#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 2.86 -0.25 3.52 5.04 -1.26 -5.01 115.29 120.19 1hv4 s HIS 2 Ca 0.00 -0.80 -0.06 0.00 -1.54 0.00 0.00 55.06 52.67 1hv4 s HIS 2 Cb 0.00 -1.93 -0.01 0.00 0.04 0.00 0.00 32.58 30.68 1hv4 s HIS 2 CO 0.00 -0.35 0.03 -1.58 -2.34 0.00 0.00 174.74 170.49 1hv4 s TRP 3 N 0.75 3.05 0.67 3.88 0.52 -1.26 -5.09 118.94 121.47 1hv4 s TRP 3 Ca -0.05 -0.79 -0.16 0.00 0.02 0.00 0.00 56.10 55.13 1hv4 s TRP 3 Cb -0.15 -2.19 0.01 0.00 -1.15 0.00 0.00 33.47 29.99 1hv4 s TRP 3 CO 0.01 -0.49 1.19 -1.54 0.02 0.00 0.00 176.95 176.14 1hv4 s SER 4 N 1.53 4.70 0.55 2.95 1.04 -1.26 -4.85 113.70 118.36 1hv4 s SER 4 Ca 0.05 2.31 0.25 0.00 0.48 0.00 0.00 55.95 59.04 1hv4 s SER 4 Cb -0.15 -2.59 1.48 0.00 0.10 0.00 0.00 66.02 64.87 1hv4 s SER 4 CO 0.00 -1.92 2.07 0.00 0.98 0.00 0.00 173.24 174.38 1hv4 h ALA 5 N 0.18 2.09 0.19 5.32 0.00 -2.00 -1.66 119.26 123.38 1hv4 h ALA 5 Ca -0.48 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.17 1hv4 h ALA 5 Cb 1.29 0.02 0.03 0.00 0.00 0.00 0.00 17.79 19.13 1hv4 h ALA 5 CO 0.52 -0.37 -1.08 1.05 0.00 0.00 0.00 179.25 179.37 1hv4 h GLU 6 N 0.00 0.40 -0.82 0.00 9.09 -1.99 -2.77 114.58 118.50 1hv4 h GLU 6 Ca 0.13 -0.68 0.20 0.00 0.05 0.00 0.00 59.36 59.06 1hv4 h GLU 6 Cb 0.58 0.25 -0.13 0.00 -1.65 0.00 0.00 28.75 27.80 1hv4 h GLU 6 CO -0.00 1.33 0.17 0.93 0.05 0.00 0.00 179.01 181.49 1hv4 h GLU 7 N -0.16 0.20 0.06 1.06 5.08 -1.66 0.93 114.58 120.09 1hv4 h GLU 7 Ca -0.19 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1hv4 h GLU 7 Cb 1.86 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.06 1hv4 h GLU 7 CO 0.20 0.13 -0.03 0.87 -1.00 0.00 0.00 179.01 179.19 1hv4 h LYS 8 N 0.20 -0.08 -0.02 2.33 1.57 -1.52 -1.74 116.57 117.32 1hv4 h LYS 8 Ca 0.49 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.30 1hv4 h LYS 8 Cb 0.93 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.20 1hv4 h LYS 8 CO -0.62 0.11 -0.50 0.37 -0.57 0.00 0.00 179.45 178.23 1hv4 h GLN 9 N -0.25 -0.61 -0.84 3.15 4.15 -0.11 0.67 115.11 121.27 1hv4 h GLN 9 Ca -0.01 0.04 0.21 0.00 0.77 0.00 0.00 58.65 59.67 1hv4 h GLN 9 Cb 0.22 0.14 -0.13 0.00 0.21 0.00 0.00 27.48 27.91 1hv4 h GLN 9 CO 0.01 -0.41 0.20 -0.07 -1.93 0.00 0.00 178.83 176.64 1hv4 h LEU 10 N -0.63 -0.04 0.22 -2.39 -0.00 0.76 -1.84 115.31 111.39 1hv4 h LEU 10 Ca 0.03 0.19 -0.01 0.00 -0.00 0.00 0.00 57.88 58.09 1hv4 h LEU 10 Cb 0.70 0.26 0.00 0.00 -0.00 0.00 0.00 40.66 41.62 1hv4 h LEU 10 CO -0.36 -0.13 -0.10 0.40 -0.00 0.00 0.00 178.44 178.24 1hv4 h ILE 11 N 0.21 0.70 -0.14 1.22 2.04 -0.39 -3.16 117.51 117.99 1hv4 h ILE 11 Ca 0.51 -0.98 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 1hv4 h ILE 11 Cb 0.98 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1hv4 h ILE 11 CO -0.63 0.17 -0.08 0.71 0.00 0.00 0.00 178.15 178.32 1hv4 h THR 12 N -0.89 1.15 0.72 -0.27 1.35 -0.74 -0.69 112.91 113.54 1hv4 h THR 12 Ca -0.03 -0.62 -0.04 0.00 -0.55 0.00 0.00 66.41 65.18 1hv4 h THR 12 Cb 0.51 1.14 0.01 0.00 -1.73 0.00 0.00 68.15 68.07 1hv4 h THR 12 CO 0.05 0.19 -0.35 1.23 -0.25 0.00 0.00 175.52 176.40 1hv4 h GLY 13 N 0.62 -1.01 0.30 5.82 0.00 -1.46 -2.70 103.07 104.64 1hv4 h GLY 13 Ca 0.04 0.37 0.18 0.00 0.00 0.00 0.00 47.33 47.93 1hv4 h GLY 13 CO 0.01 -0.37 0.60 -2.00 0.00 0.00 0.00 176.54 174.79 1hv4 h LEU 14 N -1.22 0.61 -0.42 3.11 5.85 -1.50 -0.34 115.31 121.40 1hv4 h LEU 14 Ca -0.10 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.76 1hv4 h LEU 14 Cb 0.74 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.65 1hv4 h LEU 14 CO 0.16 0.26 0.01 -0.25 -0.34 0.00 0.00 178.44 178.28 1hv4 h TRP 15 N 0.62 -0.00 -0.47 1.25 -0.00 -0.98 -1.45 115.95 114.92 1hv4 h TRP 15 Ca 0.50 0.03 0.14 0.00 -0.00 0.00 0.00 58.89 59.56 1hv4 h TRP 15 Cb 0.95 0.07 -0.02 0.00 -0.00 0.00 0.00 29.16 30.16 1hv4 h TRP 15 CO -0.00 -0.07 0.34 0.78 -0.00 0.00 0.00 178.44 179.49 1hv4 h GLY 16 N 0.12 0.00 1.36 2.65 0.00 -0.73 -1.93 103.07 104.55 1hv4 h GLY 16 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.25 1hv4 h GLY 16 CO -0.33 0.00 -1.44 0.50 0.00 0.00 0.00 176.54 175.27 1hv4 h LYS 17 N 0.00 0.22 -6.26 4.80 6.56 -1.29 -3.48 116.57 117.13 1hv4 h LYS 17 Ca 0.22 -0.37 -0.68 0.00 -1.06 0.00 0.00 60.65 58.76 1hv4 h LYS 17 Cb 0.91 0.14 0.04 0.00 -0.57 0.00 0.00 32.23 32.74 1hv4 h LYS 17 CO -0.00 1.09 0.74 0.28 -2.06 0.00 0.00 179.45 179.50 1hv4 n VAL 18 N -3.44 0.19 -3.04 0.50 0.31 -0.73 -4.92 118.33 107.21 1hv4 n VAL 18 Ca -0.13 -0.03 -0.45 0.00 -0.01 0.00 0.00 64.34 63.72 1hv4 n VAL 18 Cb 1.03 -1.19 -0.03 0.00 -0.91 0.00 0.00 33.84 32.74 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 2.09 6.62 0.54 4.52 3.84 -1.26 -4.88 114.94 126.42 1hv4 s ASN 19 Ca 0.90 -2.14 0.30 0.00 0.21 0.00 0.00 52.86 52.12 1hv4 s ASN 19 Cb -0.93 -2.35 1.46 0.00 -0.55 0.00 0.00 41.25 38.89 1hv4 s ASN 19 CO 0.53 -0.95 1.92 -0.37 -2.79 0.00 0.00 177.10 175.43 1hv4 h VAL 20 N 5.58 0.58 0.70 -5.21 -1.51 -1.95 -2.03 116.25 112.42 1hv4 h VAL 20 Ca 0.11 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.54 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 -0.34 0.00 -1.23 0.00 0.00 177.57 177.02 1hv4 h ALA 21 N 1.59 -0.94 -0.06 5.19 0.00 -1.90 0.30 119.26 123.45 1hv4 h ALA 21 Ca 0.36 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1hv4 h ALA 21 Cb 1.47 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 19.62 1hv4 h ALA 21 CO -0.00 -0.95 -0.02 -0.44 0.00 0.00 0.00 179.25 177.84 1hv4 h ASP 22 N -1.10 0.12 0.05 0.00 5.19 -1.89 -2.76 116.42 116.04 1hv4 h ASP 22 Ca -0.10 -0.40 -0.00 0.00 -0.62 0.00 0.00 57.03 55.91 1hv4 h ASP 22 Cb 0.75 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.23 1hv4 h ASP 22 CO 0.16 0.49 -0.02 0.00 -3.12 0.00 0.00 179.24 176.74 1hv4 h GLY 24 N -0.11 1.53 0.56 0.00 0.00 -1.01 0.68 103.07 104.72 1hv4 h GLY 24 Ca -0.01 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 1hv4 h GLY 24 CO 0.01 0.15 -0.08 0.00 0.00 0.00 0.00 176.54 176.63 1hv4 h ALA 25 N 1.51 0.07 -0.63 3.60 0.00 -1.28 -2.42 119.26 120.11 1hv4 h ALA 25 Ca 0.47 -0.31 0.11 0.00 0.00 0.00 0.00 54.91 55.18 1hv4 h ALA 25 Cb 0.45 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 1hv4 h ALA 25 CO -0.26 -0.09 0.19 1.49 0.00 0.00 0.00 179.25 180.58 1hv4 h GLU 26 N -0.35 0.32 0.74 0.00 4.57 -0.66 -1.69 114.58 117.50 1hv4 h GLU 26 Ca 0.00 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 1hv4 h GLU 26 Cb 0.63 -0.07 0.01 0.00 -0.16 0.00 0.00 28.75 29.16 1hv4 h GLU 26 CO 0.02 0.21 -0.35 0.00 -1.18 0.00 0.00 179.01 177.71 1hv4 h ALA 27 N 1.48 -1.07 -0.58 2.92 0.00 -0.82 -1.87 119.26 119.32 1hv4 h ALA 27 Ca 0.33 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 55.13 1hv4 h ALA 27 Cb 0.48 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1hv4 h ALA 27 CO -0.38 -1.00 0.39 1.25 0.00 0.00 0.00 179.25 179.51 1hv4 h LEU 28 N -1.16 0.32 0.85 0.00 5.85 -1.40 -0.59 115.31 119.18 1hv4 h LEU 28 Ca -0.10 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 1hv4 h LEU 28 Cb 0.76 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.74 1hv4 h LEU 28 CO 0.17 0.19 -0.41 0.00 -0.34 0.00 0.00 178.44 178.05 1hv4 h ALA 29 N 1.71 -1.25 -0.98 1.25 0.00 -1.27 -2.36 119.26 116.36 1hv4 h ALA 29 Ca 0.27 -0.25 0.20 0.00 0.00 0.00 0.00 54.91 55.13 1hv4 h ALA 29 Cb 0.58 0.44 -0.09 0.00 0.00 0.00 0.00 17.79 18.72 1hv4 h ALA 29 CO -0.07 -1.17 0.62 0.00 0.00 0.00 0.00 179.25 178.63 1hv4 h ARG 30 N -1.20 0.59 0.03 0.00 3.08 -0.49 0.17 114.38 116.57 1hv4 h ARG 30 Ca -0.12 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 1hv4 h ARG 30 Cb 0.88 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1hv4 h ARG 30 CO 0.19 0.39 -0.02 1.25 -1.07 0.00 0.00 179.97 180.71 1hv4 h LEU 31 N 0.60 -0.04 -1.05 3.04 5.85 -0.99 0.35 115.31 123.07 1hv4 h LEU 31 Ca 0.55 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 59.23 1hv4 h LEU 31 Cb 1.07 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 1hv4 h LEU 31 CO -0.30 0.00 0.45 -0.07 -0.34 0.00 0.00 178.44 178.17 1hv4 h LEU 32 N -0.07 0.99 -0.13 2.25 3.38 -0.50 -1.78 115.31 119.45 1hv4 h LEU 32 Ca -0.00 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 1hv4 h LEU 32 Cb 0.06 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1hv4 h LEU 32 CO 0.01 0.79 -0.39 0.40 0.09 0.00 0.00 178.44 179.34 1hv4 h ILE 33 N 1.12 1.37 -0.01 1.22 2.04 -0.68 -3.19 117.51 119.37 1hv4 h ILE 33 Ca 0.28 -1.69 -0.19 0.00 1.00 0.00 0.00 64.86 64.26 1hv4 h ILE 33 Cb 0.01 2.10 0.02 0.00 -0.74 0.00 0.00 36.82 38.21 1hv4 h ILE 33 CO -0.05 0.51 -0.75 0.58 0.00 0.00 0.00 178.15 178.44 1hv4 h VAL 34 N 0.09 1.37 -2.66 1.67 2.07 -0.92 -3.37 116.25 114.50 1hv4 h VAL 34 Ca -0.01 -2.12 -0.66 0.00 0.82 0.00 0.00 66.70 64.74 1hv4 h VAL 34 Cb 1.01 2.48 -0.39 0.00 -1.52 0.00 0.00 31.29 32.87 1hv4 h VAL 34 CO 0.08 0.63 -0.27 -1.22 0.02 0.00 0.00 177.57 176.81 1hv4 n TYR 35 N -4.09 3.47 -0.30 1.57 4.01 -0.67 -4.96 117.16 116.19 1hv4 n TYR 35 Ca -0.10 -3.92 0.20 0.00 -0.16 0.00 0.00 57.90 53.91 1hv4 n TYR 35 Cb 0.74 -0.79 0.37 0.00 -0.31 0.00 0.00 39.34 39.36 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 1.36 -0.06 0.18 -0.72 -0.02 -1.20 -1.48 135.00 133.05 1hv4 n PRO 36 Ca 0.26 1.28 0.18 0.00 -2.02 0.00 0.00 63.50 63.20 1hv4 n PRO 36 Cb 0.38 -2.14 0.81 0.00 -0.02 0.00 0.00 33.50 32.53 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 -0.39 115.95 119.72 1hv4 h TRP 37 Ca 0.63 0.00 -0.01 0.00 0.09 0.00 0.00 58.89 59.60 1hv4 h TRP 37 Cb 1.49 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 30.73 1hv4 h TRP 37 CO -0.26 0.00 -0.03 1.79 0.09 0.00 0.00 178.44 180.03 1hv4 h THR 38 N 0.00 0.30 -0.54 0.12 1.35 -1.60 -2.36 112.91 110.18 1hv4 h THR 38 Ca 0.11 -0.19 0.14 0.00 -0.55 0.00 0.00 66.41 65.92 1hv4 h THR 38 Cb 0.60 1.14 -0.03 0.00 -1.73 0.00 0.00 68.15 68.14 1hv4 h THR 38 CO -0.00 0.03 0.38 1.56 -0.25 0.00 0.00 175.52 177.24 1hv4 h GLN 39 N 0.00 0.09 -0.97 4.72 4.20 -1.27 -2.35 115.11 119.52 1hv4 h GLN 39 Ca -0.00 -0.01 0.20 0.00 0.06 0.00 0.00 58.65 58.90 1hv4 h GLN 39 Cb 0.14 -0.02 -0.09 0.00 0.30 0.00 0.00 27.48 27.81 1hv4 h GLN 39 CO 0.00 0.06 0.62 -0.09 -0.67 0.00 0.00 178.83 178.75 1hv4 h ARG 40 N 0.09 0.59 0.00 1.46 2.43 -1.63 0.97 114.38 118.29 1hv4 h ARG 40 Ca 0.26 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1hv4 h ARG 40 Cb 0.90 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 1hv4 h ARG 40 CO -0.02 0.39 0.00 1.19 -1.51 0.00 0.00 179.97 180.02 1hv4 n PHE 41 N -4.65 0.00 -2.08 2.20 3.01 -0.88 -3.59 117.46 111.47 1hv4 n PHE 41 Ca 0.22 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.52 1hv4 n PHE 41 Cb 0.64 -0.25 0.05 0.00 -0.01 0.00 0.00 39.48 39.91 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 2.07 0.28 1.38 3.01 0.33 -4.77 117.46 118.51 1hv4 n PHE 42 Ca 0.13 -2.06 0.13 0.00 1.01 0.00 0.00 57.45 56.66 1hv4 n PHE 42 Cb 0.20 -0.31 0.81 0.00 -0.01 0.00 0.00 39.48 40.17 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 2.03 0.00 0.00 4.37 4.64 -1.61 -1.74 113.55 121.25 1hv4 h SER 43 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1hv4 h SER 43 Cb 1.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 1hv4 h SER 43 CO 0.55 0.03 0.00 -1.54 -0.87 0.00 0.00 176.83 175.00 1hv4 n SER 44 N -4.01 0.00 -1.20 4.97 3.41 -1.26 -3.29 113.62 112.24 1hv4 n SER 44 Ca -0.03 -1.47 0.10 0.00 -0.26 0.00 0.00 58.87 57.21 1hv4 n SER 44 Cb 0.11 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.35 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 -0.57 0.96 -1.80 7.33 0.99 -0.65 -5.06 117.46 118.66 1hv4 n PHE 45 Ca 0.03 -0.54 0.00 0.00 -0.00 0.00 0.00 57.45 56.94 1hv4 n PHE 45 Cb 0.01 -0.07 0.00 0.00 -1.00 0.00 0.00 39.48 38.42 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 1.15 1.60 3.73 1.37 0.00 -1.21 -4.79 105.19 107.04 1hv4 n GLY 46 Ca 0.21 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 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 6.80 0.00 1.61 2.47 -1.26 -4.81 114.94 115.74 1hv4 s ASN 47 Ca 0.00 2.42 0.15 0.00 0.42 0.00 0.00 52.86 55.85 1hv4 s ASN 47 Cb 0.00 -2.60 0.25 0.00 -1.45 0.00 0.00 41.25 37.46 1hv4 s ASN 47 CO 0.00 -0.64 1.10 0.18 -3.72 0.00 0.00 177.10 174.01 1hv4 n LEU 48 N 3.39 0.21 0.20 3.21 4.77 -1.26 -4.77 117.00 122.74 1hv4 n LEU 48 Ca 0.10 -1.97 0.05 0.00 -0.03 0.00 0.00 56.01 54.15 1hv4 n LEU 48 Cb 0.42 0.00 0.50 0.00 -2.33 0.00 0.00 43.42 42.01 1hv4 n LEU 48 CO 0.59 0.89 0.95 -1.28 -1.33 0.00 0.00 177.39 177.20 1hv4 h SER 49 N 0.59 0.08 -5.17 -1.43 0.87 -1.88 -3.46 113.55 103.15 1hv4 h SER 49 Ca -0.35 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.11 1hv4 h SER 49 Cb 1.69 -0.02 -0.14 0.00 -0.44 0.00 0.00 62.40 63.50 1hv4 h SER 49 CO -0.05 0.20 -0.36 -0.94 -0.53 0.00 0.00 176.83 175.14 1hv4 s SER 50 N -6.97 0.11 0.04 6.23 1.04 -1.26 -5.00 113.70 107.89 1hv4 s SER 50 Ca -0.05 -0.68 -0.12 0.00 0.48 0.00 0.00 55.95 55.59 1hv4 s SER 50 Cb 0.16 0.35 -0.05 0.00 0.10 0.00 0.00 66.02 66.58 1hv4 s SER 50 CO 0.70 -0.75 1.20 -0.65 0.98 0.00 0.00 173.24 174.72 1hv4 h PRO 51 N 2.72 -0.21 -0.20 4.02 0.11 -1.99 0.11 132.00 136.57 1hv4 h PRO 51 Ca -0.34 0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.84 1hv4 h PRO 51 Cb 1.20 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1hv4 h PRO 51 CO 0.55 -0.14 0.24 0.00 -0.21 0.00 0.00 178.00 178.44 1hv4 h THR 52 N -0.22 0.41 0.00 -1.15 1.03 -2.00 0.90 112.91 111.89 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 0.25 0.81 0.00 0.00 -1.07 0.00 0.00 68.15 68.13 1hv4 h THR 52 CO -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 175.36 1hv4 h ALA 53 N 1.71 1.00 0.10 0.00 0.00 -1.27 -3.26 119.26 117.55 1hv4 h ALA 53 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.63 1hv4 h ALA 53 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1hv4 h ALA 53 CO -0.00 0.00 -2.08 -0.89 0.00 0.00 0.00 179.25 176.28 1hv4 n ILE 54 N -2.37 1.73 -0.31 0.00 5.41 0.31 -3.51 119.36 120.62 1hv4 n ILE 54 Ca 0.04 -0.63 0.05 0.00 1.00 0.00 0.00 62.75 63.20 1hv4 n ILE 54 Cb 0.36 -1.68 0.19 0.00 -0.71 0.00 0.00 39.64 37.80 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 0.04 0.70 -0.39 1.39 -0.00 -1.48 -2.57 115.31 113.00 1hv4 h LEU 55 Ca -0.45 0.06 -0.18 0.00 -0.00 0.00 0.00 57.88 57.30 1hv4 h LEU 55 Cb 2.00 -0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 42.58 1hv4 h LEU 55 CO 0.05 0.37 -0.64 1.23 -0.00 0.00 0.00 178.44 179.46 1hv4 h GLY 56 N 0.80 0.67 -6.77 0.83 0.00 -1.73 -3.45 103.07 93.42 1hv4 h GLY 56 Ca 0.43 -0.85 -0.74 0.00 0.00 0.00 0.00 47.33 46.17 1hv4 h GLY 56 CO -0.27 0.76 1.13 -2.01 0.00 0.00 0.00 176.54 176.15 1hv4 n ASN 57 N -3.93 1.77 0.18 0.19 4.05 -0.97 -4.80 115.26 111.76 1hv4 n ASN 57 Ca -0.04 0.80 0.14 0.00 0.45 0.00 0.00 54.58 55.92 1hv4 n ASN 57 Cb 0.66 -1.09 0.58 0.00 1.23 0.00 0.00 39.78 41.17 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 8.92 0.00 0.16 1.20 0.13 -1.88 -1.84 132.00 138.69 1hv4 h PRO 58 Ca -0.31 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.52 1hv4 h PRO 58 Cb 1.35 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.49 1hv4 h PRO 58 CO 1.01 0.00 -1.34 0.52 -0.23 0.00 0.00 178.00 177.96 1hv4 h MET 59 N 0.00 0.35 0.23 0.86 2.86 -1.92 -0.26 114.93 117.05 1hv4 h MET 59 Ca 0.00 -0.59 -0.01 0.00 -2.06 0.00 0.00 59.70 57.04 1hv4 h MET 59 Cb 0.37 0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.26 1hv4 h MET 59 CO 0.00 1.27 -0.11 0.28 1.06 0.00 0.00 176.91 179.41 1hv4 h VAL 60 N 0.09 0.83 -0.75 -2.22 2.07 -1.81 -1.18 116.25 113.29 1hv4 h VAL 60 Ca -0.18 -0.62 0.06 0.00 0.82 0.00 0.00 66.70 66.77 1hv4 h VAL 60 Cb 2.03 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 32.93 1hv4 h VAL 60 CO 0.22 0.13 0.45 0.03 0.02 0.00 0.00 177.57 178.42 1hv4 h ARG 61 N -0.64 0.80 0.70 1.57 3.08 -1.41 0.33 114.38 118.82 1hv4 h ARG 61 Ca -0.03 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 1hv4 h ARG 61 Cb 0.46 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 30.33 1hv4 h ARG 61 CO 0.05 0.53 -0.34 0.00 -1.07 0.00 0.00 179.97 179.15 1hv4 h ALA 62 N 1.36 -0.94 -0.71 0.04 0.00 -0.99 -2.68 119.26 115.34 1hv4 h ALA 62 Ca 0.33 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1hv4 h ALA 62 Cb 0.16 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1hv4 h ALA 62 CO -0.17 -0.99 0.47 1.25 0.00 0.00 0.00 179.25 179.81 1hv4 h HIS 63 N -1.02 0.82 -0.21 0.00 -0.00 -1.00 -1.93 115.15 111.80 1hv4 h HIS 63 Ca -0.10 0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.35 1hv4 h HIS 63 Cb 0.74 -0.27 -0.06 0.00 -0.00 0.00 0.00 27.41 27.82 1hv4 h HIS 63 CO -0.01 0.47 -0.16 0.78 -0.00 0.00 0.00 177.93 179.01 1hv4 h GLY 64 N 0.85 -0.02 1.93 5.26 0.00 -0.20 0.21 103.07 111.10 1hv4 h GLY 64 Ca 0.29 0.20 -0.10 0.00 0.00 0.00 0.00 47.33 47.72 1hv4 h GLY 64 CO -0.08 -0.16 -0.43 0.07 0.00 0.00 0.00 176.54 175.94 1hv4 h LYS 65 N -0.16 0.08 -0.28 4.80 2.10 -1.08 -2.15 116.57 119.88 1hv4 h LYS 65 Ca 0.13 -0.04 -0.03 0.00 -2.00 0.00 0.00 60.65 58.71 1hv4 h LYS 65 Cb 0.35 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.66 1hv4 h LYS 65 CO -0.31 0.50 0.05 -0.22 -2.00 0.00 0.00 179.45 177.47 1hv4 h LYS 66 N 0.06 0.45 -0.60 0.07 3.64 -0.51 -1.04 116.57 118.64 1hv4 h LYS 66 Ca 0.00 -0.12 0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1hv4 h LYS 66 Cb 0.79 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.52 1hv4 h LYS 66 CO 0.06 0.56 0.38 0.28 -2.27 0.00 0.00 179.45 178.45 1hv4 h VAL 67 N 0.27 1.10 -0.28 2.00 2.07 -0.40 -2.97 116.25 118.05 1hv4 h VAL 67 Ca 0.08 -0.26 -0.12 0.00 0.82 0.00 0.00 66.70 67.23 1hv4 h VAL 67 Cb 0.32 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1hv4 h VAL 67 CO 0.00 0.14 -0.32 0.25 0.02 0.00 0.00 177.57 177.66 1hv4 h LEU 68 N 0.76 0.61 -0.81 2.57 5.85 -1.19 -2.68 115.31 120.41 1hv4 h LEU 68 Ca 0.24 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1hv4 h LEU 68 Cb -0.01 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.85 1hv4 h LEU 68 CO -0.08 0.89 0.00 0.71 -0.34 0.00 0.00 178.44 179.61 1hv4 h THR 69 N 0.50 0.00 -0.30 1.05 1.35 -1.04 -1.96 112.91 112.52 1hv4 h THR 69 Ca 0.06 -0.29 -0.10 0.00 -0.55 0.00 0.00 66.41 65.53 1hv4 h THR 69 Cb 0.80 1.07 -0.01 0.00 -1.73 0.00 0.00 68.15 68.28 1hv4 h THR 69 CO 0.07 0.00 -0.23 0.77 -0.25 0.00 0.00 175.52 175.88 1hv4 h SER 70 N 0.00 0.57 0.13 5.36 4.64 -1.34 0.11 113.55 123.02 1hv4 h SER 70 Ca 0.00 -0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1hv4 h SER 70 Cb 0.40 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1hv4 h SER 70 CO 0.00 0.80 -0.01 -0.26 -0.87 0.00 0.00 176.83 176.48 1hv4 h PHE 71 N 0.50 0.00 -0.56 4.77 -1.00 -1.45 0.83 116.94 120.04 1hv4 h PHE 71 Ca 0.07 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.87 1hv4 h PHE 71 Cb 0.67 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.20 1hv4 h PHE 71 CO 0.03 0.01 0.37 0.78 -1.61 0.00 0.00 178.31 177.89 1hv4 h GLY 72 N 0.28 0.77 2.00 -1.45 0.00 -0.84 0.50 103.07 104.33 1hv4 h GLY 72 Ca -0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 1hv4 h GLY 72 CO 0.00 0.27 -0.28 -0.55 0.00 0.00 0.00 176.54 175.98 1hv4 h ASP 73 N 0.73 0.00 0.46 0.19 3.32 -0.89 -2.19 116.42 118.05 1hv4 h ASP 73 Ca 0.21 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 1hv4 h ASP 73 Cb -0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1hv4 h ASP 73 CO -0.05 0.28 -0.22 0.00 -1.72 0.00 0.00 179.24 177.53 1hv4 h ALA 74 N 1.72 -0.62 -0.32 3.45 0.00 -0.83 -2.90 119.26 119.76 1hv4 h ALA 74 Ca -0.00 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.82 1hv4 h ALA 74 Cb 1.07 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1hv4 h ALA 74 CO 0.04 -0.63 0.35 0.28 0.00 0.00 0.00 179.25 179.28 1hv4 h VAL 75 N -1.07 0.42 -0.57 0.00 2.07 -1.03 -2.28 116.25 113.80 1hv4 h VAL 75 Ca -0.06 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.57 1hv4 h VAL 75 Cb 0.56 0.72 -0.10 0.00 -1.52 0.00 0.00 31.29 30.96 1hv4 h VAL 75 CO 0.10 0.00 -0.02 0.50 0.02 0.00 0.00 177.57 178.17 1hv4 h LYS 76 N 0.00 0.09 -1.29 1.57 1.63 -1.17 -3.36 116.57 114.04 1hv4 h LYS 76 Ca 0.15 -0.01 -0.30 0.00 -0.85 0.00 0.00 60.65 59.64 1hv4 h LYS 76 Cb 0.84 -0.02 -0.23 0.00 -0.60 0.00 0.00 32.23 32.22 1hv4 h LYS 76 CO -0.00 0.06 -0.66 0.27 -3.45 0.00 0.00 179.45 175.67 1hv4 n ASN 77 N -5.29 -2.36 0.00 4.20 0.23 -0.88 -5.00 115.26 106.17 1hv4 n ASN 77 Ca 0.07 -2.81 0.00 0.00 -0.53 0.00 0.00 54.58 51.31 1hv4 n ASN 77 Cb 0.32 1.00 0.00 0.00 -2.08 0.00 0.00 39.78 39.02 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 2.63 0.00 -2.14 -4.53 4.77 -1.10 -0.79 117.00 115.84 1hv4 n LEU 78 Ca 0.20 0.10 -0.27 0.00 -0.03 0.00 0.00 56.01 56.01 1hv4 n LEU 78 Cb 0.55 -0.10 0.03 0.00 -2.33 0.00 0.00 43.42 41.57 1hv4 n LEU 78 CO 0.03 -0.10 0.50 0.47 -1.33 0.00 0.00 177.39 176.96 1hv4 n ASP 79 N -0.94 5.60 -0.17 -1.43 8.00 -1.26 -4.56 116.55 121.78 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 0.11 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 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 0.03 -4.99 115.26 112.28 1hv4 n ASN 80 Ca 0.48 -0.74 -0.01 0.00 -0.60 0.00 0.00 54.58 53.71 1hv4 n ASN 80 Cb 0.86 0.00 0.09 0.00 -0.53 0.00 0.00 39.78 40.20 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 2.91 0.70 -0.15 -1.44 2.04 -1.81 -2.34 117.51 117.43 1hv4 h ILE 81 Ca 0.00 -0.09 0.04 0.00 1.00 0.00 0.00 64.86 65.81 1hv4 h ILE 81 Cb 0.74 0.40 -0.07 0.00 -0.74 0.00 0.00 36.82 37.15 1hv4 h ILE 81 CO 0.00 0.05 -0.41 0.50 0.00 0.00 0.00 178.15 178.29 1hv4 h LYS 82 N 0.27 -0.46 -0.02 2.37 3.11 -1.94 -1.55 116.57 118.36 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 0.39 0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.72 1hv4 h LYS 82 CO -0.35 -0.31 -0.24 -0.91 -2.81 0.00 0.00 179.45 174.83 1hv4 h ASN 83 N -0.48 0.03 0.73 4.20 4.21 -1.93 -2.27 115.58 120.08 1hv4 h ASN 83 Ca 0.08 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.58 1hv4 h ASN 83 Cb 0.62 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.81 1hv4 h ASN 83 CO -0.40 0.28 -0.09 0.35 -1.29 0.00 0.00 177.43 176.28 1hv4 n THR 84 N -4.24 0.00 -0.15 2.81 -2.24 -0.86 -3.78 114.28 105.82 1hv4 n THR 84 Ca -0.02 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1hv4 n THR 84 Cb 0.31 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 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 -1.37 0.00 -0.14 4.78 3.01 -0.64 -4.76 117.46 118.34 1hv4 n PHE 85 Ca 0.10 -0.21 -0.03 0.00 1.01 0.00 0.00 57.45 58.32 1hv4 n PHE 85 Cb 0.31 -0.02 0.04 0.00 -0.01 0.00 0.00 39.48 39.80 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 0.43 -0.03 4.37 0.00 -1.51 0.78 119.26 123.29 1hv4 h ALA 86 Ca 0.00 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1hv4 h ALA 86 Cb 0.32 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1hv4 h ALA 86 CO 0.00 -0.38 -0.19 -0.56 0.00 0.00 0.00 179.25 178.12 1hv4 h GLN 87 N 0.13 0.05 -0.07 0.00 -0.00 -1.86 0.46 115.11 113.83 1hv4 h GLN 87 Ca 0.22 -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 -0.35 0.25 -0.81 -0.07 -0.00 0.00 0.00 178.83 177.84 1hv4 h LEU 88 N 0.05 0.60 -0.48 0.06 -0.00 -1.10 -3.15 115.31 111.30 1hv4 h LEU 88 Ca 0.01 -0.42 -0.16 0.00 -0.00 0.00 0.00 57.88 57.30 1hv4 h LEU 88 Cb 0.37 -0.18 -0.00 0.00 -0.00 0.00 0.00 40.66 40.85 1hv4 h LEU 88 CO 0.03 1.19 -0.53 0.77 -0.00 0.00 0.00 178.44 179.90 1hv4 h SER 89 N 0.32 0.72 -0.41 -0.43 4.64 0.11 -2.99 113.55 115.51 1hv4 h SER 89 Ca -0.05 -0.37 0.07 0.00 -0.47 0.00 0.00 61.79 60.96 1hv4 h SER 89 Cb 1.42 -0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 63.24 1hv4 h SER 89 CO 0.15 1.11 0.02 -0.08 -0.87 0.00 0.00 176.83 177.16 1hv4 h GLU 90 N 0.50 0.13 -0.05 4.77 4.81 -0.89 0.18 114.58 124.03 1hv4 h GLU 90 Ca 0.02 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.04 1hv4 h GLU 90 Cb 1.09 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.45 1hv4 h GLU 90 CO 0.11 0.09 -0.73 1.37 -0.73 0.00 0.00 179.01 179.11 1hv4 h LEU 91 N 0.13 0.74 -1.99 1.64 8.10 -1.61 0.65 115.31 122.97 1hv4 h LEU 91 Ca 0.20 -0.70 -0.02 0.00 0.11 0.00 0.00 57.88 57.47 1hv4 h LEU 91 Cb 0.28 -0.22 -0.00 0.00 -0.44 0.00 0.00 40.66 40.27 1hv4 h LEU 91 CO -0.31 1.33 -0.10 0.45 -4.11 0.00 0.00 178.44 175.70 1hv4 h HIS 92 N 0.21 0.00 0.00 0.17 3.86 -1.35 0.48 115.15 118.52 1hv4 h HIS 92 Ca -0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1hv4 h HIS 92 Cb 1.40 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.87 1hv4 h HIS 92 CO 0.12 0.10 -0.87 0.00 0.86 0.00 0.00 177.93 178.14 1hv4 h ASP 94 N -0.97 0.14 0.00 0.00 3.45 -1.00 -3.18 116.42 114.87 1hv4 h ASP 94 Ca 0.00 -0.14 0.00 0.00 0.43 0.00 0.00 57.03 57.32 1hv4 h ASP 94 Cb 0.87 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.60 1hv4 h ASP 94 CO 0.00 1.06 0.00 1.17 -1.57 0.00 0.00 179.24 179.90 1hv4 n LYS 95 N -3.47 0.00 0.13 3.56 3.00 -0.53 -4.66 118.16 116.19 1hv4 n LYS 95 Ca -0.03 0.05 0.02 0.00 -0.00 0.00 0.00 58.31 58.36 1hv4 n LYS 95 Cb 0.92 -0.35 0.37 0.00 0.00 0.00 0.00 35.03 35.96 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 0.20 -1.08 3.14 -0.00 -0.27 -3.47 115.31 113.82 1hv4 h LEU 96 Ca 0.00 -0.05 -0.26 0.00 -0.00 0.00 0.00 57.88 57.57 1hv4 h LEU 96 Cb 0.00 -0.05 0.10 0.00 -0.00 0.00 0.00 40.66 40.71 1hv4 h LEU 96 CO 0.00 0.41 -0.48 1.41 -0.00 0.00 0.00 178.44 179.78 1hv4 n HIS 97 N -4.22 -1.89 -2.18 1.13 8.25 -0.85 -4.96 115.22 110.50 1hv4 n HIS 97 Ca -0.01 0.69 -0.41 0.00 -0.26 0.00 0.00 57.72 57.73 1hv4 n HIS 97 Cb 0.31 -3.86 -0.03 0.00 1.12 0.00 0.00 29.99 27.54 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 -3.23 3.03 0.06 1.59 1.01 0.04 -4.95 120.40 117.96 1hv4 s VAL 98 Ca 0.32 0.90 -0.30 0.00 0.00 0.00 0.00 61.98 62.89 1hv4 s VAL 98 Cb -0.14 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 1hv4 s VAL 98 CO 0.50 0.16 1.17 -0.62 0.00 0.00 0.00 175.10 176.31 1hv4 s ASP 99 N 0.10 7.12 0.53 3.32 2.15 -1.26 -4.81 116.67 123.82 1hv4 s ASP 99 Ca 0.55 1.98 0.41 0.00 0.43 0.00 0.00 52.55 55.92 1hv4 s ASP 99 Cb -0.38 -2.58 1.61 0.00 -0.30 0.00 0.00 42.92 41.27 1hv4 s ASP 99 CO 0.42 -0.44 1.68 -0.65 -0.17 0.00 0.00 175.17 176.02 1hv4 h PRO 100 N 6.72 0.03 -0.75 4.34 0.11 -1.96 -0.26 132.00 140.23 1hv4 h PRO 100 Ca -0.42 -0.00 0.21 0.00 0.11 0.00 0.00 66.00 65.90 1hv4 h PRO 100 Cb 1.21 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1hv4 h PRO 100 CO 0.80 0.02 0.54 0.93 -0.21 0.00 0.00 178.00 180.08 1hv4 h GLU 101 N 0.03 0.04 0.00 1.05 4.39 -2.01 -0.30 114.58 117.78 1hv4 h GLU 101 Ca 0.76 -0.00 -0.12 0.00 0.34 0.00 0.00 59.36 60.34 1hv4 h GLU 101 Cb 2.94 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 31.57 1hv4 h GLU 101 CO -0.07 0.03 -0.55 -0.91 -1.16 0.00 0.00 179.01 176.35 1hv4 h ASN 102 N 0.04 0.00 -0.43 1.42 4.21 -1.42 -2.55 115.58 116.85 1hv4 h ASN 102 Ca 0.36 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.85 1hv4 h ASN 102 Cb 1.38 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.57 1hv4 h ASN 102 CO -0.02 0.55 0.19 -0.26 -1.29 0.00 0.00 177.43 176.60 1hv4 h PHE 103 N 0.00 0.65 -0.00 1.19 0.04 -1.20 -0.20 116.94 117.42 1hv4 h PHE 103 Ca -0.01 -0.04 0.02 0.00 2.80 0.00 0.00 57.97 60.74 1hv4 h PHE 103 Cb 1.29 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 39.23 1hv4 h PHE 103 CO 0.00 0.55 -0.09 -0.09 -0.60 0.00 0.00 178.31 178.08 1hv4 h ARG 104 N 0.56 -0.14 -0.27 1.51 1.12 -1.48 -1.47 114.38 114.21 1hv4 h ARG 104 Ca 0.15 0.01 0.06 0.00 -1.11 0.00 0.00 59.98 59.09 1hv4 h ARG 104 Cb 0.16 0.03 -0.07 0.00 -0.01 0.00 0.00 29.97 30.08 1hv4 h ARG 104 CO -0.01 -0.09 -0.26 -0.07 -3.11 0.00 0.00 179.97 176.42 1hv4 h LEU 105 N -0.15 -0.85 -0.41 3.80 3.38 -0.94 -1.26 115.31 118.89 1hv4 h LEU 105 Ca 0.03 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1hv4 h LEU 105 Cb 0.19 0.40 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1hv4 h LEU 105 CO -0.09 -0.29 0.27 0.25 0.09 0.00 0.00 178.44 178.66 1hv4 h LEU 106 N -0.26 0.47 -0.96 1.67 5.85 -0.93 -2.31 115.31 118.83 1hv4 h LEU 106 Ca 0.14 -0.02 0.14 0.00 0.84 0.00 0.00 57.88 58.98 1hv4 h LEU 106 Cb 0.49 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.31 1hv4 h LEU 106 CO -0.42 0.35 0.58 1.23 -0.34 0.00 0.00 178.44 179.85 1hv4 h GLY 107 N 0.55 1.61 0.84 3.75 0.00 -0.63 0.32 103.07 109.51 1hv4 h GLY 107 Ca 0.15 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1hv4 h GLY 107 CO -0.03 0.08 0.04 -0.55 0.00 0.00 0.00 176.54 176.08 1hv4 h ASP 108 N 0.87 0.24 -0.35 0.19 3.45 -0.73 -2.48 116.42 117.60 1hv4 h ASP 108 Ca 0.50 -0.23 0.03 0.00 0.43 0.00 0.00 57.03 57.77 1hv4 h ASP 108 Cb 0.60 -0.06 -0.03 0.00 -0.56 0.00 0.00 39.33 39.27 1hv4 h ASP 108 CO -0.31 0.40 0.17 0.40 -1.57 0.00 0.00 179.24 178.33 1hv4 h ILE 109 N 0.06 0.97 -0.79 0.35 2.04 -0.80 -1.87 117.51 117.46 1hv4 h ILE 109 Ca 0.05 -0.12 0.18 0.00 1.00 0.00 0.00 64.86 65.98 1hv4 h ILE 109 Cb 0.25 0.59 -0.12 0.00 -0.74 0.00 0.00 36.82 36.80 1hv4 h ILE 109 CO 0.00 0.06 0.17 0.25 0.00 0.00 0.00 178.15 178.64 1hv4 h LEU 110 N 0.34 -0.04 -0.03 1.44 7.12 -0.82 0.42 115.31 123.74 1hv4 h LEU 110 Ca 0.15 0.17 0.01 0.00 0.13 0.00 0.00 57.88 58.34 1hv4 h LEU 110 Cb 0.07 0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 40.43 1hv4 h LEU 110 CO -0.11 -0.09 -0.03 0.40 -0.13 0.00 0.00 178.44 178.48 1hv4 h ILE 111 N 0.23 0.92 -0.72 4.05 1.08 -0.88 -1.76 117.51 120.43 1hv4 h ILE 111 Ca 0.46 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.99 1hv4 h ILE 111 Cb 0.84 0.92 -0.06 0.00 -3.07 0.00 0.00 36.82 35.45 1hv4 h ILE 111 CO -0.58 0.00 0.41 0.40 -0.69 0.00 0.00 178.15 177.69 1hv4 h ILE 112 N -0.03 0.98 -0.09 -0.67 2.04 -0.62 -1.16 117.51 117.96 1hv4 h ILE 112 Ca 0.02 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.64 1hv4 h ILE 112 Cb 0.07 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1hv4 h ILE 112 CO -0.06 0.14 0.00 0.58 0.00 0.00 0.00 178.15 178.81 1hv4 h VAL 113 N 0.74 0.94 -0.62 1.67 2.07 -0.68 -1.96 116.25 118.41 1hv4 h VAL 113 Ca 0.32 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.87 1hv4 h VAL 113 Cb 0.20 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 1hv4 h VAL 113 CO -0.19 0.01 0.36 -0.07 0.02 0.00 0.00 177.57 177.70 1hv4 h LEU 114 N 0.03 0.56 -1.91 2.57 3.38 -0.83 -1.43 115.31 117.69 1hv4 h LEU 114 Ca 0.04 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.12 1hv4 h LEU 114 Cb 0.05 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1hv4 h LEU 114 CO -0.07 0.38 0.27 0.00 0.09 0.00 0.00 178.44 179.11 1hv4 h ALA 115 N 1.30 2.24 0.00 1.53 0.00 -0.65 -0.82 119.26 122.85 1hv4 h ALA 115 Ca 0.26 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1hv4 h ALA 115 Cb 0.10 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1hv4 h ALA 115 CO -0.14 -0.34 -0.33 0.00 0.00 0.00 0.00 179.25 178.44 1hv4 h ALA 116 N 1.80 0.84 0.00 0.00 0.00 -0.54 -2.90 119.26 118.46 1hv4 h ALA 116 Ca 0.18 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 1hv4 h ALA 116 Cb 0.60 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1hv4 h ALA 116 CO -0.02 0.13 -1.76 0.72 0.00 0.00 0.00 179.25 178.32 1hv4 n HIS 117 N -3.03 0.51 -0.10 0.00 -0.00 -0.44 -4.25 115.22 107.91 1hv4 n HIS 117 Ca 0.02 0.17 0.05 0.00 -0.00 0.00 0.00 57.72 57.96 1hv4 n HIS 117 Cb 0.58 -0.92 0.12 0.00 -0.00 0.00 0.00 29.99 29.77 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 -2.69 0.36 0.00 4.41 3.01 -0.46 -5.05 117.46 117.04 1hv4 n PHE 118 Ca -0.13 -0.45 0.00 0.00 1.01 0.00 0.00 57.45 57.87 1hv4 n PHE 118 Cb 0.83 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 40.28 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 0.39 0.00 0.48 4.37 0.00 -1.10 0.01 120.51 124.67 1hv4 n ALA 119 Ca 0.10 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.59 1hv4 n ALA 119 Cb 0.39 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.11 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 9.45 0.09 0.00 0.00 5.02 -1.26 -1.84 118.16 129.62 1hv4 n LYS 120 Ca 0.00 0.23 0.14 0.00 -2.02 0.00 0.00 58.31 56.66 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 -1.38 0.27 -3.00 1.97 2.13 0.10 -4.19 120.64 116.54 1hv4 n GLU 121 Ca 0.04 -0.05 -0.44 0.00 0.66 0.00 0.00 57.16 57.37 1hv4 n GLU 121 Cb 0.11 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.33 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 -1.32 4.01 -1.69 4.31 7.35 -0.77 -4.98 117.46 124.38 1hv4 n PHE 122 Ca 0.10 -3.25 -0.33 0.00 -0.76 0.00 0.00 57.45 53.22 1hv4 n PHE 122 Cb 0.30 -1.73 0.05 0.00 0.35 0.00 0.00 39.48 38.45 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 -0.82 3.30 0.25 -2.13 -4.23 -1.26 -4.69 115.64 106.05 1hv4 s THR 123 Ca 0.35 0.57 -0.05 0.00 -1.18 0.00 0.00 61.69 61.38 1hv4 s THR 123 Cb -0.01 -3.09 0.25 0.00 1.34 0.00 0.00 72.50 70.99 1hv4 s THR 123 CO 0.00 -0.41 1.66 -0.65 -0.54 0.00 0.00 174.62 174.69 1hv4 h PRO 124 N -0.15 0.19 -0.86 3.99 0.11 -1.95 0.51 132.00 133.84 1hv4 h PRO 124 Ca -0.46 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.65 1hv4 h PRO 124 Cb 1.24 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 1hv4 h PRO 124 CO 0.54 0.12 0.56 -0.44 -0.21 0.00 0.00 178.00 178.57 1hv4 h ASP 125 N 0.19 0.96 -0.15 -2.05 5.19 -1.99 -0.19 116.42 118.38 1hv4 h ASP 125 Ca 0.42 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.81 1hv4 h ASP 125 Cb 0.75 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.02 1hv4 h ASP 125 CO -0.58 0.69 0.07 0.00 -3.12 0.00 0.00 179.24 176.29 1hv4 h GLN 127 N 0.10 -0.21 -0.88 0.00 4.15 0.34 -1.46 115.11 117.14 1hv4 h GLN 127 Ca 0.05 0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.62 1hv4 h GLN 127 Cb 0.15 0.05 -0.09 0.00 0.21 0.00 0.00 27.48 27.80 1hv4 h GLN 127 CO -0.01 -0.14 0.49 0.00 -1.93 0.00 0.00 178.83 177.24 1hv4 h ALA 128 N 0.82 1.32 -0.78 3.38 0.00 -0.87 0.66 119.26 123.80 1hv4 h ALA 128 Ca 0.10 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1hv4 h ALA 128 Cb 0.38 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1hv4 h ALA 128 CO -0.28 -0.00 0.46 0.00 0.00 0.00 0.00 179.25 179.42 1hv4 h ALA 129 N 1.54 0.99 -0.08 0.00 0.00 -0.33 -1.13 119.26 120.26 1hv4 h ALA 129 Ca 0.46 -0.10 -0.23 0.00 0.00 0.00 0.00 54.91 55.05 1hv4 h ALA 129 Cb 0.59 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1hv4 h ALA 129 CO -0.33 0.47 -0.87 -1.49 0.00 0.00 0.00 179.25 177.04 1hv4 h TRP 130 N 1.07 0.90 -0.34 0.00 4.06 -0.74 -1.70 115.95 119.20 1hv4 h TRP 130 Ca 0.28 -0.43 0.07 0.00 2.06 0.00 0.00 58.89 60.87 1hv4 h TRP 130 Cb -0.02 -0.12 -0.08 0.00 -1.00 0.00 0.00 29.16 27.94 1hv4 h TRP 130 CO -0.00 1.25 -0.20 1.96 -3.56 0.00 0.00 178.44 177.89 1hv4 h GLN 131 N 0.41 -0.15 0.16 0.49 1.08 -0.57 0.34 115.11 116.87 1hv4 h GLN 131 Ca -0.07 0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.15 1hv4 h GLN 131 Cb 1.49 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.92 1hv4 h GLN 131 CO 0.17 -0.10 -0.27 -0.22 -0.95 0.00 0.00 178.83 177.46 1hv4 h LYS 132 N -0.15 -0.49 0.07 1.46 3.64 -1.13 -0.95 116.57 119.02 1hv4 h LYS 132 Ca 0.17 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1hv4 h LYS 132 Cb 0.41 0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.29 1hv4 h LYS 132 CO -0.43 -0.32 -0.53 1.25 -2.27 0.00 0.00 179.45 177.15 1hv4 h LEU 133 N -0.51 -1.62 -0.91 5.20 5.85 -0.42 0.94 115.31 123.85 1hv4 h LEU 133 Ca 0.02 0.18 0.25 0.00 0.84 0.00 0.00 57.88 59.17 1hv4 h LEU 133 Cb 0.51 0.60 -0.14 0.00 0.37 0.00 0.00 40.66 42.01 1hv4 h LEU 133 CO -0.13 -0.54 0.34 0.58 -0.34 0.00 0.00 178.44 178.34 1hv4 h VAL 134 N -0.72 0.34 -0.07 1.05 2.07 -0.09 0.22 116.25 119.05 1hv4 h VAL 134 Ca 0.00 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 1hv4 h VAL 134 Cb 0.74 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1hv4 h VAL 134 CO -0.32 0.05 -0.30 0.03 0.02 0.00 0.00 177.57 177.05 1hv4 h ARG 135 N 0.27 0.32 0.00 1.57 3.08 -0.41 -2.20 114.38 117.01 1hv4 h ARG 135 Ca 0.59 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 60.38 1hv4 h ARG 135 Cb 1.22 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.32 1hv4 h ARG 135 CO -0.62 0.90 -0.02 -0.24 -1.07 0.00 0.00 179.97 178.91 1hv4 h VAL 136 N -0.18 0.22 0.02 2.04 3.04 0.26 -0.01 116.25 121.64 1hv4 h VAL 136 Ca -0.02 -0.18 -0.00 0.00 -1.01 0.00 0.00 66.70 65.50 1hv4 h VAL 136 Cb 0.95 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.36 1hv4 h VAL 136 CO 0.06 0.02 -0.01 0.58 -1.01 0.00 0.00 177.57 177.22 1hv4 h VAL 137 N 0.00 1.41 -0.47 1.51 2.07 -0.91 -3.04 116.25 116.82 1hv4 h VAL 137 Ca -0.00 -1.93 0.08 0.00 0.82 0.00 0.00 66.70 65.68 1hv4 h VAL 137 Cb 0.14 2.60 -0.03 0.00 -1.52 0.00 0.00 31.29 32.48 1hv4 h VAL 137 CO 0.00 0.45 0.32 0.00 0.02 0.00 0.00 177.57 178.37 1hv4 h ALA 138 N -0.13 2.06 0.00 1.67 0.00 -0.78 0.24 119.26 122.33 1hv4 h ALA 138 Ca -0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1hv4 h ALA 138 Cb 0.76 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1hv4 h ALA 138 CO 0.00 -0.17 -0.34 1.25 0.00 0.00 0.00 179.25 179.99 1hv4 h HIS 139 N 0.29 0.00 0.10 0.00 6.17 -1.09 0.15 115.15 120.76 1hv4 h HIS 139 Ca 0.21 0.00 -0.27 0.00 0.71 0.00 0.00 60.37 61.03 1hv4 h HIS 139 Cb 0.47 0.00 0.01 0.00 2.52 0.00 0.00 27.41 30.41 1hv4 h HIS 139 CO -0.00 0.34 -1.16 0.00 0.71 0.00 0.00 177.93 177.82 1hv4 h ALA 140 N 1.66 0.15 -0.05 5.26 0.00 -0.45 -2.84 119.26 122.99 1hv4 h ALA 140 Ca -0.00 -0.81 -0.05 0.00 0.00 0.00 0.00 54.91 54.05 1hv4 h ALA 140 Cb 0.78 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1hv4 h ALA 140 CO 0.04 0.87 -0.15 -0.07 0.00 0.00 0.00 179.25 179.94 1hv4 h LEU 141 N 0.15 0.21 0.00 0.00 3.38 -0.86 -3.39 115.31 114.80 1hv4 h LEU 141 Ca -0.13 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.22 1hv4 h LEU 141 Cb 1.85 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.54 1hv4 h LEU 141 CO 0.20 0.79 0.00 0.00 0.09 0.00 0.00 178.44 179.52 1hv4 n ALA 142 N -2.45 0.00 0.00 1.53 0.00 0.49 -3.82 120.51 116.26 1hv4 n ALA 142 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1hv4 n ALA 142 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.07 -2.62 116.66 108.96 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 0.20 118.16 120.00 1hv4 n LYS 144 Ca 0.00 0.20 0.11 0.00 0.00 0.00 0.00 58.31 58.62 1hv4 n LYS 144 Cb 0.00 -1.75 -0.05 0.00 0.00 0.00 0.00 35.03 33.23 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 -1.17 0.00 -1.33 5.64 4.01 -1.08 -4.86 117.16 118.37 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 0.25 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 1hv4 n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12