#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 2.87 -0.26 3.52 2.46 -1.26 -5.01 115.29 117.61 1hv4 s HIS 2 Ca 0.00 -0.75 -0.06 0.00 0.47 0.00 0.00 55.06 54.73 1hv4 s HIS 2 Cb 0.00 -1.93 -0.01 0.00 -0.13 0.00 0.00 32.58 30.51 1hv4 s HIS 2 CO 0.00 -0.32 0.04 -1.58 -2.47 0.00 0.00 174.74 170.41 1hv4 s TRP 3 N 0.71 3.07 0.69 3.88 0.52 -1.26 -5.09 118.94 121.46 1hv4 s TRP 3 Ca -0.05 -0.80 -0.16 0.00 0.02 0.00 0.00 56.10 55.12 1hv4 s TRP 3 Cb -0.15 -2.20 0.02 0.00 -1.15 0.00 0.00 33.47 29.99 1hv4 s TRP 3 CO 0.02 -0.50 1.20 -1.54 0.02 0.00 0.00 176.95 176.15 1hv4 s SER 4 N 1.53 4.51 0.55 2.95 1.04 -1.26 -4.84 113.70 118.18 1hv4 s SER 4 Ca 0.05 2.33 0.24 0.00 0.48 0.00 0.00 55.95 59.05 1hv4 s SER 4 Cb -0.16 -2.59 1.50 0.00 0.10 0.00 0.00 66.02 64.87 1hv4 s SER 4 CO 0.01 -2.05 2.11 0.00 0.98 0.00 0.00 173.24 174.29 1hv4 h ALA 5 N 0.00 2.00 0.17 5.32 0.00 -2.00 -1.78 119.26 122.97 1hv4 h ALA 5 Ca -0.48 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.20 1hv4 h ALA 5 Cb 1.29 0.01 0.03 0.00 0.00 0.00 0.00 17.79 19.12 1hv4 h ALA 5 CO 0.51 -0.26 -0.98 1.05 0.00 0.00 0.00 179.25 179.57 1hv4 h GLU 6 N 0.00 0.37 -0.81 0.00 9.09 -1.99 -2.79 114.58 118.46 1hv4 h GLU 6 Ca 0.09 -0.62 0.19 0.00 0.05 0.00 0.00 59.36 59.07 1hv4 h GLU 6 Cb 0.41 0.23 -0.14 0.00 -1.65 0.00 0.00 28.75 27.60 1hv4 h GLU 6 CO -0.00 1.30 0.06 0.93 0.05 0.00 0.00 179.01 181.35 1hv4 h GLU 7 N -0.23 0.12 0.04 1.06 5.08 -1.68 0.93 114.58 119.90 1hv4 h GLU 7 Ca -0.17 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1hv4 h GLU 7 Cb 1.77 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.00 1hv4 h GLU 7 CO 0.19 0.08 -0.02 0.87 -1.00 0.00 0.00 179.01 179.13 1hv4 h LYS 8 N 0.13 -0.05 0.02 2.33 1.57 -1.53 -1.67 116.57 117.38 1hv4 h LYS 8 Ca 0.46 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.27 1hv4 h LYS 8 Cb 0.86 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.12 1hv4 h LYS 8 CO -0.68 0.09 -0.51 0.37 -0.57 0.00 0.00 179.45 178.15 1hv4 h GLN 9 N -0.18 -0.65 -0.84 3.15 4.15 -0.12 0.58 115.11 121.21 1hv4 h GLN 9 Ca -0.00 0.04 0.21 0.00 0.77 0.00 0.00 58.65 59.67 1hv4 h GLN 9 Cb 0.16 0.15 -0.14 0.00 0.21 0.00 0.00 27.48 27.86 1hv4 h GLN 9 CO 0.01 -0.43 0.19 -0.07 -1.93 0.00 0.00 178.83 176.60 1hv4 h LEU 10 N -0.67 -0.05 0.19 -2.39 -0.00 0.77 -1.73 115.31 111.43 1hv4 h LEU 10 Ca 0.02 0.19 -0.01 0.00 -0.00 0.00 0.00 57.88 58.08 1hv4 h LEU 10 Cb 0.72 0.27 0.00 0.00 -0.00 0.00 0.00 40.66 41.65 1hv4 h LEU 10 CO -0.34 -0.14 -0.09 0.40 -0.00 0.00 0.00 178.44 178.27 1hv4 h ILE 11 N 0.21 0.77 -0.17 1.22 2.04 -0.40 -3.17 117.51 118.01 1hv4 h ILE 11 Ca 0.51 -1.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 1hv4 h ILE 11 Cb 0.99 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 1hv4 h ILE 11 CO -0.64 0.19 -0.08 0.71 0.00 0.00 0.00 178.15 178.33 1hv4 h THR 12 N -0.87 1.16 0.68 -0.27 1.35 -0.74 -0.79 112.91 113.44 1hv4 h THR 12 Ca -0.03 -0.68 -0.03 0.00 -0.55 0.00 0.00 66.41 65.12 1hv4 h THR 12 Cb 0.51 1.13 0.01 0.00 -1.73 0.00 0.00 68.15 68.07 1hv4 h THR 12 CO 0.04 0.22 -0.33 1.23 -0.25 0.00 0.00 175.52 176.43 1hv4 h GLY 13 N 0.67 -0.96 0.48 5.82 0.00 -1.44 -2.67 103.07 104.97 1hv4 h GLY 13 Ca 0.05 0.36 0.15 0.00 0.00 0.00 0.00 47.33 47.89 1hv4 h GLY 13 CO 0.02 -0.35 0.58 -2.00 0.00 0.00 0.00 176.54 174.79 1hv4 h LEU 14 N -1.17 0.65 -0.38 3.11 5.85 -1.50 -0.78 115.31 121.08 1hv4 h LEU 14 Ca -0.09 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.74 1hv4 h LEU 14 Cb 0.73 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.61 1hv4 h LEU 14 CO 0.15 0.32 -0.03 -0.25 -0.34 0.00 0.00 178.44 178.29 1hv4 h TRP 15 N 0.68 -0.08 -0.48 1.25 -0.00 -1.00 -1.28 115.95 115.04 1hv4 h TRP 15 Ca 0.46 0.03 0.14 0.00 -0.00 0.00 0.00 58.89 59.52 1hv4 h TRP 15 Cb 0.76 0.09 -0.02 0.00 -0.00 0.00 0.00 29.16 30.00 1hv4 h TRP 15 CO -0.00 -0.10 0.37 0.78 -0.00 0.00 0.00 178.44 179.48 1hv4 h GLY 16 N 0.07 0.00 1.31 2.65 0.00 -0.79 -2.10 103.07 104.20 1hv4 h GLY 16 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.23 1hv4 h GLY 16 CO -0.34 0.00 -1.48 0.50 0.00 0.00 0.00 176.54 175.22 1hv4 h LYS 17 N 0.00 0.19 -6.26 4.80 6.56 -1.27 -3.48 116.57 117.12 1hv4 h LYS 17 Ca 0.23 -0.33 -0.68 0.00 -1.06 0.00 0.00 60.65 58.81 1hv4 h LYS 17 Cb 0.96 0.12 0.03 0.00 -0.57 0.00 0.00 32.23 32.78 1hv4 h LYS 17 CO -0.00 1.04 0.79 0.28 -2.06 0.00 0.00 179.45 179.49 1hv4 n VAL 18 N -3.40 0.22 -3.01 0.50 0.31 -0.79 -4.92 118.33 107.24 1hv4 n VAL 18 Ca -0.14 -0.04 -0.44 0.00 -0.01 0.00 0.00 64.34 63.70 1hv4 n VAL 18 Cb 1.03 -1.27 -0.03 0.00 -0.91 0.00 0.00 33.84 32.67 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 2.33 6.62 0.54 4.52 3.84 -1.26 -4.88 114.94 126.64 1hv4 s ASN 19 Ca 0.90 -2.11 0.29 0.00 0.21 0.00 0.00 52.86 52.16 1hv4 s ASN 19 Cb -0.91 -2.36 1.46 0.00 -0.55 0.00 0.00 41.25 38.89 1hv4 s ASN 19 CO 0.53 -0.98 1.93 -0.37 -2.79 0.00 0.00 177.10 175.41 1hv4 h VAL 20 N 5.64 0.60 0.77 -5.21 -1.51 -1.95 -2.03 116.25 112.55 1hv4 h VAL 20 Ca 0.11 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.54 1hv4 h VAL 20 Cb 1.03 0.62 0.01 0.00 -2.13 0.00 0.00 31.29 30.82 1hv4 h VAL 20 CO 1.04 0.00 -0.37 0.00 -1.23 0.00 0.00 177.57 177.01 1hv4 h ALA 21 N 1.61 -1.03 -0.03 5.19 0.00 -1.90 0.15 119.26 123.25 1hv4 h ALA 21 Ca 0.35 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1hv4 h ALA 21 Cb 1.44 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 1hv4 h ALA 21 CO -0.00 -1.01 -0.01 -0.44 0.00 0.00 0.00 179.25 177.79 1hv4 h ASP 22 N -1.17 0.05 0.05 0.00 5.19 -1.88 -2.76 116.42 115.89 1hv4 h ASP 22 Ca -0.11 -0.39 -0.00 0.00 -0.62 0.00 0.00 57.03 55.91 1hv4 h ASP 22 Cb 0.81 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.30 1hv4 h ASP 22 CO 0.17 0.44 -0.02 0.00 -3.12 0.00 0.00 179.24 176.71 1hv4 h GLY 24 N -0.06 1.62 0.49 0.00 0.00 -1.03 0.79 103.07 104.87 1hv4 h GLY 24 Ca -0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1hv4 h GLY 24 CO 0.01 0.17 -0.04 0.00 0.00 0.00 0.00 176.54 176.68 1hv4 h ALA 25 N 1.53 0.03 -0.66 3.60 0.00 -1.26 -2.44 119.26 120.06 1hv4 h ALA 25 Ca 0.49 -0.30 0.13 0.00 0.00 0.00 0.00 54.91 55.23 1hv4 h ALA 25 Cb 0.46 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.16 1hv4 h ALA 25 CO -0.26 -0.15 0.18 1.49 0.00 0.00 0.00 179.25 180.51 1hv4 h GLU 26 N -0.47 0.31 0.72 0.00 4.57 -0.64 -1.72 114.58 117.34 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 0.61 -0.07 0.01 0.00 -0.16 0.00 0.00 28.75 29.13 1hv4 h GLU 26 CO 0.01 0.20 -0.34 0.00 -1.18 0.00 0.00 179.01 177.70 1hv4 h ALA 27 N 1.52 -1.05 -0.63 2.92 0.00 -0.81 -1.82 119.26 119.40 1hv4 h ALA 27 Ca 0.36 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.16 1hv4 h ALA 27 Cb 0.54 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1hv4 h ALA 27 CO -0.42 -0.98 0.42 1.25 0.00 0.00 0.00 179.25 179.52 1hv4 h LEU 28 N -1.15 0.37 0.92 0.00 5.85 -1.38 -0.68 115.31 119.23 1hv4 h LEU 28 Ca -0.10 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 1hv4 h LEU 28 Cb 0.74 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.71 1hv4 h LEU 28 CO 0.16 0.22 -0.44 0.00 -0.34 0.00 0.00 178.44 178.04 1hv4 h ALA 29 N 1.69 -1.29 -0.96 1.25 0.00 -1.28 -2.34 119.26 116.32 1hv4 h ALA 29 Ca 0.29 -0.27 0.19 0.00 0.00 0.00 0.00 54.91 55.13 1hv4 h ALA 29 Cb 0.60 0.48 -0.09 0.00 0.00 0.00 0.00 17.79 18.78 1hv4 h ALA 29 CO -0.08 -1.20 0.61 0.00 0.00 0.00 0.00 179.25 178.58 1hv4 h ARG 30 N -1.27 0.60 0.19 0.00 3.08 -0.44 0.22 114.38 116.75 1hv4 h ARG 30 Ca -0.13 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 1hv4 h ARG 30 Cb 0.95 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1hv4 h ARG 30 CO 0.21 0.39 -0.09 1.25 -1.07 0.00 0.00 179.97 180.66 1hv4 h LEU 31 N 0.61 -0.22 -1.04 3.04 5.85 -1.01 0.33 115.31 122.88 1hv4 h LEU 31 Ca 0.53 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 59.24 1hv4 h LEU 31 Cb 1.01 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 1hv4 h LEU 31 CO -0.28 -0.13 0.63 -0.07 -0.34 0.00 0.00 178.44 178.25 1hv4 h LEU 32 N -0.28 1.11 -0.18 2.25 3.38 -0.59 -1.52 115.31 119.48 1hv4 h LEU 32 Ca -0.03 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 1hv4 h LEU 32 Cb 0.22 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1hv4 h LEU 32 CO 0.04 0.81 -0.38 0.40 0.09 0.00 0.00 178.44 179.41 1hv4 h ILE 33 N 1.31 1.34 0.03 1.22 2.04 -0.68 -3.19 117.51 119.58 1hv4 h ILE 33 Ca 0.35 -1.62 -0.21 0.00 1.00 0.00 0.00 64.86 64.38 1hv4 h ILE 33 Cb -0.14 1.93 0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1hv4 h ILE 33 CO -0.07 0.50 -0.85 0.58 0.00 0.00 0.00 178.15 178.30 1hv4 h VAL 34 N 0.22 1.37 -2.68 1.67 2.07 -0.89 -3.38 116.25 114.63 1hv4 h VAL 34 Ca 0.00 -2.22 -0.65 0.00 0.82 0.00 0.00 66.70 64.65 1hv4 h VAL 34 Cb 0.98 2.59 -0.39 0.00 -1.52 0.00 0.00 31.29 32.95 1hv4 h VAL 34 CO 0.08 0.66 -0.32 -1.22 0.02 0.00 0.00 177.57 176.80 1hv4 n TYR 35 N -4.04 3.50 -0.30 1.57 4.01 -0.58 -4.97 117.16 116.36 1hv4 n TYR 35 Ca -0.11 -3.99 0.17 0.00 -0.16 0.00 0.00 57.90 53.81 1hv4 n TYR 35 Cb 0.80 -0.77 0.33 0.00 -0.31 0.00 0.00 39.34 39.39 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 1.40 -0.07 0.14 -0.72 -0.02 -1.20 -1.41 135.00 133.13 1hv4 n PRO 36 Ca 0.26 1.29 0.19 0.00 -2.02 0.00 0.00 63.50 63.21 1hv4 n PRO 36 Cb 0.38 -2.12 0.78 0.00 -0.02 0.00 0.00 33.50 32.52 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 -0.54 115.95 119.57 1hv4 h TRP 37 Ca 0.59 0.00 -0.01 0.00 0.09 0.00 0.00 58.89 59.57 1hv4 h TRP 37 Cb 1.35 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 30.59 1hv4 h TRP 37 CO -0.32 0.00 -0.03 1.79 0.09 0.00 0.00 178.44 179.97 1hv4 h THR 38 N 0.00 0.28 -0.44 0.12 1.35 -1.57 -2.40 112.91 110.24 1hv4 h THR 38 Ca 0.14 -0.17 0.12 0.00 -0.55 0.00 0.00 66.41 65.96 1hv4 h THR 38 Cb 0.78 1.12 -0.02 0.00 -1.73 0.00 0.00 68.15 68.31 1hv4 h THR 38 CO -0.00 0.03 0.31 1.56 -0.25 0.00 0.00 175.52 177.17 1hv4 h GLN 39 N 0.00 0.07 -0.97 4.72 4.20 -1.30 -2.37 115.11 119.46 1hv4 h GLN 39 Ca -0.00 -0.00 0.21 0.00 0.06 0.00 0.00 58.65 58.91 1hv4 h GLN 39 Cb 0.12 -0.02 -0.09 0.00 0.30 0.00 0.00 27.48 27.80 1hv4 h GLN 39 CO 0.00 0.05 0.62 -0.09 -0.67 0.00 0.00 178.83 178.74 1hv4 h ARG 40 N 0.07 0.52 0.00 1.46 2.43 -1.63 0.69 114.38 117.92 1hv4 h ARG 40 Ca 0.21 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1hv4 h ARG 40 Cb 0.74 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1hv4 h ARG 40 CO -0.02 0.35 0.00 1.19 -1.51 0.00 0.00 179.97 179.98 1hv4 n PHE 41 N -4.62 0.00 -2.10 2.20 3.01 -0.89 -3.61 117.46 111.45 1hv4 n PHE 41 Ca 0.22 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.52 1hv4 n PHE 41 Cb 0.68 -0.22 0.05 0.00 -0.01 0.00 0.00 39.48 39.98 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 -1.22 2.06 0.28 1.38 3.01 0.23 -4.78 117.46 118.42 1hv4 n PHE 42 Ca 0.15 -2.05 0.13 0.00 1.01 0.00 0.00 57.45 56.69 1hv4 n PHE 42 Cb 0.20 -0.30 0.81 0.00 -0.01 0.00 0.00 39.48 40.18 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 2.04 0.00 0.00 4.37 4.64 -1.61 -1.83 113.55 121.16 1hv4 h SER 43 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 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 -3.96 0.00 -1.13 4.97 3.41 -1.26 -3.30 113.62 112.36 1hv4 n SER 44 Ca -0.03 -1.54 0.09 0.00 -0.26 0.00 0.00 58.87 57.13 1hv4 n SER 44 Cb 0.12 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.34 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 -0.54 0.87 -1.74 7.33 0.99 -0.69 -5.06 117.46 118.61 1hv4 n PHE 45 Ca 0.02 -0.52 0.00 0.00 -0.00 0.00 0.00 57.45 56.94 1hv4 n PHE 45 Cb 0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 39.48 38.44 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 1.57 3.73 1.37 0.00 -1.21 -4.80 105.19 107.01 1hv4 n GLY 46 Ca 0.20 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 -4.81 114.94 115.75 1hv4 s ASN 47 Ca 0.00 2.44 0.13 0.00 0.42 0.00 0.00 52.86 55.85 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 -0.63 1.07 0.18 -3.72 0.00 0.00 177.10 174.00 1hv4 n LEU 48 N 3.18 0.12 0.19 3.21 4.77 -1.26 -4.77 117.00 122.44 1hv4 n LEU 48 Ca 0.09 -1.92 0.06 0.00 -0.03 0.00 0.00 56.01 54.20 1hv4 n LEU 48 Cb 0.42 0.00 0.52 0.00 -2.33 0.00 0.00 43.42 42.03 1hv4 n LEU 48 CO 0.59 0.91 0.99 -1.28 -1.33 0.00 0.00 177.39 177.27 1hv4 h SER 49 N 0.52 0.10 -5.18 -1.43 0.87 -1.88 -3.46 113.55 103.09 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 1.65 -0.03 -0.14 0.00 -0.44 0.00 0.00 62.40 63.45 1hv4 h SER 49 CO -0.06 0.17 -0.38 -0.94 -0.53 0.00 0.00 176.83 175.08 1hv4 s SER 50 N -6.97 0.13 0.03 6.23 1.04 -1.26 -5.00 113.70 107.90 1hv4 s SER 50 Ca -0.05 -0.70 -0.09 0.00 0.48 0.00 0.00 55.95 55.59 1hv4 s SER 50 Cb 0.16 0.34 -0.03 0.00 0.10 0.00 0.00 66.02 66.59 1hv4 s SER 50 CO 0.70 -0.74 1.14 -0.65 0.98 0.00 0.00 173.24 174.67 1hv4 h PRO 51 N 2.75 -0.15 -0.29 4.02 0.11 -1.99 0.10 132.00 136.56 1hv4 h PRO 51 Ca -0.34 0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.87 1hv4 h PRO 51 Cb 1.20 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1hv4 h PRO 51 CO 0.56 -0.10 0.33 0.00 -0.21 0.00 0.00 178.00 178.58 1hv4 h THR 52 N -0.15 0.40 0.00 -1.15 1.03 -2.00 0.95 112.91 111.99 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 0.18 0.74 0.00 0.00 -1.07 0.00 0.00 68.15 67.99 1hv4 h THR 52 CO -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 175.40 1hv4 h ALA 53 N 1.62 1.00 0.10 0.00 0.00 -1.28 -3.26 119.26 117.43 1hv4 h ALA 53 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.68 1hv4 h ALA 53 Cb 0.79 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1hv4 h ALA 53 CO -0.00 0.00 -2.03 -0.89 0.00 0.00 0.00 179.25 176.33 1hv4 n ILE 54 N -2.38 1.73 -0.30 0.00 5.41 0.33 -3.50 119.36 120.65 1hv4 n ILE 54 Ca 0.04 -0.60 0.05 0.00 1.00 0.00 0.00 62.75 63.24 1hv4 n ILE 54 Cb 0.36 -1.71 0.20 0.00 -0.71 0.00 0.00 39.64 37.78 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 -0.02 0.64 -0.43 1.39 -0.00 -1.50 -2.49 115.31 112.91 1hv4 h LEU 55 Ca -0.44 0.07 -0.18 0.00 -0.00 0.00 0.00 57.88 57.32 1hv4 h LEU 55 Cb 1.97 -0.05 -0.00 0.00 -0.00 0.00 0.00 40.66 42.57 1hv4 h LEU 55 CO 0.04 0.33 -0.66 1.23 -0.00 0.00 0.00 178.44 179.38 1hv4 h GLY 56 N 0.74 0.56 -6.69 0.83 0.00 -1.73 -3.45 103.07 93.33 1hv4 h GLY 56 Ca 0.44 -0.72 -0.73 0.00 0.00 0.00 0.00 47.33 46.31 1hv4 h GLY 56 CO -0.30 0.65 1.13 -2.01 0.00 0.00 0.00 176.54 176.01 1hv4 n ASN 57 N -3.90 1.97 0.19 0.19 4.05 -0.94 -4.79 115.26 112.02 1hv4 n ASN 57 Ca -0.04 0.80 0.14 0.00 0.45 0.00 0.00 54.58 55.93 1hv4 n ASN 57 Cb 0.67 -1.12 0.59 0.00 1.23 0.00 0.00 39.78 41.14 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 9.06 0.00 0.17 1.20 0.13 -1.88 -1.87 132.00 138.81 1hv4 h PRO 58 Ca -0.34 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.49 1hv4 h PRO 58 Cb 1.34 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.48 1hv4 h PRO 58 CO 1.00 0.00 -1.36 0.52 -0.23 0.00 0.00 178.00 177.93 1hv4 h MET 59 N 0.00 0.36 0.28 0.86 2.86 -1.92 -0.49 114.93 116.88 1hv4 h MET 59 Ca 0.00 -0.61 -0.01 0.00 -2.06 0.00 0.00 59.70 57.02 1hv4 h MET 59 Cb 0.37 0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.26 1hv4 h MET 59 CO 0.00 1.28 -0.13 0.28 1.06 0.00 0.00 176.91 179.40 1hv4 h VAL 60 N 0.10 0.75 -0.75 -2.22 2.07 -1.80 -1.25 116.25 113.15 1hv4 h VAL 60 Ca -0.19 -0.54 0.06 0.00 0.82 0.00 0.00 66.70 66.85 1hv4 h VAL 60 Cb 2.04 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 32.80 1hv4 h VAL 60 CO 0.22 0.11 0.44 0.03 0.02 0.00 0.00 177.57 178.39 1hv4 h ARG 61 N -0.68 0.77 0.66 1.57 3.08 -1.42 0.36 114.38 118.73 1hv4 h ARG 61 Ca -0.04 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 1hv4 h ARG 61 Cb 0.47 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.35 1hv4 h ARG 61 CO 0.06 0.51 -0.32 0.00 -1.07 0.00 0.00 179.97 179.16 1hv4 h ALA 62 N 1.38 -0.88 -0.69 0.04 0.00 -1.03 -2.69 119.26 115.39 1hv4 h ALA 62 Ca 0.34 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1hv4 h ALA 62 Cb 0.20 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1hv4 h ALA 62 CO -0.18 -0.95 0.46 1.25 0.00 0.00 0.00 179.25 179.82 1hv4 h HIS 63 N -0.97 0.84 -0.28 0.00 -0.00 -1.00 -1.95 115.15 111.78 1hv4 h HIS 63 Ca -0.09 0.02 0.06 0.00 -0.00 0.00 0.00 60.37 60.36 1hv4 h HIS 63 Cb 0.70 -0.28 -0.06 0.00 -0.00 0.00 0.00 27.41 27.77 1hv4 h HIS 63 CO -0.01 0.51 -0.13 0.78 -0.00 0.00 0.00 177.93 179.07 1hv4 h GLY 64 N 0.88 0.10 1.84 5.26 0.00 -0.13 0.20 103.07 111.23 1hv4 h GLY 64 Ca 0.27 0.17 -0.11 0.00 0.00 0.00 0.00 47.33 47.66 1hv4 h GLY 64 CO -0.07 -0.15 -0.43 0.07 0.00 0.00 0.00 176.54 175.96 1hv4 h LYS 65 N -0.09 0.18 -0.31 4.80 2.10 -1.10 -2.23 116.57 119.93 1hv4 h LYS 65 Ca 0.15 -0.09 -0.03 0.00 -2.00 0.00 0.00 60.65 58.68 1hv4 h LYS 65 Cb 0.31 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.63 1hv4 h LYS 65 CO -0.34 0.58 0.09 -0.22 -2.00 0.00 0.00 179.45 177.56 1hv4 h LYS 66 N 0.15 0.49 -0.71 0.07 3.64 -0.50 -1.13 116.57 118.58 1hv4 h LYS 66 Ca 0.01 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1hv4 h LYS 66 Cb 0.83 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.54 1hv4 h LYS 66 CO 0.06 0.54 0.47 0.28 -2.27 0.00 0.00 179.45 178.53 1hv4 h VAL 67 N 0.34 1.17 -0.24 2.00 2.07 -0.45 -2.99 116.25 118.15 1hv4 h VAL 67 Ca 0.10 -0.33 -0.14 0.00 0.82 0.00 0.00 66.70 67.16 1hv4 h VAL 67 Cb 0.26 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1hv4 h VAL 67 CO -0.00 0.17 -0.42 0.25 0.02 0.00 0.00 177.57 177.59 1hv4 h LEU 68 N 0.95 0.62 -0.92 2.57 5.85 -1.16 -2.78 115.31 120.43 1hv4 h LEU 68 Ca 0.27 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1hv4 h LEU 68 Cb -0.09 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.77 1hv4 h LEU 68 CO -0.07 0.96 0.00 0.71 -0.34 0.00 0.00 178.44 179.70 1hv4 h THR 69 N 0.48 0.00 -0.31 1.05 1.35 -1.09 -1.93 112.91 112.46 1hv4 h THR 69 Ca 0.04 -0.30 -0.10 0.00 -0.55 0.00 0.00 66.41 65.50 1hv4 h THR 69 Cb 0.93 1.09 -0.01 0.00 -1.73 0.00 0.00 68.15 68.43 1hv4 h THR 69 CO 0.08 0.00 -0.23 0.77 -0.25 0.00 0.00 175.52 175.89 1hv4 h SER 70 N 0.00 0.61 0.04 5.36 4.64 -1.35 0.12 113.55 122.96 1hv4 h SER 70 Ca 0.00 -0.21 -0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1hv4 h SER 70 Cb 0.39 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 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 0.53 0.00 -0.53 4.77 -1.00 -1.44 0.88 116.94 120.14 1hv4 h PHE 71 Ca 0.08 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.87 1hv4 h PHE 71 Cb 0.68 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.21 1hv4 h PHE 71 CO 0.03 0.00 0.35 0.78 -1.61 0.00 0.00 178.31 177.86 1hv4 h GLY 72 N 0.08 0.74 2.00 -1.45 0.00 -0.82 0.57 103.07 104.18 1hv4 h GLY 72 Ca -0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 1hv4 h GLY 72 CO 0.00 0.26 -0.19 -0.55 0.00 0.00 0.00 176.54 176.06 1hv4 h ASP 73 N 0.69 0.00 0.39 0.19 3.32 -0.88 -2.18 116.42 117.95 1hv4 h ASP 73 Ca 0.20 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 1hv4 h ASP 73 Cb -0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1hv4 h ASP 73 CO -0.05 0.19 -0.19 0.00 -1.72 0.00 0.00 179.24 177.47 1hv4 h ALA 74 N 1.81 -0.53 -0.29 3.45 0.00 -0.81 -2.98 119.26 119.91 1hv4 h ALA 74 Ca -0.00 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.82 1hv4 h ALA 74 Cb 1.03 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1hv4 h ALA 74 CO 0.02 -0.55 0.32 0.28 0.00 0.00 0.00 179.25 179.32 1hv4 h VAL 75 N -1.03 0.43 -0.59 0.00 2.07 -1.04 -2.33 116.25 113.77 1hv4 h VAL 75 Ca -0.05 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.59 1hv4 h VAL 75 Cb 0.52 0.75 -0.10 0.00 -1.52 0.00 0.00 31.29 30.94 1hv4 h VAL 75 CO 0.09 0.00 0.01 0.50 0.02 0.00 0.00 177.57 178.19 1hv4 h LYS 76 N 0.00 0.12 -1.19 1.57 1.63 -1.23 -3.36 116.57 114.12 1hv4 h LYS 76 Ca 0.14 -0.01 -0.30 0.00 -0.85 0.00 0.00 60.65 59.63 1hv4 h LYS 76 Cb 0.77 -0.03 -0.23 0.00 -0.60 0.00 0.00 32.23 32.15 1hv4 h LYS 76 CO -0.00 0.08 -0.66 0.27 -3.45 0.00 0.00 179.45 175.69 1hv4 n ASN 77 N -5.26 -2.36 0.00 4.20 0.23 -0.90 -5.00 115.26 106.17 1hv4 n ASN 77 Ca 0.08 -2.86 0.00 0.00 -0.53 0.00 0.00 54.58 51.28 1hv4 n ASN 77 Cb 0.33 1.04 0.00 0.00 -2.08 0.00 0.00 39.78 39.07 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 2.51 0.00 -2.12 -4.53 4.77 -1.09 -0.65 117.00 115.89 1hv4 n LEU 78 Ca 0.19 0.09 -0.27 0.00 -0.03 0.00 0.00 56.01 55.99 1hv4 n LEU 78 Cb 0.55 -0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.59 1hv4 n LEU 78 CO 0.03 -0.09 0.49 0.47 -1.33 0.00 0.00 177.39 176.96 1hv4 n ASP 79 N -0.93 5.59 -0.16 -1.43 8.00 -1.26 -4.56 116.55 121.80 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 0.13 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 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 -0.75 0.00 -0.18 -2.24 5.15 0.17 -5.00 115.26 112.42 1hv4 n ASN 80 Ca 0.48 -0.77 -0.01 0.00 -0.60 0.00 0.00 54.58 53.69 1hv4 n ASN 80 Cb 0.88 0.00 0.09 0.00 -0.53 0.00 0.00 39.78 40.21 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 2.94 0.68 -0.16 -1.44 2.04 -1.80 -2.36 117.51 117.40 1hv4 h ILE 81 Ca 0.00 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 65.82 1hv4 h ILE 81 Cb 0.77 0.41 -0.07 0.00 -0.74 0.00 0.00 36.82 37.19 1hv4 h ILE 81 CO 0.00 0.05 -0.40 0.50 0.00 0.00 0.00 178.15 178.29 1hv4 h LYS 82 N 0.25 -0.44 -0.04 2.37 3.11 -1.94 -1.50 116.57 118.39 1hv4 h LYS 82 Ca 0.28 0.03 -0.06 0.00 -2.81 0.00 0.00 60.65 58.09 1hv4 h LYS 82 Cb 0.40 0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.72 1hv4 h LYS 82 CO -0.37 -0.29 -0.25 -0.91 -2.81 0.00 0.00 179.45 174.83 1hv4 h ASN 83 N -0.46 0.07 0.74 4.20 4.21 -1.93 -2.33 115.58 120.08 1hv4 h ASN 83 Ca 0.09 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.58 1hv4 h ASN 83 Cb 0.61 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.79 1hv4 h ASN 83 CO -0.41 0.32 -0.08 0.35 -1.29 0.00 0.00 177.43 176.32 1hv4 n THR 84 N -4.22 0.00 -0.15 2.81 -2.24 -0.86 -3.77 114.28 105.85 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 0.32 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 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 -0.13 4.78 3.01 -0.62 -4.77 117.46 118.36 1hv4 n PHE 85 Ca 0.10 -0.21 -0.04 0.00 1.01 0.00 0.00 57.45 58.31 1hv4 n PHE 85 Cb 0.31 -0.02 0.04 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 0.40 -0.05 4.37 0.00 -1.52 0.82 119.26 123.27 1hv4 h ALA 86 Ca 0.00 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1hv4 h ALA 86 Cb 0.32 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1hv4 h ALA 86 CO 0.00 -0.39 -0.16 -0.56 0.00 0.00 0.00 179.25 178.14 1hv4 h GLN 87 N 0.11 0.08 -0.05 0.00 -0.00 -1.86 0.63 115.11 114.03 1hv4 h GLN 87 Ca 0.21 -0.02 -0.21 0.00 -0.00 0.00 0.00 58.65 58.64 1hv4 h GLN 87 Cb 0.30 -0.01 0.00 0.00 -0.00 0.00 0.00 27.48 27.77 1hv4 h GLN 87 CO -0.35 0.24 -0.84 -0.07 -0.00 0.00 0.00 178.83 177.81 1hv4 h LEU 88 N 0.07 0.56 -0.49 0.06 -0.00 -1.11 -3.13 115.31 111.28 1hv4 h LEU 88 Ca 0.01 -0.41 -0.16 0.00 -0.00 0.00 0.00 57.88 57.32 1hv4 h LEU 88 Cb 0.34 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 40.82 1hv4 h LEU 88 CO 0.02 1.18 -0.52 0.77 -0.00 0.00 0.00 178.44 179.89 1hv4 h SER 89 N 0.28 0.70 -0.42 -0.43 4.64 0.12 -3.00 113.55 115.45 1hv4 h SER 89 Ca -0.06 -0.37 0.07 0.00 -0.47 0.00 0.00 61.79 60.97 1hv4 h SER 89 Cb 1.45 -0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 63.28 1hv4 h SER 89 CO 0.15 1.10 0.05 -0.08 -0.87 0.00 0.00 176.83 177.18 1hv4 h GLU 90 N 0.50 0.17 -0.05 4.77 4.81 -0.85 0.17 114.58 124.10 1hv4 h GLU 90 Ca 0.02 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.03 1hv4 h GLU 90 Cb 1.08 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.43 1hv4 h GLU 90 CO 0.10 0.11 -0.76 1.37 -0.73 0.00 0.00 179.01 179.11 1hv4 h LEU 91 N 0.17 0.76 -1.96 1.64 8.10 -1.61 0.45 115.31 122.86 1hv4 h LEU 91 Ca 0.21 -0.70 -0.02 0.00 0.11 0.00 0.00 57.88 57.47 1hv4 h LEU 91 Cb 0.27 -0.23 -0.00 0.00 -0.44 0.00 0.00 40.66 40.26 1hv4 h LEU 91 CO -0.30 1.35 -0.11 0.45 -4.11 0.00 0.00 178.44 175.73 1hv4 h HIS 92 N 0.23 0.00 0.00 0.17 3.86 -1.36 0.47 115.15 118.53 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 1.42 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.89 1hv4 h HIS 92 CO 0.11 0.11 -0.91 0.00 0.86 0.00 0.00 177.93 178.11 1hv4 h ASP 94 N -1.00 0.16 0.00 0.00 3.45 -1.04 -3.19 116.42 114.80 1hv4 h ASP 94 Ca -0.00 -0.16 0.00 0.00 0.43 0.00 0.00 57.03 57.30 1hv4 h ASP 94 Cb 0.90 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.62 1hv4 h ASP 94 CO -0.00 1.09 0.00 1.17 -1.57 0.00 0.00 179.24 179.93 1hv4 n LYS 95 N -3.46 0.00 0.12 3.56 3.00 -0.57 -4.65 118.16 116.15 1hv4 n LYS 95 Ca -0.03 0.04 0.02 0.00 -0.00 0.00 0.00 58.31 58.34 1hv4 n LYS 95 Cb 0.93 -0.33 0.37 0.00 0.00 0.00 0.00 35.03 36.01 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 0.23 -1.10 3.14 -0.00 -0.29 -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 -0.06 0.10 0.00 -0.00 0.00 0.00 40.66 40.70 1hv4 h LEU 96 CO 0.00 0.40 -0.47 1.41 -0.00 0.00 0.00 178.44 179.78 1hv4 n HIS 97 N -4.25 -1.84 -2.17 1.13 8.25 -0.82 -4.96 115.22 110.56 1hv4 n HIS 97 Ca -0.01 0.67 -0.41 0.00 -0.26 0.00 0.00 57.72 57.71 1hv4 n HIS 97 Cb 0.29 -3.80 -0.03 0.00 1.12 0.00 0.00 29.99 27.56 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 -3.22 3.04 0.06 1.59 1.01 0.21 -4.95 120.40 118.14 1hv4 s VAL 98 Ca 0.30 0.89 -0.31 0.00 0.00 0.00 0.00 61.98 62.87 1hv4 s VAL 98 Cb -0.13 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 1hv4 s VAL 98 CO 0.49 0.15 1.19 -0.62 0.00 0.00 0.00 175.10 176.31 1hv4 s ASP 99 N 0.20 7.09 0.54 3.32 2.15 -1.26 -4.81 116.67 123.89 1hv4 s ASP 99 Ca 0.56 2.00 0.43 0.00 0.43 0.00 0.00 52.55 55.96 1hv4 s ASP 99 Cb -0.38 -2.58 1.63 0.00 -0.30 0.00 0.00 42.92 41.29 1hv4 s ASP 99 CO 0.41 -0.47 1.67 -0.65 -0.17 0.00 0.00 175.17 175.96 1hv4 h PRO 100 N 6.82 0.02 -0.44 4.34 0.11 -1.96 0.18 132.00 141.06 1hv4 h PRO 100 Ca -0.41 -0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.82 1hv4 h PRO 100 Cb 1.21 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1hv4 h PRO 100 CO 0.81 0.01 0.41 0.93 -0.21 0.00 0.00 178.00 179.95 1hv4 h GLU 101 N 0.02 0.00 0.00 1.05 4.39 -2.01 -0.56 114.58 117.47 1hv4 h GLU 101 Ca 0.78 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 60.33 1hv4 h GLU 101 Cb 3.04 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 31.67 1hv4 h GLU 101 CO -0.06 0.00 -0.70 -0.91 -1.16 0.00 0.00 179.01 176.19 1hv4 h ASN 102 N 0.00 0.00 -0.41 1.42 4.21 -1.33 -2.68 115.58 116.78 1hv4 h ASN 102 Ca 0.21 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.70 1hv4 h ASN 102 Cb 1.02 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.21 1hv4 h ASN 102 CO -0.00 0.69 0.20 -0.26 -1.29 0.00 0.00 177.43 176.76 1hv4 h PHE 103 N 0.00 0.60 -0.00 1.19 0.04 -1.25 -0.22 116.94 117.30 1hv4 h PHE 103 Ca -0.01 -0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.75 1hv4 h PHE 103 Cb 1.53 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 39.47 1hv4 h PHE 103 CO 0.00 0.50 -0.11 -0.09 -0.60 0.00 0.00 178.31 178.00 1hv4 h ARG 104 N 0.53 -0.19 -0.27 1.51 1.12 -1.54 -1.40 114.38 114.15 1hv4 h ARG 104 Ca 0.14 0.01 0.06 0.00 -1.11 0.00 0.00 59.98 59.09 1hv4 h ARG 104 Cb 0.13 0.04 -0.08 0.00 -0.01 0.00 0.00 29.97 30.05 1hv4 h ARG 104 CO -0.02 -0.12 -0.29 -0.07 -3.11 0.00 0.00 179.97 176.36 1hv4 h LEU 105 N -0.19 -0.93 -0.37 3.80 3.38 -1.02 -1.11 115.31 118.86 1hv4 h LEU 105 Ca 0.04 0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.18 1hv4 h LEU 105 Cb 0.25 0.43 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1hv4 h LEU 105 CO -0.12 -0.31 0.24 0.25 0.09 0.00 0.00 178.44 178.59 1hv4 h LEU 106 N -0.28 0.40 -0.90 1.67 5.85 -0.94 -2.35 115.31 118.76 1hv4 h LEU 106 Ca 0.14 -0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.99 1hv4 h LEU 106 Cb 0.51 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.35 1hv4 h LEU 106 CO -0.43 0.29 0.51 1.23 -0.34 0.00 0.00 178.44 179.70 1hv4 h GLY 107 N 0.48 1.47 0.88 3.75 0.00 -0.60 0.25 103.07 109.31 1hv4 h GLY 107 Ca 0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1hv4 h GLY 107 CO -0.04 0.03 0.07 -0.55 0.00 0.00 0.00 176.54 176.05 1hv4 h ASP 108 N 0.75 0.26 -0.30 0.19 3.45 -0.73 -2.45 116.42 117.59 1hv4 h ASP 108 Ca 0.47 -0.17 0.03 0.00 0.43 0.00 0.00 57.03 57.79 1hv4 h ASP 108 Cb 0.60 -0.07 -0.03 0.00 -0.56 0.00 0.00 39.33 39.28 1hv4 h ASP 108 CO -0.32 0.36 0.12 0.40 -1.57 0.00 0.00 179.24 178.23 1hv4 h ILE 109 N 0.14 0.94 -0.77 0.35 2.04 -0.78 -1.98 117.51 117.44 1hv4 h ILE 109 Ca 0.06 -0.09 0.18 0.00 1.00 0.00 0.00 64.86 66.01 1hv4 h ILE 109 Cb 0.19 0.66 -0.12 0.00 -0.74 0.00 0.00 36.82 36.80 1hv4 h ILE 109 CO -0.00 0.05 0.14 0.25 0.00 0.00 0.00 178.15 178.58 1hv4 h LEU 110 N 0.26 -0.11 -0.04 1.44 7.12 -0.82 0.72 115.31 123.88 1hv4 h LEU 110 Ca 0.13 0.17 0.01 0.00 0.13 0.00 0.00 57.88 58.33 1hv4 h LEU 110 Cb 0.08 0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 40.46 1hv4 h LEU 110 CO -0.12 -0.11 -0.05 0.40 -0.13 0.00 0.00 178.44 178.43 1hv4 h ILE 111 N 0.20 0.87 -0.78 4.05 1.08 -0.88 -1.67 117.51 120.37 1hv4 h ILE 111 Ca 0.45 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.99 1hv4 h ILE 111 Cb 0.81 0.87 -0.06 0.00 -3.07 0.00 0.00 36.82 35.36 1hv4 h ILE 111 CO -0.59 0.00 0.46 0.40 -0.69 0.00 0.00 178.15 177.72 1hv4 h ILE 112 N -0.06 0.97 -0.05 -0.67 2.04 -0.57 -1.13 117.51 118.03 1hv4 h ILE 112 Ca 0.03 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.62 1hv4 h ILE 112 Cb 0.11 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 1hv4 h ILE 112 CO -0.08 0.15 0.01 0.58 0.00 0.00 0.00 178.15 178.81 1hv4 h VAL 113 N 0.81 0.97 -0.58 1.67 2.07 -0.57 -1.94 116.25 118.69 1hv4 h VAL 113 Ca 0.36 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.91 1hv4 h VAL 113 Cb 0.25 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 1hv4 h VAL 113 CO -0.21 0.00 0.32 -0.07 0.02 0.00 0.00 177.57 177.64 1hv4 h LEU 114 N 0.03 0.49 -1.85 2.57 3.38 -0.81 -1.34 115.31 117.77 1hv4 h LEU 114 Ca 0.02 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.14 1hv4 h LEU 114 Cb 0.02 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1hv4 h LEU 114 CO -0.03 0.33 0.37 0.00 0.09 0.00 0.00 178.44 179.19 1hv4 h ALA 115 N 1.29 2.28 0.00 1.53 0.00 -0.68 -0.82 119.26 122.86 1hv4 h ALA 115 Ca 0.25 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1hv4 h ALA 115 Cb 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1hv4 h ALA 115 CO -0.15 -0.42 -0.42 0.00 0.00 0.00 0.00 179.25 178.26 1hv4 h ALA 116 N 1.74 0.80 0.00 0.00 0.00 -0.51 -2.89 119.26 118.40 1hv4 h ALA 116 Ca 0.25 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 1hv4 h ALA 116 Cb 0.78 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1hv4 h ALA 116 CO -0.04 0.21 -1.65 0.72 0.00 0.00 0.00 179.25 178.49 1hv4 n HIS 117 N -3.03 0.65 -0.08 0.00 -0.00 -0.43 -4.25 115.22 108.09 1hv4 n HIS 117 Ca 0.02 0.21 0.05 0.00 -0.00 0.00 0.00 57.72 58.00 1hv4 n HIS 117 Cb 0.60 -0.96 0.12 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 -2.74 0.35 0.00 4.41 3.01 -0.51 -5.05 117.46 116.93 1hv4 n PHE 118 Ca -0.12 -0.43 0.00 0.00 1.01 0.00 0.00 57.45 57.91 1hv4 n PHE 118 Cb 0.82 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 40.27 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 0.41 0.00 0.47 4.37 0.00 -1.09 -0.03 120.51 124.64 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 0.38 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.10 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 9.82 0.09 0.00 0.00 5.02 -1.26 -1.84 118.16 129.99 1hv4 n LYS 120 Ca 0.00 0.24 0.14 0.00 -2.02 0.00 0.00 58.31 56.67 1hv4 n LYS 120 Cb 0.00 -1.50 0.60 0.00 -0.02 0.00 0.00 35.03 34.11 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 0.31 -3.02 1.97 2.13 0.95 -4.19 120.64 117.41 1hv4 n GLU 121 Ca 0.04 -0.07 -0.44 0.00 0.66 0.00 0.00 57.16 57.35 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 -1.28 4.05 -1.72 4.31 7.35 -0.77 -4.98 117.46 124.43 1hv4 n PHE 122 Ca 0.11 -3.27 -0.33 0.00 -0.76 0.00 0.00 57.45 53.20 1hv4 n PHE 122 Cb 0.30 -1.72 0.05 0.00 0.35 0.00 0.00 39.48 38.46 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 -0.88 3.30 0.26 -2.13 -4.23 -1.26 -4.69 115.64 106.02 1hv4 s THR 123 Ca 0.35 0.58 -0.02 0.00 -1.18 0.00 0.00 61.69 61.42 1hv4 s THR 123 Cb -0.02 -3.11 0.26 0.00 1.34 0.00 0.00 72.50 70.98 1hv4 s THR 123 CO 0.00 -0.40 1.67 -0.65 -0.54 0.00 0.00 174.62 174.71 1hv4 h PRO 124 N -0.08 0.26 -0.80 3.99 0.11 -1.95 0.52 132.00 134.05 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 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 1hv4 h PRO 124 CO 0.54 0.17 0.49 -0.44 -0.21 0.00 0.00 178.00 178.55 1hv4 h ASP 125 N 0.26 0.96 -0.02 -2.05 5.19 -1.99 -0.65 116.42 118.11 1hv4 h ASP 125 Ca 0.47 -0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.82 1hv4 h ASP 125 Cb 0.86 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 40.12 1hv4 h ASP 125 CO -0.56 0.74 0.01 0.00 -3.12 0.00 0.00 179.24 176.31 1hv4 h GLN 127 N -0.08 -0.22 -0.91 0.00 4.15 0.04 -1.13 115.11 116.96 1hv4 h GLN 127 Ca 0.01 0.02 0.14 0.00 0.77 0.00 0.00 58.65 59.58 1hv4 h GLN 127 Cb 0.11 0.05 -0.09 0.00 0.21 0.00 0.00 27.48 27.76 1hv4 h GLN 127 CO -0.00 -0.15 0.52 0.00 -1.93 0.00 0.00 178.83 177.27 1hv4 h ALA 128 N 0.84 1.38 -0.68 3.38 0.00 -0.93 0.78 119.26 124.03 1hv4 h ALA 128 Ca 0.14 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1hv4 h ALA 128 Cb 0.44 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1hv4 h ALA 128 CO -0.38 0.04 0.38 0.00 0.00 0.00 0.00 179.25 179.29 1hv4 h ALA 129 N 1.54 0.87 -0.10 0.00 0.00 -0.22 -1.12 119.26 120.23 1hv4 h ALA 129 Ca 0.48 -0.11 -0.21 0.00 0.00 0.00 0.00 54.91 55.07 1hv4 h ALA 129 Cb 0.59 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1hv4 h ALA 129 CO -0.32 0.38 -0.79 -1.49 0.00 0.00 0.00 179.25 177.04 1hv4 h TRP 130 N 0.93 0.81 -0.28 0.00 4.06 -0.70 -1.67 115.95 119.10 1hv4 h TRP 130 Ca 0.24 -0.37 0.07 0.00 2.06 0.00 0.00 58.89 60.88 1hv4 h TRP 130 Cb 0.03 -0.12 -0.07 0.00 -1.00 0.00 0.00 29.16 28.00 1hv4 h TRP 130 CO -0.01 1.17 -0.19 1.96 -3.56 0.00 0.00 178.44 177.82 1hv4 h GLN 131 N 0.40 -0.16 0.13 0.49 1.08 -0.55 0.34 115.11 116.85 1hv4 h GLN 131 Ca -0.05 0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1hv4 h GLN 131 Cb 1.40 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.83 1hv4 h GLN 131 CO 0.15 -0.10 -0.26 -0.22 -0.95 0.00 0.00 178.83 177.45 1hv4 h LYS 132 N -0.16 -0.46 0.07 1.46 3.64 -1.12 -1.19 116.57 118.81 1hv4 h LYS 132 Ca 0.15 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.58 1hv4 h LYS 132 Cb 0.39 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.27 1hv4 h LYS 132 CO -0.38 -0.31 -0.51 1.25 -2.27 0.00 0.00 179.45 177.23 1hv4 h LEU 133 N -0.48 -1.55 -0.91 5.20 5.85 -0.45 0.95 115.31 123.92 1hv4 h LEU 133 Ca 0.03 0.17 0.25 0.00 0.84 0.00 0.00 57.88 59.16 1hv4 h LEU 133 Cb 0.50 0.58 -0.14 0.00 0.37 0.00 0.00 40.66 41.97 1hv4 h LEU 133 CO -0.14 -0.53 0.37 0.58 -0.34 0.00 0.00 178.44 178.38 1hv4 h VAL 134 N -0.70 0.38 -0.07 1.05 2.07 -0.11 0.07 116.25 118.94 1hv4 h VAL 134 Ca 0.01 -0.11 -0.09 0.00 0.82 0.00 0.00 66.70 67.33 1hv4 h VAL 134 Cb 0.74 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1hv4 h VAL 134 CO -0.31 0.06 -0.32 0.03 0.02 0.00 0.00 177.57 177.05 1hv4 h ARG 135 N 0.31 0.33 0.00 1.57 3.08 -0.44 -2.16 114.38 117.08 1hv4 h ARG 135 Ca 0.59 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 60.37 1hv4 h ARG 135 Cb 1.21 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.31 1hv4 h ARG 135 CO -0.59 0.91 -0.03 -0.24 -1.07 0.00 0.00 179.97 178.95 1hv4 h VAL 136 N -0.17 0.28 0.01 2.04 3.04 0.19 -0.07 116.25 121.58 1hv4 h VAL 136 Ca -0.02 -0.19 -0.00 0.00 -1.01 0.00 0.00 66.70 65.48 1hv4 h VAL 136 Cb 0.97 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.40 1hv4 h VAL 136 CO 0.07 0.03 -0.01 0.58 -1.01 0.00 0.00 177.57 177.23 1hv4 h VAL 137 N 0.00 1.52 -0.57 1.51 2.07 -0.92 -3.02 116.25 116.83 1hv4 h VAL 137 Ca -0.00 -1.99 0.08 0.00 0.82 0.00 0.00 66.70 65.61 1hv4 h VAL 137 Cb 0.14 2.80 -0.03 0.00 -1.52 0.00 0.00 31.29 32.68 1hv4 h VAL 137 CO 0.00 0.49 0.38 0.00 0.02 0.00 0.00 177.57 178.47 1hv4 h ALA 138 N -0.04 1.93 0.00 1.67 0.00 -0.78 0.23 119.26 122.27 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 0.81 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1hv4 h ALA 138 CO 0.00 -0.05 -0.29 1.25 0.00 0.00 0.00 179.25 180.17 1hv4 h HIS 139 N 0.46 0.00 0.10 0.00 6.17 -1.10 0.22 115.15 121.00 1hv4 h HIS 139 Ca 0.26 0.00 -0.26 0.00 0.71 0.00 0.00 60.37 61.08 1hv4 h HIS 139 Cb 0.41 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.35 1hv4 h HIS 139 CO -0.00 0.29 -1.17 0.00 0.71 0.00 0.00 177.93 177.76 1hv4 h ALA 140 N 1.71 0.17 -0.04 5.26 0.00 -0.47 -2.86 119.26 123.03 1hv4 h ALA 140 Ca -0.00 -0.84 -0.06 0.00 0.00 0.00 0.00 54.91 54.01 1hv4 h ALA 140 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1hv4 h ALA 140 CO 0.04 0.92 -0.20 -0.07 0.00 0.00 0.00 179.25 179.94 1hv4 h LEU 141 N 0.11 0.24 0.00 0.00 3.38 -0.77 -3.39 115.31 114.88 1hv4 h LEU 141 Ca -0.12 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.18 1hv4 h LEU 141 Cb 1.87 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.55 1hv4 h LEU 141 CO 0.19 0.87 0.00 0.00 0.09 0.00 0.00 178.44 179.59 1hv4 n ALA 142 N -2.48 0.00 0.00 1.53 0.00 0.73 -3.81 120.51 116.48 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 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 -1.08 -2.66 116.66 108.91 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 0.19 118.16 120.00 1hv4 n LYS 144 Ca 0.00 0.22 0.11 0.00 0.00 0.00 0.00 58.31 58.63 1hv4 n LYS 144 Cb 0.00 -1.73 -0.04 0.00 0.00 0.00 0.00 35.03 33.25 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 -1.19 0.00 -1.35 5.64 4.01 -1.09 -4.86 117.16 118.32 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 0.23 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 1hv4 n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12