 -2.22 2.07 -1.77 -0.72 116.25 113.44 1hv4 h VAL 60 Ca -0.19 -0.36 0.08 0.00 0.82 0.00 0.00 66.70 67.05 1hv4 h VAL 60 Cb 2.05 0.72 -0.07 0.00 -1.52 0.00 0.00 31.29 32.47 1hv4 h VAL 60 CO 0.23 0.06 0.48 0.03 0.02 0.00 0.00 177.57 178.39 1hv4 h ARG 61 N -0.79 0.80 0.63 1.57 3.08 -1.43 0.38 114.38 118.62 1hv4 h ARG 61 Ca -0.06 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 1hv4 h ARG 61 Cb 0.54 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 30.42 1hv4 h ARG 61 CO 0.10 0.53 -0.30 0.00 -1.07 0.00 0.00 179.97 179.22 1hv4 h ALA 62 N 1.43 -0.85 -0.65 0.04 0.00 -0.96 -2.70 119.26 115.57 1hv4 h ALA 62 Ca 0.38 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1hv4 h ALA 62 Cb 0.30 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1hv4 h ALA 62 CO -0.22 -0.91 0.43 1.25 0.00 0.00 0.00 179.25 179.80 1hv4 h HIS 63 N -0.99 0.75 -0.17 0.00 -0.00 -0.88 -1.94 115.15 111.93 1hv4 h HIS 63 Ca -0.09 0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.35 1hv4 h HIS 63 Cb 0.69 -0.25 -0.06 0.00 -0.00 0.00 0.00 27.41 27.79 1hv4 h HIS 63 CO -0.01 0.44 -0.26 0.78 -0.00 0.00 0.00 177.93 178.88 1hv4 h GLY 64 N 0.78 -0.26 1.85 5.26 0.00 -0.10 0.26 103.07 110.85 1hv4 h GLY 64 Ca 0.26 0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.82 1hv4 h GLY 64 CO -0.07 -0.20 -0.34 0.07 0.00 0.00 0.00 176.54 175.99 1hv4 h LYS 65 N -0.31 0.18 -0.22 4.80 2.10 -1.12 -2.02 116.57 119.99 1hv4 h LYS 65 Ca 0.11 -0.07 -0.02 0.00 -2.00 0.00 0.00 60.65 58.67 1hv4 h LYS 65 Cb 0.48 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.79 1hv4 h LYS 65 CO -0.34 0.50 0.06 -0.22 -2.00 0.00 0.00 179.45 177.45 1hv4 h LYS 66 N 0.16 0.34 -0.71 0.07 3.64 -0.49 -0.85 116.57 118.73 1hv4 h LYS 66 Ca 0.02 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1hv4 h LYS 66 Cb 0.68 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.42 1hv4 h LYS 66 CO 0.05 0.44 0.46 0.28 -2.27 0.00 0.00 179.45 178.41 1hv4 h VAL 67 N 0.17 1.14 -0.38 2.00 2.07 -0.29 -2.91 116.25 118.05 1hv4 h VAL 67 Ca 0.07 -0.31 -0.12 0.00 0.82 0.00 0.00 66.70 67.15 1hv4 h VAL 67 Cb 0.25 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1hv4 h VAL 67 CO -0.00 0.17 -0.26 0.25 0.02 0.00 0.00 177.57 177.75 1hv4 h LEU 68 N 0.91 0.79 -0.93 2.57 5.85 -1.14 -2.80 115.31 120.56 1hv4 h LEU 68 Ca 0.27 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1hv4 h LEU 68 Cb -0.04 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.77 1hv4 h LEU 68 CO -0.08 1.01 0.00 0.71 -0.34 0.00 0.00 178.44 179.74 1hv4 h THR 69 N 0.67 0.00 -0.36 1.05 1.35 -0.97 -1.95 112.91 112.69 1hv4 h THR 69 Ca 0.09 -0.26 -0.09 0.00 -0.55 0.00 0.00 66.41 65.59 1hv4 h THR 69 Cb 0.78 1.03 -0.02 0.00 -1.73 0.00 0.00 68.15 68.21 1hv4 h THR 69 CO 0.06 0.00 -0.16 0.77 -0.25 0.00 0.00 175.52 175.95 1hv4 h SER 70 N 0.00 0.66 0.07 5.36 4.64 -1.33 0.60 113.55 123.55 1hv4 h SER 70 Ca 0.00 -0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1hv4 h SER 70 Cb 0.36 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1hv4 h SER 70 CO 0.00 0.83 -0.00 -0.26 -0.87 0.00 0.00 176.83 176.52 1hv4 h PHE 71 N 0.60 0.00 -0.60 4.77 -1.00 -1.45 0.18 116.94 119.43 1hv4 h PHE 71 Ca 0.10 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.88 1hv4 h PHE 71 Cb 0.61 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.14 1hv4 h PHE 71 CO 0.03 0.00 0.38 0.78 -1.61 0.00 0.00 178.31 177.89 1hv4 h GLY 72 N 0.15 0.86 2.00 -1.45 0.00 -0.94 0.36 103.07 104.05 1hv4 h GLY 72 Ca -0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 1hv4 h GLY 72 CO 0.00 0.33 -0.22 -0.55 0.00 0.00 0.00 176.54 176.10 1hv4 h ASP 73 N 0.83 0.00 0.34 0.19 3.32 -0.70 -2.23 116.42 118.17 1hv4 h ASP 73 Ca 0.22 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 1hv4 h ASP 73 Cb -0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1hv4 h ASP 73 CO -0.04 0.22 -0.16 0.00 -1.72 0.00 0.00 179.24 177.54 1hv4 h ALA 74 N 1.78 -0.45 -0.27 3.45 0.00 -0.86 -2.98 119.26 119.92 1hv4 h ALA 74 Ca -0.00 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.80 1hv4 h ALA 74 Cb 1.05 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1hv4 h ALA 74 CO 0.03 -0.50 0.29 0.28 0.00 0.00 0.00 179.25 179.35 1hv4 h VAL 75 N -0.96 0.44 -0.54 0.00 2.07 -1.03 -2.50 116.25 113.73 1hv4 h VAL 75 Ca -0.05 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.58 1hv4 h VAL 75 Cb 0.51 0.77 -0.10 0.00 -1.52 0.00 0.00 31.29 30.95 1hv4 h VAL 75 CO 0.08 0.00 -0.10 0.50 0.02 0.00 0.00 177.57 178.06 1hv4 h LYS 76 N 0.00 0.02 -1.32 1.57 1.63 -1.23 -3.36 116.57 113.88 1hv4 h LYS 76 Ca 0.13 -0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 59.60 1hv4 h LYS 76 Cb 0.71 -0.01 -0.24 0.00 -0.60 0.00 0.00 32.23 32.10 1hv4 h LYS 76 CO -0.00 0.02 -0.69 0.27 -3.45 0.00 0.00 179.45 175.60 1hv4 n ASN 77 N -5.35 -2.20 0.00 4.20 0.23 -0.96 -5.01 115.26 106.17 1hv4 n ASN 77 Ca 0.06 -2.80 0.00 0.00 -0.53 0.00 0.00 54.58 51.30 1hv4 n ASN 77 Cb 0.29 0.89 0.00 0.00 -2.08 0.00 0.00 39.78 38.88 1hv4 n ASN 77 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1hv4 n LEU 78 N 2.56 0.00 -2.12 -4.53 4.77 -1.09 -1.06 117.00 115.54 1hv4 n LEU 78 Ca 0.20 0.08 -0.27 0.00 -0.03 0.00 0.00 56.01 56.00 1hv4 n LEU 78 Cb 0.55 -0.08 0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1hv4 n LEU 78 CO 0.04 -0.08 0.47 0.47 -1.33 0.00 0.00 177.39 176.96 1hv4 n ASP 79 N -0.91 5.55 -0.17 -1.43 8.00 -1.26 -4.58 116.55 121.75 1hv4 n ASP 79 Ca 0.00 -3.76 0.00 0.00 0.71 0.00 0.00 54.79 51.74 1hv4 n ASP 79 Cb 0.10 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 1hv4 n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1hv4 n ASN 80 N -0.74 0.00 -0.18 -2.24 5.15 -0.22 -4.99 115.26 112.03 1hv4 n ASN 80 Ca 0.48 -0.71 -0.01 0.00 -0.60 0.00 0.00 54.58 53.74 1hv4 n ASN 80 Cb 0.88 0.00 0.08 0.00 -0.53 0.00 0.00 39.78 40.22 1hv4 n ASN 80 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1hv4 h ILE 81 N 2.81 0.74 -0.16 -1.44 2.04 -1.81 -2.35 117.51 117.34 1hv4 h ILE 81 Ca 0.00 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.79 1hv4 h ILE 81 Cb 0.71 0.40 -0.07 0.00 -0.74 0.00 0.00 36.82 37.12 1hv4 h ILE 81 CO 0.00 0.06 -0.46 0.50 0.00 0.00 0.00 178.15 178.25 1hv4 h LYS 82 N 0.31 -0.49 -0.09 2.37 3.11 -1.93 -1.53 116.57 118.32 1hv4 h LYS 82 Ca 0.28 0.03 -0.05 0.00 -2.81 0.00 0.00 60.65 58.10 1hv4 h LYS 82 Cb 0.35 0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.69 1hv4 h LYS 82 CO -0.32 -0.33 -0.15 -0.91 -2.81 0.00 0.00 179.45 174.94 1hv4 h ASN 83 N -0.51 0.14 0.77 4.20 4.21 -1.94 -2.22 115.58 120.24 1hv4 h ASN 83 Ca 0.07 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.55 1hv4 h ASN 83 Cb 0.64 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.81 1hv4 h ASN 83 CO -0.43 0.31 -0.06 0.35 -1.29 0.00 0.00 177.43 176.31 1hv4 n THR 84 N -4.29 0.00 -0.17 2.81 -2.24 -0.88 -3.74 114.28 105.78 1hv4 n THR 84 Ca -0.01 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1hv4 n THR 84 Cb 0.26 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 1hv4 n THR 84 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1hv4 n PHE 85 N -1.39 0.00 -0.13 4.78 3.01 -0.63 -4.76 117.46 118.33 1hv4 n PHE 85 Ca 0.10 -0.21 -0.04 0.00 1.01 0.00 0.00 57.45 58.30 1hv4 n PHE 85 Cb 0.31 -0.02 0.03 0.00 -0.01 0.00 0.00 39.48 39.79 1hv4 n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1hv4 h ALA 86 N 0.00 0.34 -0.03 4.37 0.00 -1.50 0.80 119.26 123.25 1hv4 h ALA 86 Ca 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1hv4 h ALA 86 Cb 0.34 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1hv4 h ALA 86 CO 0.00 -0.43 -0.16 -0.56 0.00 0.00 0.00 179.25 178.10 1hv4 h GLN 87 N 0.05 0.04 -0.03 0.00 -0.00 -1.86 0.12 115.11 113.42 1hv4 h GLN 87 Ca 0.21 -0.01 -0.21 0.00 -0.00 0.00 0.00 58.65 58.65 1hv4 h GLN 87 Cb 0.32 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.48 27.79 1hv4 h GLN 87 CO -0.41 0.20 -0.85 -0.07 -0.00 0.00 0.00 178.83 177.71 1hv4 h LEU 88 N 0.04 0.50 -0.35 0.06 -0.00 -1.05 -3.16 115.31 111.34 1hv4 h LEU 88 Ca 0.01 -0.37 -0.18 0.00 -0.00 0.00 0.00 57.88 57.34 1hv4 h LEU 88 Cb 0.31 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 40.82 1hv4 h LEU 88 CO 0.02 1.14 -0.57 0.77 -0.00 0.00 0.00 178.44 179.81 1hv4 h SER 89 N 0.24 0.86 -0.51 -0.43 4.64 0.14 -3.01 113.55 115.49 1hv4 h SER 89 Ca -0.06 -0.47 0.10 0.00 -0.47 0.00 0.00 61.79 60.89 1hv4 h SER 89 Cb 1.46 -0.25 -0.08 0.00 -0.31 0.00 0.00 62.40 63.22 1hv4 h SER 89 CO 0.15 1.25 0.03 -0.08 -0.87 0.00 0.00 176.83 177.30 1hv4 h GLU 90 N 0.58 0.15 -0.03 4.77 4.81 -0.77 0.24 114.58 124.33 1hv4 h GLU 90 Ca 0.01 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.03 1hv4 h GLU 90 Cb 1.16 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.52 1hv4 h GLU 90 CO 0.12 0.10 -0.77 1.37 -0.73 0.00 0.00 179.01 179.09 1hv4 h LEU 91 N 0.15 0.72 -1.88 1.64 8.10 -1.61 0.46 115.31 122.89 1hv4 h LEU 91 Ca 0.26 -0.73 -0.03 0.00 0.11 0.00 0.00 57.88 57.49 1hv4 h LEU 91 Cb 0.38 -0.22 -0.00 0.00 -0.44 0.00 0.00 40.66 40.38 1hv4 h LEU 91 CO -0.40 1.35 -0.13 0.45 -4.11 0.00 0.00 178.44 175.61 1hv4 h HIS 92 N 0.17 0.00 0.00 0.17 3.86 -1.34 0.50 115.15 118.50 1hv4 h HIS 92 Ca -0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1hv4 h HIS 92 Cb 1.45 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.92 1hv4 h HIS 92 CO 0.12 0.13 -0.71 0.00 0.86 0.00 0.00 177.93 178.33 1hv4 h ASP 94 N -0.86 0.10 0.00 0.00 3.45 -1.04 -3.16 116.42 114.92 1hv4 h ASP 94 Ca 0.00 -0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.37 1hv4 h ASP 94 Cb 0.71 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 39.45 1hv4 h ASP 94 CO 0.00 0.97 0.00 1.17 -1.57 0.00 0.00 179.24 179.81 1hv4 n LYS 95 N -3.52 0.00 0.17 3.56 3.00 -0.54 -4.66 118.16 116.16 1hv4 n LYS 95 Ca -0.02 0.01 0.04 0.00 -0.00 0.00 0.00 58.31 58.34 1hv4 n LYS 95 Cb 0.86 -0.25 0.43 0.00 0.00 0.00 0.00 35.03 36.06 1hv4 n LYS 95 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1hv4 h LEU 96 N 0.00 0.11 -1.15 3.14 -0.00 -0.22 -3.47 115.31 113.71 1hv4 h LEU 96 Ca 0.00 -0.02 -0.28 0.00 -0.00 0.00 0.00 57.88 57.58 1hv4 h LEU 96 Cb 0.00 -0.03 0.11 0.00 -0.00 0.00 0.00 40.66 40.74 1hv4 h LEU 96 CO 0.00 0.30 -0.51 1.41 -0.00 0.00 0.00 178.44 179.64 1hv4 n HIS 97 N -4.28 -1.95 -2.18 1.13 8.25 -0.79 -4.97 115.22 110.45 1hv4 n HIS 97 Ca -0.02 0.72 -0.41 0.00 -0.26 0.00 0.00 57.72 57.76 1hv4 n HIS 97 Cb 0.27 -4.04 -0.03 0.00 1.12 0.00 0.00 29.99 27.32 1hv4 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1hv4 s VAL 98 N -3.24 2.93 0.02 1.59 1.01 0.06 -4.95 120.40 117.82 1hv4 s VAL 98 Ca 0.30 0.87 -0.30 0.00 0.00 0.00 0.00 61.98 62.85 1hv4 s VAL 98 Cb -0.13 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1hv4 s VAL 98 CO 0.53 0.18 1.09 -0.62 0.00 0.00 0.00 175.10 176.28 1hv4 s ASP 99 N -0.22 7.22 0.52 3.32 2.15 -1.26 -4.81 116.67 123.58 1hv4 s ASP 99 Ca 0.52 1.82 0.40 0.00 0.43 0.00 0.00 52.55 55.72 1hv4 s ASP 99 Cb -0.38 -2.57 1.58 0.00 -0.30 0.00 0.00 42.92 41.25 1hv4 s ASP 99 CO 0.46 -0.38 1.66 -0.65 -0.17 0.00 0.00 175.17 176.09 1hv4 h PRO 100 N 6.85 0.04 -0.81 4.34 0.11 -1.96 0.31 132.00 140.89 1hv4 h PRO 100 Ca -0.40 -0.00 0.23 0.00 0.11 0.00 0.00 66.00 65.93 1hv4 h PRO 100 Cb 1.21 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1hv4 h PRO 100 CO 0.79 0.02 0.58 0.93 -0.21 0.00 0.00 178.00 180.11 1hv4 h GLU 101 N 0.04 0.04 0.00 1.05 4.39 -2.01 0.24 114.58 118.33 1hv4 h GLU 101 Ca 0.79 -0.00 -0.13 0.00 0.34 0.00 0.00 59.36 60.36 1hv4 h GLU 101 Cb 2.97 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 31.59 1hv4 h GLU 101 CO -0.12 0.02 -0.60 -0.91 -1.16 0.00 0.00 179.01 176.24 1hv4 h ASN 102 N 0.04 0.00 -0.40 1.42 4.21 -1.31 -2.57 115.58 116.97 1hv4 h ASN 102 Ca 0.39 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.88 1hv4 h ASN 102 Cb 1.50 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.68 1hv4 h ASN 102 CO -0.02 0.60 0.20 -0.26 -1.29 0.00 0.00 177.43 176.66 1hv4 h PHE 103 N 0.00 0.57 -0.08 1.19 0.04 -1.09 -0.16 116.94 117.41 1hv4 h PHE 103 Ca -0.01 -0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.77 1hv4 h PHE 103 Cb 1.30 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 39.24 1hv4 h PHE 103 CO 0.00 0.47 -0.10 -0.09 -0.60 0.00 0.00 178.31 177.99 1hv4 h ARG 104 N 0.51 -0.13 -0.31 1.51 1.12 -1.49 -1.50 114.38 114.08 1hv4 h ARG 104 Ca 0.14 0.01 0.07 0.00 -1.11 0.00 0.00 59.98 59.09 1hv4 h ARG 104 Cb 0.11 0.03 -0.08 0.00 -0.01 0.00 0.00 29.97 30.02 1hv4 h ARG 104 CO -0.02 -0.09 -0.24 -0.07 -3.11 0.00 0.00 179.97 176.45 1hv4 h LEU 105 N -0.14 -0.78 -0.38 3.80 3.38 -0.93 -1.48 115.31 118.79 1hv4 h LEU 105 Ca 0.07 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1hv4 h LEU 105 Cb 0.23 0.38 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1hv4 h LEU 105 CO -0.16 -0.27 0.22 0.25 0.09 0.00 0.00 178.44 178.57 1hv4 h LEU 106 N -0.21 0.46 -0.94 1.67 5.85 -0.87 -2.44 115.31 118.83 1hv4 h LEU 106 Ca 0.16 -0.07 0.14 0.00 0.84 0.00 0.00 57.88 58.95 1hv4 h LEU 106 Cb 0.46 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.28 1hv4 h LEU 106 CO -0.43 0.40 0.56 1.23 -0.34 0.00 0.00 178.44 179.86 1hv4 h GLY 107 N 0.49 1.57 0.87 3.75 0.00 -0.72 0.22 103.07 109.24 1hv4 h GLY 107 Ca 0.13 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 1hv4 h GLY 107 CO -0.02 0.06 0.06 -0.55 0.00 0.00 0.00 176.54 176.08 1hv4 h ASP 108 N 0.82 0.34 -0.26 0.19 3.45 -0.84 -2.40 116.42 117.73 1hv4 h ASP 108 Ca 0.50 -0.23 0.01 0.00 0.43 0.00 0.00 57.03 57.74 1hv4 h ASP 108 Cb 0.61 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 39.27 1hv4 h ASP 108 CO -0.31 0.48 0.14 0.40 -1.57 0.00 0.00 179.24 178.37 1hv4 h ILE 109 N 0.18 1.02 -0.79 0.35 2.04 -0.85 -2.11 117.51 117.35 1hv4 h ILE 109 Ca 0.07 -0.10 0.19 0.00 1.00 0.00 0.00 64.86 66.02 1hv4 h ILE 109 Cb 0.27 0.70 -0.13 0.00 -0.74 0.00 0.00 36.82 36.92 1hv4 h ILE 109 CO 0.00 0.05 0.13 0.25 0.00 0.00 0.00 178.15 178.58 1hv4 h LEU 110 N 0.29 -0.14 -0.19 1.44 7.12 -0.86 0.56 115.31 123.54 1hv4 h LEU 110 Ca 0.10 0.18 0.01 0.00 0.13 0.00 0.00 57.88 58.30 1hv4 h LEU 110 Cb 0.01 0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 40.41 1hv4 h LEU 110 CO -0.06 -0.13 0.11 0.40 -0.13 0.00 0.00 178.44 178.63 1hv4 h ILE 111 N 0.18 1.02 -0.84 4.05 1.08 -0.87 -1.81 117.51 120.33 1hv4 h ILE 111 Ca 0.46 -0.08 0.04 0.00 -0.39 0.00 0.00 64.86 64.89 1hv4 h ILE 111 Cb 0.85 0.77 -0.05 0.00 -3.07 0.00 0.00 36.82 35.32 1hv4 h ILE 111 CO -0.62 0.04 0.54 0.40 -0.69 0.00 0.00 178.15 177.81 1hv4 h ILE 112 N 0.23 1.12 -0.04 -0.67 2.04 -0.58 -1.65 117.51 117.97 1hv4 h ILE 112 Ca 0.07 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1hv4 h ILE 112 Cb -0.00 -0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.07 1hv4 h ILE 112 CO -0.04 0.19 0.03 0.58 0.00 0.00 0.00 178.15 178.91 1hv4 h VAL 113 N 1.03 1.02 -0.56 1.67 2.07 -0.65 -2.06 116.25 118.77 1hv4 h VAL 113 Ca 0.34 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.85 1hv4 h VAL 113 Cb 0.02 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 1hv4 h VAL 113 CO -0.12 0.02 0.28 -0.07 0.02 0.00 0.00 177.57 177.70 1hv4 h LEU 114 N 0.04 0.39 -2.01 2.57 3.38 -1.03 -1.56 115.31 117.08 1hv4 h LEU 114 Ca 0.02 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.13 1hv4 h LEU 114 Cb 0.01 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1hv4 h LEU 114 CO -0.00 0.26 0.27 0.00 0.09 0.00 0.00 178.44 179.05 1hv4 h ALA 115 N 1.31 2.32 0.00 1.53 0.00 -0.79 -0.97 119.26 122.67 1hv4 h ALA 115 Ca 0.25 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1hv4 h ALA 115 Cb 0.19 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1hv4 h ALA 115 CO -0.19 -0.46 -0.63 0.00 0.00 0.00 0.00 179.25 177.98 1hv4 h ALA 116 N 1.81 0.73 0.00 0.00 0.00 -0.62 -2.90 119.26 118.27 1hv4 h ALA 116 Ca 0.17 -0.31 -0.19 0.00 0.00 0.00 0.00 54.91 54.58 1hv4 h ALA 116 Cb 0.71 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1hv4 h ALA 116 CO -0.00 0.38 -1.61 0.72 0.00 0.00 0.00 179.25 178.74 1hv4 n HIS 117 N -3.02 0.77 -0.09 0.00 -0.00 -0.53 -4.24 115.22 108.12 1hv4 n HIS 117 Ca 0.00 0.26 0.05 0.00 -0.00 0.00 0.00 57.72 58.03 1hv4 n HIS 117 Cb 0.66 -1.03 0.13 0.00 -0.00 0.00 0.00 29.99 29.75 1hv4 n HIS 117 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1hv4 n PHE 118 N -2.82 0.38 0.00 4.41 3.01 -0.48 -5.04 117.46 116.91 1hv4 n PHE 118 Ca -0.13 -0.43 0.00 0.00 1.01 0.00 0.00 57.45 57.90 1hv4 n PHE 118 Cb 0.87 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 40.32 1hv4 n PHE 118 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1hv4 n ALA 119 N 0.48 0.00 0.37 4.37 0.00 -1.09 -0.00 120.51 124.63 1hv4 n ALA 119 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.59 1hv4 n ALA 119 Cb 0.40 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.05 1hv4 n ALA 119 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1hv4 n LYS 120 N 9.57 0.07 0.00 0.00 5.02 -1.26 -1.78 118.16 129.78 1hv4 n LYS 120 Ca 0.00 0.27 0.14 0.00 -2.02 0.00 0.00 58.31 56.70 1hv4 n LYS 120 Cb 0.00 -1.50 0.61 0.00 -0.02 0.00 0.00 35.03 34.12 1hv4 n LYS 120 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1hv4 n GLU 121 N -1.39 0.46 -3.08 1.97 2.13 0.99 -4.21 120.64 117.52 1hv4 n GLU 121 Ca 0.03 -0.13 -0.44 0.00 0.66 0.00 0.00 57.16 57.29 1hv4 n GLU 121 Cb 0.09 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.30 1hv4 n GLU 121 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1hv4 n PHE 122 N -1.16 4.06 -1.66 4.31 7.35 -0.73 -4.98 117.46 124.65 1hv4 n PHE 122 Ca 0.12 -3.31 -0.33 0.00 -0.76 0.00 0.00 57.45 53.18 1hv4 n PHE 122 Cb 0.29 -1.66 0.06 0.00 0.35 0.00 0.00 39.48 38.51 1hv4 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1hv4 s THR 123 N -1.21 3.24 0.26 -2.13 -4.23 -1.26 -4.69 115.64 105.63 1hv4 s THR 123 Ca 0.34 0.54 -0.02 0.00 -1.18 0.00 0.00 61.69 61.37 1hv4 s THR 123 Cb -0.02 -3.06 0.26 0.00 1.34 0.00 0.00 72.50 71.02 1hv4 s THR 123 CO -0.00 -0.39 1.69 -0.65 -0.54 0.00 0.00 174.62 174.73 1hv4 h PRO 124 N -0.19 0.31 -0.76 3.99 0.11 -1.95 0.49 132.00 134.00 1hv4 h PRO 124 Ca -0.46 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1hv4 h PRO 124 Cb 1.24 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 1hv4 h PRO 124 CO 0.53 0.21 0.47 -0.44 -0.21 0.00 0.00 178.00 178.56 1hv4 h ASP 125 N 0.32 0.91 -0.23 -2.05 5.19 -1.99 -0.57 116.42 117.99 1hv4 h ASP 125 Ca 0.47 -0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.81 1hv4 h ASP 125 Cb 0.84 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.11 1hv4 h ASP 125 CO -0.52 0.69 0.10 0.00 -3.12 0.00 0.00 179.24 176.39 1hv4 h GLN 127 N 0.23 -0.08 -0.90 0.00 4.15 0.19 -1.78 115.11 116.92 1hv4 h GLN 127 Ca 0.08 0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.61 1hv4 h GLN 127 Cb 0.15 0.02 -0.08 0.00 0.21 0.00 0.00 27.48 27.78 1hv4 h GLN 127 CO -0.01 -0.05 0.53 0.00 -1.93 0.00 0.00 178.83 177.37 1hv4 h ALA 128 N 1.10 1.33 -0.72 3.38 0.00 -0.91 0.71 119.26 124.14 1hv4 h ALA 128 Ca 0.11 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1hv4 h ALA 128 Cb 0.25 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1hv4 h ALA 128 CO -0.26 0.13 0.41 0.00 0.00 0.00 0.00 179.25 179.53 1hv4 h ALA 129 N 1.50 0.92 -0.08 0.00 0.00 -0.51 -1.24 119.26 119.86 1hv4 h ALA 129 Ca 0.45 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 55.05 1hv4 h ALA 129 Cb 0.45 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1hv4 h ALA 129 CO -0.27 0.41 -0.79 -1.49 0.00 0.00 0.00 179.25 177.11 1hv4 h TRP 130 N 0.98 0.71 -0.16 0.00 4.06 -0.72 -1.85 115.95 118.98 1hv4 h TRP 130 Ca 0.26 -0.33 0.05 0.00 2.06 0.00 0.00 58.89 60.93 1hv4 h TRP 130 Cb 0.01 -0.10 -0.06 0.00 -1.00 0.00 0.00 29.16 28.00 1hv4 h TRP 130 CO -0.01 1.12 -0.21 1.96 -3.56 0.00 0.00 178.44 177.74 1hv4 h GLN 131 N 0.34 -0.25 0.06 0.49 1.08 -0.49 0.29 115.11 116.63 1hv4 h GLN 131 Ca -0.05 0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1hv4 h GLN 131 Cb 1.40 0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 28.85 1hv4 h GLN 131 CO 0.14 -0.17 -0.26 -0.22 -0.95 0.00 0.00 178.83 177.38 1hv4 h LYS 132 N -0.26 -0.41 0.08 1.46 3.64 -1.17 -1.16 116.57 118.75 1hv4 h LYS 132 Ca 0.11 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1hv4 h LYS 132 Cb 0.42 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.29 1hv4 h LYS 132 CO -0.31 -0.28 -0.50 1.25 -2.27 0.00 0.00 179.45 177.35 1hv4 h LEU 133 N -0.43 -1.50 -0.88 5.20 5.85 -0.54 0.83 115.31 123.84 1hv4 h LEU 133 Ca 0.05 0.16 0.23 0.00 0.84 0.00 0.00 57.88 59.16 1hv4 h LEU 133 Cb 0.48 0.56 -0.13 0.00 0.37 0.00 0.00 40.66 41.94 1hv4 h LEU 133 CO -0.18 -0.53 0.33 0.58 -0.34 0.00 0.00 178.44 178.30 1hv4 h VAL 134 N -0.70 0.40 -0.06 1.05 2.07 -0.22 0.13 116.25 118.93 1hv4 h VAL 134 Ca 0.01 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 1hv4 h VAL 134 Cb 0.73 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1hv4 h VAL 134 CO -0.30 0.06 -0.19 0.03 0.02 0.00 0.00 177.57 177.19 1hv4 h ARG 135 N 0.31 0.24 0.00 1.57 3.08 -0.53 -2.18 114.38 116.88 1hv4 h ARG 135 Ca 0.56 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.43 1hv4 h ARG 135 Cb 1.10 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.18 1hv4 h ARG 135 CO -0.58 0.80 -0.01 -0.24 -1.07 0.00 0.00 179.97 178.86 1hv4 h VAL 136 N -0.27 0.29 0.03 2.04 3.04 0.13 0.21 116.25 121.71 1hv4 h VAL 136 Ca -0.01 -0.09 -0.00 0.00 -1.01 0.00 0.00 66.70 65.59 1hv4 h VAL 136 Cb 0.81 1.06 0.00 0.00 -2.01 0.00 0.00 31.29 31.16 1hv4 h VAL 136 CO 0.04 0.01 -0.01 0.58 -1.01 0.00 0.00 177.57 177.18 1hv4 h VAL 137 N 0.00 1.31 -0.55 1.51 2.07 -0.91 -3.00 116.25 116.68 1hv4 h VAL 137 Ca -0.00 -1.82 0.09 0.00 0.82 0.00 0.00 66.70 65.79 1hv4 h VAL 137 Cb 0.06 2.41 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 1hv4 h VAL 137 CO 0.00 0.42 0.37 0.00 0.02 0.00 0.00 177.57 178.38 1hv4 h ALA 138 N -0.16 2.01 0.00 1.67 0.00 -0.71 0.25 119.26 122.31 1hv4 h ALA 138 Ca -0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1hv4 h ALA 138 Cb 0.71 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1hv4 h ALA 138 CO 0.01 -0.12 -0.31 1.25 0.00 0.00 0.00 179.25 180.08 1hv4 h HIS 139 N 0.39 0.00 0.10 0.00 6.17 -1.04 0.36 115.15 121.13 1hv4 h HIS 139 Ca 0.25 0.00 -0.26 0.00 0.71 0.00 0.00 60.37 61.07 1hv4 h HIS 139 Cb 0.48 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.41 1hv4 h HIS 139 CO -0.00 0.31 -1.17 0.00 0.71 0.00 0.00 177.93 177.78 1hv4 h ALA 140 N 1.69 0.17 -0.02 5.26 0.00 -0.42 -2.82 119.26 123.13 1hv4 h ALA 140 Ca -0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 54.91 54.03 1hv4 h ALA 140 Cb 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1hv4 h ALA 140 CO 0.04 0.96 -0.09 -0.07 0.00 0.00 0.00 179.25 180.09 1hv4 h LEU 141 N 0.09 0.11 0.00 0.00 3.38 -0.68 -3.39 115.31 114.82 1hv4 h LEU 141 Ca -0.11 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.19 1hv4 h LEU 141 Cb 1.88 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1hv4 h LEU 141 CO 0.19 0.76 0.00 0.00 0.09 0.00 0.00 178.44 179.48 1hv4 n ALA 142 N -2.46 0.00 0.00 1.53 0.00 0.12 -3.81 120.51 115.90 1hv4 n ALA 142 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1hv4 n ALA 142 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1hv4 n ALA 142 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1hv4 n ARG 143 N 0.00 0.00 0.00 0.00 -4.01 -1.06 -2.53 116.66 109.06 1hv4 n ARG 143 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 1hv4 n ARG 143 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 1hv4 n ARG 143 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 1hv4 n LYS 144 N 0.00 0.00 0.00 2.89 0.00 -1.25 0.19 118.16 119.99 1hv4 n LYS 144 Ca 0.00 0.22 0.11 0.00 0.00 0.00 0.00 58.31 58.64 1hv4 n LYS 144 Cb 0.00 -1.71 -0.03 0.00 0.00 0.00 0.00 35.03 33.28 1hv4 n LYS 144 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1hv4 n TYR 145 N -1.18 0.00 -1.39 5.64 4.01 -1.05 -4.85 117.16 118.34 1hv4 n TYR 145 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1hv4 n TYR 145 Cb 0.21 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 1hv4 n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12