#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hv4 n LEU 2 N 0.00 -2.86 0.00 1.34 4.77 -1.26 -5.02 117.00 113.97 1hv4 n LEU 2 Ca 0.00 0.60 -0.13 0.00 -0.03 0.00 0.00 56.01 56.45 1hv4 n LEU 2 Cb 0.00 -1.43 0.11 0.00 -2.33 0.00 0.00 43.42 39.77 1hv4 n LEU 2 CO 0.00 -0.46 0.26 -1.54 -1.33 0.00 0.00 177.39 174.32 1hv4 n SER 3 N 0.36 -1.43 -0.03 -1.43 3.41 -1.26 -4.79 113.62 108.45 1hv4 n SER 3 Ca 0.00 -0.80 -0.14 0.00 -0.26 0.00 0.00 58.87 57.68 1hv4 n SER 3 Cb 0.00 -0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 63.42 1hv4 n SER 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hv4 h ALA 4 N -2.30 0.06 -0.12 7.33 0.00 -1.99 -2.47 119.26 119.77 1hv4 h ALA 4 Ca -0.18 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.43 1hv4 h ALA 4 Cb 0.54 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1hv4 h ALA 4 CO 0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 179.25 179.25 1hv4 h ALA 5 N 0.44 0.07 -0.64 0.00 0.00 -1.99 0.27 119.26 117.41 1hv4 h ALA 5 Ca -0.00 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.05 1hv4 h ALA 5 Cb 0.68 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 1hv4 h ALA 5 CO 0.02 -0.49 0.26 -0.44 0.00 0.00 0.00 179.25 178.59 1hv4 h ASP 6 N -0.01 0.27 -0.39 0.00 3.45 -1.92 0.15 116.42 117.97 1hv4 h ASP 6 Ca 0.06 0.08 -0.01 0.00 0.43 0.00 0.00 57.03 57.59 1hv4 h ASP 6 Cb 0.09 0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 38.90 1hv4 h ASP 6 CO -0.12 0.15 0.22 0.11 -1.57 0.00 0.00 179.24 178.02 1hv4 h LYS 7 N 0.44 0.54 -0.31 3.56 1.57 -0.89 -0.87 116.57 120.61 1hv4 h LYS 7 Ca 0.33 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1hv4 h LYS 7 Cb 0.41 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1hv4 h LYS 7 CO -0.31 0.44 0.20 1.15 -0.57 0.00 0.00 179.45 180.36 1hv4 h THR 8 N 0.50 1.09 -0.22 -0.16 2.02 0.26 -0.65 112.91 115.75 1hv4 h THR 8 Ca 0.14 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1hv4 h THR 8 Cb 0.05 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1hv4 h THR 8 CO -0.02 0.08 0.09 0.78 0.37 0.00 0.00 175.52 176.82 1hv4 h ASN 9 N 0.42 0.30 -0.17 4.18 -0.26 -0.61 0.24 115.58 119.68 1hv4 h ASN 9 Ca 0.11 -0.17 0.05 0.00 -0.56 0.00 0.00 56.30 55.73 1hv4 h ASN 9 Cb -0.04 -0.08 -0.05 0.00 -1.06 0.00 0.00 38.32 37.09 1hv4 h ASN 9 CO -0.02 0.39 -0.16 0.58 -1.06 0.00 0.00 177.43 177.15 1hv4 h VAL 10 N 0.20 0.56 -0.64 2.81 2.07 -0.96 -1.15 116.25 119.14 1hv4 h VAL 10 Ca 0.07 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.66 1hv4 h VAL 10 Cb 0.18 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 1hv4 h VAL 10 CO -0.01 0.00 0.33 0.11 0.02 0.00 0.00 177.57 178.03 1hv4 h LYS 11 N -0.19 0.58 0.26 1.57 1.57 -0.93 -2.20 116.57 117.23 1hv4 h LYS 11 Ca 0.11 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1hv4 h LYS 11 Cb 0.35 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1hv4 h LYS 11 CO -0.28 0.39 -0.36 0.78 -0.57 0.00 0.00 179.45 179.41 1hv4 h GLY 12 N 0.60 -1.12 2.00 3.86 0.00 0.24 -1.19 103.07 107.46 1hv4 h GLY 12 Ca 0.30 0.54 -0.00 0.00 0.00 0.00 0.00 47.33 48.17 1hv4 h GLY 12 CO -0.21 -0.34 -0.00 -0.24 0.00 0.00 0.00 176.54 175.75 1hv4 h VAL 13 N -0.64 0.09 0.00 4.60 3.04 -1.27 0.22 116.25 122.29 1hv4 h VAL 13 Ca -0.03 -0.02 -0.07 0.00 -1.01 0.00 0.00 66.70 65.57 1hv4 h VAL 13 Cb 0.58 1.02 -0.01 0.00 -2.01 0.00 0.00 31.29 30.86 1hv4 h VAL 13 CO -0.10 0.00 -0.52 -0.26 -1.01 0.00 0.00 177.57 175.69 1hv4 h PHE 14 N 0.00 0.00 -0.26 3.17 0.04 -0.89 -2.97 116.94 116.03 1hv4 h PHE 14 Ca -0.00 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.64 1hv4 h PHE 14 Cb 0.02 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 1hv4 h PHE 14 CO 0.00 0.32 -0.37 0.66 -0.60 0.00 0.00 178.31 178.32 1hv4 h SER 15 N 0.00 0.60 0.63 2.17 4.64 0.65 0.31 113.55 122.57 1hv4 h SER 15 Ca -0.02 -0.25 -0.15 0.00 -0.47 0.00 0.00 61.79 60.90 1hv4 h SER 15 Cb 1.26 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 1hv4 h SER 15 CO 0.04 0.91 -0.68 0.11 -0.87 0.00 0.00 176.83 176.34 1hv4 h LYS 16 N 0.48 0.04 0.00 4.77 6.56 -1.48 -3.25 116.57 123.69 1hv4 h LYS 16 Ca 0.05 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 1hv4 h LYS 16 Cb 0.86 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.52 1hv4 h LYS 16 CO 0.07 0.71 -1.29 0.44 -2.06 0.00 0.00 179.45 177.32 1hv4 n ILE 17 N -3.74 0.29 -1.56 1.86 -5.35 -1.12 -4.92 119.36 104.81 1hv4 n ILE 17 Ca -0.01 -0.43 -0.42 0.00 -0.27 0.00 0.00 62.75 61.62 1hv4 n ILE 17 Cb 0.67 -0.05 0.01 0.00 -1.74 0.00 0.00 39.64 38.53 1hv4 n ILE 17 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1hv4 n SER 18 N -2.31 0.63 0.00 7.28 3.41 0.08 -1.99 113.62 120.73 1hv4 n SER 18 Ca -0.00 1.01 0.00 0.00 -0.26 0.00 0.00 58.87 59.62 1hv4 n SER 18 Cb 0.52 -1.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 1hv4 n SER 18 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hv4 n GLY 19 N 1.37 0.71 0.00 5.00 0.00 -1.26 -4.89 105.19 106.12 1hv4 n GLY 19 Ca 0.10 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1hv4 n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1hv4 n HIS 20 N -3.02 0.00 -0.13 1.61 -0.00 -0.84 -4.96 115.22 107.87 1hv4 n HIS 20 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.68 1hv4 n HIS 20 Cb 0.23 0.07 -0.03 0.00 -0.00 0.00 0.00 29.99 30.25 1hv4 n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1hv4 h ALA 21 N 0.00 -0.20 -0.95 -1.41 0.00 -1.90 0.33 119.26 115.12 1hv4 h ALA 21 Ca 0.00 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1hv4 h ALA 21 Cb 0.78 1.11 -0.12 0.00 0.00 0.00 0.00 17.79 19.56 1hv4 h ALA 21 CO 0.00 -0.33 -0.55 -1.91 0.00 0.00 0.00 179.25 176.46 1hv4 n GLU 22 N -3.73 -0.41 0.14 0.00 4.07 -1.26 -0.34 120.64 119.11 1hv4 n GLU 22 Ca 0.01 1.44 -0.14 0.00 -0.06 0.00 0.00 57.16 58.41 1hv4 n GLU 22 Cb 0.09 -2.12 -0.08 0.00 -0.06 0.00 0.00 31.44 29.27 1hv4 n GLU 22 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1hv4 h GLU 23 N 0.00 -0.32 -0.12 5.31 4.81 -1.46 -2.83 114.58 119.97 1hv4 h GLU 23 Ca 0.16 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1hv4 h GLU 23 Cb 0.40 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 1hv4 h GLU 23 CO -0.90 -0.08 -0.00 1.88 -0.73 0.00 0.00 179.01 179.18 1hv4 h TYR 24 N -0.52 0.24 -0.66 0.92 0.99 -0.10 -2.55 116.97 115.29 1hv4 h TYR 24 Ca -0.03 -0.04 0.12 0.00 2.00 0.00 0.00 58.73 60.78 1hv4 h TYR 24 Cb 0.38 -0.06 -0.09 0.00 1.00 0.00 0.00 36.73 37.96 1hv4 h TYR 24 CO -0.01 0.46 0.20 0.78 -0.00 0.00 0.00 178.16 179.59 1hv4 h GLY 25 N -0.05 0.92 1.53 3.88 0.00 -0.78 0.30 103.07 108.87 1hv4 h GLY 25 Ca 0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 1hv4 h GLY 25 CO 0.01 -0.10 0.18 0.00 0.00 0.00 0.00 176.54 176.63 1hv4 h ALA 26 N 1.50 1.51 -0.06 3.60 0.00 -1.44 -2.15 119.26 122.22 1hv4 h ALA 26 Ca 0.35 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.96 1hv4 h ALA 26 Cb 0.52 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1hv4 h ALA 26 CO -0.39 0.39 -0.71 1.49 0.00 0.00 0.00 179.25 180.02 1hv4 h GLU 27 N 0.61 0.58 -0.44 0.00 4.81 -0.15 -2.53 114.58 117.46 1hv4 h GLU 27 Ca 0.15 -0.55 -0.09 0.00 -0.13 0.00 0.00 59.36 58.75 1hv4 h GLU 27 Cb 0.11 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1hv4 h GLU 27 CO -0.02 1.17 -0.08 1.79 -0.73 0.00 0.00 179.01 181.14 1hv4 h THR 28 N 0.20 1.25 -0.27 0.32 1.35 -0.46 -1.46 112.91 113.84 1hv4 h THR 28 Ca -0.07 -1.12 -0.02 0.00 -0.55 0.00 0.00 66.41 64.65 1hv4 h THR 28 Cb 1.37 1.00 -0.01 0.00 -1.73 0.00 0.00 68.15 68.78 1hv4 h THR 28 CO 0.14 0.38 0.11 -0.07 -0.25 0.00 0.00 175.52 175.83 1hv4 h LEU 29 N 0.71 0.37 -1.35 3.87 3.38 -1.42 -0.75 115.31 120.12 1hv4 h LEU 29 Ca 0.13 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1hv4 h LEU 29 Cb 0.55 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1hv4 h LEU 29 CO 0.03 0.44 -0.19 -0.08 0.09 0.00 0.00 178.44 178.73 1hv4 h GLU 30 N 0.28 0.19 -0.03 1.13 4.81 -1.24 -1.28 114.58 118.44 1hv4 h GLU 30 Ca 0.09 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.09 1hv4 h GLU 30 Cb 0.18 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1hv4 h GLU 30 CO -0.01 0.39 -0.77 0.00 -0.73 0.00 0.00 179.01 177.89 1hv4 h ARG 31 N 0.18 0.25 -0.05 1.92 3.08 -1.01 -2.22 114.38 116.53 1hv4 h ARG 31 Ca 0.03 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 1hv4 h ARG 31 Cb 0.45 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 1hv4 h ARG 31 CO 0.03 0.91 0.00 1.98 -1.07 0.00 0.00 179.97 181.82 1hv4 h MET 32 N 0.16 0.08 -0.05 0.04 4.05 -0.43 -0.28 114.93 118.50 1hv4 h MET 32 Ca -0.03 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.31 1hv4 h MET 32 Cb 1.36 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 32.14 1hv4 h MET 32 CO 0.12 0.34 -0.24 0.74 0.23 0.00 0.00 176.91 178.10 1hv4 h PHE 33 N -0.19 0.09 0.07 1.39 0.04 -1.29 0.25 116.94 117.30 1hv4 h PHE 33 Ca 0.01 -0.01 -0.25 0.00 2.80 0.00 0.00 57.97 60.53 1hv4 h PHE 33 Cb 0.30 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.42 1hv4 h PHE 33 CO 0.02 0.32 -1.11 1.15 -0.60 0.00 0.00 178.31 178.09 1hv4 h THR 34 N 0.08 1.53 0.00 -1.55 2.02 -1.21 -2.97 112.91 110.80 1hv4 h THR 34 Ca 0.01 -2.98 -0.12 0.00 0.77 0.00 0.00 66.41 64.09 1hv4 h THR 34 Cb 0.46 2.79 -0.02 0.00 -1.74 0.00 0.00 68.15 69.65 1hv4 h THR 34 CO 0.03 0.87 -2.11 0.00 0.37 0.00 0.00 175.52 174.69 1hv4 n ALA 35 N -2.49 2.36 -3.10 6.16 0.00 -0.13 -4.57 120.51 118.74 1hv4 n ALA 35 Ca -0.06 -0.78 -0.23 0.00 0.00 0.00 0.00 53.44 52.37 1hv4 n ALA 35 Cb 0.95 -0.54 -0.04 0.00 0.00 0.00 0.00 19.45 19.82 1hv4 n ALA 35 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1hv4 n TYR 36 N -2.41 2.11 -0.38 0.00 4.02 0.87 -4.97 117.16 116.41 1hv4 n TYR 36 Ca -0.14 -3.91 0.30 0.00 -0.01 0.00 0.00 57.90 54.15 1hv4 n TYR 36 Cb 0.76 -0.46 0.57 0.00 -0.02 0.00 0.00 39.34 40.19 1hv4 n TYR 36 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1hv4 h PRO 37 N 3.17 0.20 0.00 -0.72 0.13 -1.64 0.67 132.00 133.80 1hv4 h PRO 37 Ca 0.12 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1hv4 h PRO 37 Cb 0.73 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1hv4 h PRO 37 CO 0.66 0.13 0.00 -0.56 -0.23 0.00 0.00 178.00 178.00 1hv4 h GLN 38 N 0.20 0.00 0.00 0.86 -0.00 -1.91 0.80 115.11 115.06 1hv4 h GLN 38 Ca 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.41 1hv4 h GLN 38 Cb 2.09 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.57 1hv4 h GLN 38 CO -0.50 0.00 0.00 0.25 -0.00 0.00 0.00 178.83 178.58 1hv4 n THR 39 N -2.58 0.79 -0.34 1.86 -2.24 0.23 -2.66 114.28 109.34 1hv4 n THR 39 Ca -0.02 0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1hv4 n THR 39 Cb 0.05 -1.01 0.14 0.00 -2.10 0.00 0.00 70.33 67.41 1hv4 n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1hv4 h LYS 40 N 0.00 1.07 -1.17 -0.78 1.57 -1.03 -2.71 116.57 113.53 1hv4 h LYS 40 Ca 0.00 -0.06 0.34 0.00 -1.87 0.00 0.00 60.65 59.05 1hv4 h LYS 40 Cb 0.39 -0.24 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 1hv4 h LYS 40 CO 0.00 0.71 1.06 2.41 -0.57 0.00 0.00 179.45 183.06 1hv4 n THR 41 N -4.54 0.00 1.11 -0.16 -1.04 -1.09 0.15 114.28 108.71 1hv4 n THR 41 Ca 0.13 1.09 0.13 0.00 -2.04 0.00 0.00 64.05 63.36 1hv4 n THR 41 Cb 0.14 -1.89 0.37 0.00 -1.82 0.00 0.00 70.33 67.12 1hv4 n THR 41 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1hv4 n TYR 42 N -3.16 0.00 -2.99 -1.42 4.01 -1.02 -4.36 117.16 108.22 1hv4 n TYR 42 Ca 0.26 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.77 1hv4 n TYR 42 Cb 1.41 -0.24 -0.03 0.00 -0.31 0.00 0.00 39.34 40.17 1hv4 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1hv4 n PHE 43 N -1.22 2.59 0.05 -0.72 3.01 0.39 -4.86 117.46 116.70 1hv4 n PHE 43 Ca 0.08 -3.85 0.03 0.00 1.01 0.00 0.00 57.45 54.72 1hv4 n PHE 43 Cb 0.33 -0.44 0.41 0.00 -0.01 0.00 0.00 39.48 39.77 1hv4 n PHE 43 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1hv4 h PRO 44 N 2.97 0.41 -0.75 -1.08 0.11 -1.76 -1.68 132.00 130.22 1hv4 h PRO 44 Ca 0.12 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1hv4 h PRO 44 Cb 0.71 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1hv4 h PRO 44 CO 0.70 0.37 0.00 -2.39 -0.21 0.00 0.00 178.00 176.47 1hv4 n HIS 45 N -4.39 0.35 -4.32 0.65 1.44 -1.26 -4.88 115.22 102.80 1hv4 n HIS 45 Ca 0.01 -0.13 -0.31 0.00 -2.01 0.00 0.00 57.72 55.28 1hv4 n HIS 45 Cb 0.15 -0.14 -0.10 0.00 0.12 0.00 0.00 29.99 30.03 1hv4 n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1hv4 s PHE 46 N -1.44 2.92 -0.76 -1.40 2.99 -0.64 -5.05 117.98 114.60 1hv4 s PHE 46 Ca 0.10 -0.04 -0.25 0.00 0.00 0.00 0.00 56.93 56.74 1hv4 s PHE 46 Cb 0.07 -1.58 0.04 0.00 0.00 0.00 0.00 43.02 41.56 1hv4 s PHE 46 CO 0.04 0.42 1.22 0.34 -0.00 0.00 0.00 175.22 177.24 1hv4 s ASP 47 N -1.75 6.21 0.00 1.36 -1.08 -1.26 -4.88 116.67 115.26 1hv4 s ASP 47 Ca 0.20 -0.72 0.28 0.00 -0.52 0.00 0.00 52.55 51.79 1hv4 s ASP 47 Cb -0.11 -2.53 1.07 0.00 -1.46 0.00 0.00 42.92 39.89 1hv4 s ASP 47 CO 0.11 -1.70 1.75 0.18 0.52 0.00 0.00 175.17 176.04 1hv4 n LEU 48 N 8.88 1.11 -4.73 -1.34 4.32 -1.26 -4.43 117.00 119.56 1hv4 n LEU 48 Ca 0.05 -0.33 -0.42 0.00 -0.02 0.00 0.00 56.01 55.30 1hv4 n LEU 48 Cb 0.48 -0.06 -0.03 0.00 -1.62 0.00 0.00 43.42 42.20 1hv4 n LEU 48 CO 0.68 0.19 1.35 0.00 -1.22 0.00 0.00 177.39 178.39 1hv4 s GLN 49 N -2.20 4.12 0.00 3.23 0.00 -1.26 -4.82 119.66 118.73 1hv4 s GLN 49 Ca 0.34 2.61 -0.33 0.00 -0.00 0.00 0.00 55.36 57.97 1hv4 s GLN 49 Cb 0.20 -3.06 -0.17 0.00 0.00 0.00 0.00 33.01 29.99 1hv4 s GLN 49 CO 0.41 -0.73 0.89 1.58 0.00 0.00 0.00 175.29 177.43 1hv4 n HIS 50 N 3.61 0.53 -1.44 9.60 -0.00 -1.26 -1.33 115.22 124.93 1hv4 n HIS 50 Ca 0.14 0.88 -0.09 0.00 -0.00 0.00 0.00 57.72 58.66 1hv4 n HIS 50 Cb 0.36 -1.74 -0.03 0.00 -0.00 0.00 0.00 29.99 28.57 1hv4 n HIS 50 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1hv4 n GLY 51 N 1.25 0.85 3.74 1.57 0.00 -1.26 -5.01 105.19 106.33 1hv4 n GLY 51 Ca 0.17 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 1hv4 n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hv4 s SER 52 N -2.84 4.48 0.23 1.61 1.04 -0.44 -4.88 113.70 112.89 1hv4 s SER 52 Ca 0.00 2.23 -0.05 0.00 0.48 0.00 0.00 55.95 58.61 1hv4 s SER 52 Cb 0.00 -2.58 0.22 0.00 0.10 0.00 0.00 66.02 63.77 1hv4 s SER 52 CO 0.00 -2.06 1.72 0.00 0.98 0.00 0.00 173.24 173.88 1hv4 h ALA 53 N -0.21 1.01 0.53 5.32 0.00 -1.90 -1.91 119.26 122.10 1hv4 h ALA 53 Ca -0.47 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 1hv4 h ALA 53 Cb 1.28 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1hv4 h ALA 53 CO 0.51 0.62 -0.29 1.96 0.00 0.00 0.00 179.25 182.05 1hv4 h GLN 54 N 0.88 -0.73 -0.85 0.00 4.20 -1.91 0.79 115.11 117.48 1hv4 h GLN 54 Ca 0.17 0.05 0.13 0.00 0.06 0.00 0.00 58.65 59.06 1hv4 h GLN 54 Cb 0.46 0.17 -0.09 0.00 0.30 0.00 0.00 27.48 28.32 1hv4 h GLN 54 CO 0.02 -0.49 0.46 0.82 -0.67 0.00 0.00 178.83 178.97 1hv4 h ILE 55 N -0.76 0.81 0.07 2.54 2.04 -1.74 0.24 117.51 120.71 1hv4 h ILE 55 Ca -0.07 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1hv4 h ILE 55 Cb 0.60 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1hv4 h ILE 55 CO 0.10 0.13 -0.04 0.11 0.00 0.00 0.00 178.15 178.45 1hv4 h LYS 56 N 0.71 -0.10 -0.33 2.37 1.57 -1.07 0.63 116.57 120.35 1hv4 h LYS 56 Ca 0.44 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.26 1hv4 h LYS 56 Cb 0.54 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 1hv4 h LYS 56 CO -0.31 0.09 0.14 0.00 -0.57 0.00 0.00 179.45 178.79 1hv4 h ALA 57 N 0.65 0.40 -0.32 3.86 0.00 -0.01 -0.33 119.26 123.51 1hv4 h ALA 57 Ca -0.01 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1hv4 h ALA 57 Cb 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1hv4 h ALA 57 CO 0.02 -0.25 -0.12 1.25 0.00 0.00 0.00 179.25 180.15 1hv4 h HIS 58 N 0.30 0.73 -0.23 0.00 -0.00 -0.47 -2.40 115.15 113.07 1hv4 h HIS 58 Ca 0.15 -0.17 0.05 0.00 -0.00 0.00 0.00 60.37 60.40 1hv4 h HIS 58 Cb 0.09 -0.17 -0.07 0.00 -0.00 0.00 0.00 27.41 27.26 1hv4 h HIS 58 CO -0.12 0.84 -0.39 0.78 -0.00 0.00 0.00 177.93 179.04 1hv4 h GLY 59 N 0.40 -0.57 0.15 5.26 0.00 0.74 0.98 103.07 110.03 1hv4 h GLY 59 Ca 0.07 0.49 0.17 0.00 0.00 0.00 0.00 47.33 48.06 1hv4 h GLY 59 CO 0.04 -0.21 0.49 1.70 0.00 0.00 0.00 176.54 178.55 1hv4 h LYS 60 N -0.41 0.63 -0.44 4.80 3.64 -0.98 -1.84 116.57 121.96 1hv4 h LYS 60 Ca 0.10 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 1hv4 h LYS 60 Cb 0.59 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1hv4 h LYS 60 CO -0.45 0.41 0.04 0.87 -2.27 0.00 0.00 179.45 178.06 1hv4 h LYS 61 N 0.64 0.75 0.39 1.90 1.79 -0.43 -1.27 116.57 120.34 1hv4 h LYS 61 Ca 0.51 -0.22 -0.01 0.00 -2.18 0.00 0.00 60.65 58.75 1hv4 h LYS 61 Cb 0.77 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.33 1hv4 h LYS 61 CO -0.39 0.79 -0.39 0.28 -1.08 0.00 0.00 179.45 178.66 1hv4 h VAL 62 N 0.60 0.00 -0.12 0.50 2.07 -0.07 -1.94 116.25 117.30 1hv4 h VAL 62 Ca 0.13 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.61 1hv4 h VAL 62 Cb 0.42 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1hv4 h VAL 62 CO 0.01 0.00 -0.10 1.62 0.02 0.00 0.00 177.57 179.12 1hv4 h VAL 63 N -0.78 1.15 -0.90 2.57 3.04 -1.54 -1.36 116.25 118.43 1hv4 h VAL 63 Ca -0.05 -0.64 0.07 0.00 -1.01 0.00 0.00 66.70 65.07 1hv4 h VAL 63 Cb 0.67 1.18 -0.06 0.00 -2.01 0.00 0.00 31.29 31.07 1hv4 h VAL 63 CO -0.05 0.20 0.59 0.00 -1.01 0.00 0.00 177.57 177.30 1hv4 h ALA 64 N 1.72 1.53 -0.21 3.17 0.00 -0.99 0.16 119.26 124.63 1hv4 h ALA 64 Ca 0.04 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 1hv4 h ALA 64 Cb 0.30 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1hv4 h ALA 64 CO 0.02 0.33 -0.64 0.00 0.00 0.00 0.00 179.25 178.96 1hv4 h ALA 65 N 1.52 0.36 -0.69 0.00 0.00 -0.47 -0.95 119.26 119.03 1hv4 h ALA 65 Ca 0.39 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1hv4 h ALA 65 Cb 0.22 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1hv4 h ALA 65 CO -0.15 0.64 0.27 -0.07 0.00 0.00 0.00 179.25 179.94 1hv4 h LEU 66 N 0.55 0.93 0.15 0.00 3.38 -0.72 -0.05 115.31 119.54 1hv4 h LEU 66 Ca -0.02 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1hv4 h LEU 66 Cb 1.26 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1hv4 h LEU 66 CO 0.14 0.83 -0.07 0.58 0.09 0.00 0.00 178.44 180.01 1hv4 h VAL 67 N 1.00 0.94 -0.95 1.22 2.07 -0.63 -1.97 116.25 117.93 1hv4 h VAL 67 Ca 0.23 -0.37 0.20 0.00 0.82 0.00 0.00 66.70 67.58 1hv4 h VAL 67 Cb 0.19 1.18 -0.11 0.00 -1.52 0.00 0.00 31.29 31.03 1hv4 h VAL 67 CO -0.02 0.09 0.53 -0.08 0.02 0.00 0.00 177.57 178.11 1hv4 h GLU 68 N -0.37 0.60 -0.29 1.57 4.57 -0.59 0.33 114.58 120.40 1hv4 h GLU 68 Ca -0.02 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.06 1hv4 h GLU 68 Cb 0.30 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 1hv4 h GLU 68 CO 0.03 0.40 -0.07 0.00 -1.18 0.00 0.00 179.01 178.19 1hv4 h ALA 69 N 1.66 1.33 -0.52 2.92 0.00 -0.54 -2.58 119.26 121.54 1hv4 h ALA 69 Ca 0.57 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 1hv4 h ALA 69 Cb 0.97 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1hv4 h ALA 69 CO -0.43 0.45 -0.09 0.28 0.00 0.00 0.00 179.25 179.46 1hv4 h VAL 70 N 0.44 1.26 -0.15 0.00 2.07 0.38 0.21 116.25 120.47 1hv4 h VAL 70 Ca 0.09 -1.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.37 1hv4 h VAL 70 Cb 0.41 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1hv4 h VAL 70 CO 0.02 0.43 -0.01 0.78 0.02 0.00 0.00 177.57 178.81 1hv4 h ASN 71 N 0.85 0.19 -0.75 0.57 2.35 -1.00 -1.79 115.58 116.00 1hv4 h ASN 71 Ca 0.14 -0.02 -0.54 0.00 -0.55 0.00 0.00 56.30 55.33 1hv4 h ASN 71 Cb 0.62 -0.05 -0.37 0.00 0.05 0.00 0.00 38.32 38.58 1hv4 h ASN 71 CO 0.04 0.24 -0.44 1.41 -1.65 0.00 0.00 177.43 177.03 1hv4 n HIS 72 N -4.40 2.66 0.00 1.19 8.25 -0.91 -4.79 115.22 117.22 1hv4 n HIS 72 Ca -0.01 -2.32 0.00 0.00 -0.26 0.00 0.00 57.72 55.13 1hv4 n HIS 72 Cb 0.17 -0.56 0.00 0.00 1.12 0.00 0.00 29.99 30.72 1hv4 n HIS 72 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 1hv4 n ILE 73 N -0.79 0.00 0.36 1.59 3.06 0.69 -0.03 119.36 124.24 1hv4 n ILE 73 Ca 0.46 0.00 0.09 0.00 -2.50 0.00 0.00 62.75 60.81 1hv4 n ILE 73 Cb 0.90 -0.86 -0.13 0.00 0.54 0.00 0.00 39.64 40.10 1hv4 n ILE 73 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1hv4 n ASP 74 N -0.80 0.72 -3.04 9.51 9.92 -1.26 -4.61 116.55 126.99 1hv4 n ASP 74 Ca 0.00 -0.39 -0.15 0.00 -0.53 0.00 0.00 54.79 53.72 1hv4 n ASP 74 Cb 0.00 1.52 0.00 0.00 -0.64 0.00 0.00 41.12 42.00 1hv4 n ASP 74 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1hv4 n ASP 75 N -1.87 0.26 -0.31 -2.24 4.64 0.95 -4.97 116.55 113.02 1hv4 n ASP 75 Ca -0.01 -3.09 0.09 0.00 -1.38 0.00 0.00 54.79 50.40 1hv4 n ASP 75 Cb 0.41 -0.11 0.25 0.00 -1.04 0.00 0.00 41.12 40.63 1hv4 n ASP 75 CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 1hv4 h ILE 76 N 1.59 0.70 0.55 5.18 2.04 -1.79 0.49 117.51 126.27 1hv4 h ILE 76 Ca 0.03 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1hv4 h ILE 76 Cb 1.02 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1hv4 h ILE 76 CO 0.42 0.11 -0.42 0.00 0.00 0.00 0.00 178.15 178.27 1hv4 h ALA 77 N 1.59 -1.16 -0.48 1.87 0.00 -1.93 0.45 119.26 119.60 1hv4 h ALA 77 Ca 0.49 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.31 1hv4 h ALA 77 Cb 0.74 0.59 -0.09 0.00 0.00 0.00 0.00 17.79 19.03 1hv4 h ALA 77 CO -0.38 -1.15 -0.06 0.78 0.00 0.00 0.00 179.25 178.44 1hv4 h GLY 78 N -0.93 0.42 0.97 0.00 0.00 -1.81 0.74 103.07 102.47 1hv4 h GLY 78 Ca -0.07 0.11 0.11 0.00 0.00 0.00 0.00 47.33 47.48 1hv4 h GLY 78 CO 0.02 -0.16 0.41 0.00 0.00 0.00 0.00 176.54 176.82 1hv4 h ALA 79 N 1.46 2.11 -0.01 3.60 0.00 -0.67 -2.85 119.26 122.90 1hv4 h ALA 79 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1hv4 h ALA 79 Cb 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1hv4 h ALA 79 CO -0.45 -0.26 0.00 1.28 0.00 0.00 0.00 179.25 179.82 1hv4 n LEU 80 N -4.46 2.23 -0.29 0.00 4.77 0.13 -4.77 117.00 114.61 1hv4 n LEU 80 Ca 0.10 -2.63 0.10 0.00 -0.03 0.00 0.00 56.01 53.55 1hv4 n LEU 80 Cb 0.43 -0.25 0.25 0.00 -2.33 0.00 0.00 43.42 41.52 1hv4 n LEU 80 CO 0.34 0.62 1.02 0.77 -1.33 0.00 0.00 177.39 178.82 1hv4 h SER 81 N 0.04 0.28 -0.03 -1.43 4.64 0.66 0.10 113.55 117.82 1hv4 h SER 81 Ca 0.00 0.14 -0.04 0.00 -0.47 0.00 0.00 61.79 61.41 1hv4 h SER 81 Cb 0.80 0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 1hv4 h SER 81 CO 0.00 0.04 -0.09 0.50 -0.87 0.00 0.00 176.83 176.42 1hv4 h LYS 82 N 0.41 0.27 0.00 4.77 3.11 -1.86 -2.74 116.57 120.54 1hv4 h LYS 82 Ca 0.49 -0.06 -0.07 0.00 -2.81 0.00 0.00 60.65 58.21 1hv4 h LYS 82 Cb 0.87 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.04 1hv4 h LYS 82 CO -0.48 0.38 -0.53 -0.07 -2.81 0.00 0.00 179.45 175.93 1hv4 h LEU 83 N 0.26 0.00 -0.60 5.20 3.38 -1.19 -3.09 115.31 119.27 1hv4 h LEU 83 Ca 0.06 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1hv4 h LEU 83 Cb 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1hv4 h LEU 83 CO 0.02 0.28 -0.51 0.77 0.09 0.00 0.00 178.44 179.09 1hv4 h SER 84 N 0.00 0.00 0.41 -0.43 4.64 -0.98 -0.79 113.55 116.40 1hv4 h SER 84 Ca -0.02 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 1hv4 h SER 84 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1hv4 h SER 84 CO 0.03 0.51 -0.20 0.44 -0.87 0.00 0.00 176.83 176.75 1hv4 h ASP 85 N 0.00 -0.46 -0.24 4.97 3.45 -1.51 -0.25 116.42 122.38 1hv4 h ASP 85 Ca -0.01 -0.10 0.06 0.00 0.43 0.00 0.00 57.03 57.41 1hv4 h ASP 85 Cb 1.14 0.12 -0.06 0.00 -0.56 0.00 0.00 39.33 39.97 1hv4 h ASP 85 CO 0.07 -0.14 -0.16 0.25 -1.57 0.00 0.00 179.24 177.69 1hv4 h LEU 86 N -0.81 -0.52 -0.19 1.55 6.46 -1.45 0.10 115.31 120.45 1hv4 h LEU 86 Ca -0.06 0.11 -0.07 0.00 -0.12 0.00 0.00 57.88 57.74 1hv4 h LEU 86 Cb 0.54 0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.73 1hv4 h LEU 86 CO 0.09 -0.20 -0.35 0.45 -0.62 0.00 0.00 178.44 177.81 1hv4 h HIS 87 N -0.15 0.00 0.00 1.25 3.86 -1.17 -0.76 115.15 118.19 1hv4 h HIS 87 Ca 0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1hv4 h HIS 87 Cb 0.35 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.82 1hv4 h HIS 87 CO -0.33 0.35 -0.00 0.00 0.86 0.00 0.00 177.93 178.81 1hv4 n ALA 88 N -2.20 0.00 -0.15 2.45 0.00 -0.11 -0.77 120.51 119.74 1hv4 n ALA 88 Ca 0.02 -0.20 -0.09 0.00 0.00 0.00 0.00 53.44 53.17 1hv4 n ALA 88 Cb 0.64 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.09 1hv4 n ALA 88 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1hv4 h GLN 89 N -0.00 0.64 0.00 0.00 1.08 -1.11 -2.95 115.11 112.78 1hv4 h GLN 89 Ca 0.00 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 1hv4 h GLN 89 Cb 0.00 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.33 1hv4 h GLN 89 CO 0.00 0.60 0.00 1.17 -0.95 0.00 0.00 178.83 179.65 1hv4 n LYS 90 N -4.61 0.00 0.26 1.46 3.00 -0.94 -4.51 118.16 112.82 1hv4 n LYS 90 Ca 0.00 0.39 0.15 0.00 -0.00 0.00 0.00 58.31 58.85 1hv4 n LYS 90 Cb 0.16 -0.89 0.55 0.00 0.00 0.00 0.00 35.03 34.85 1hv4 n LYS 90 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1hv4 h LEU 91 N 0.00 0.00 -3.00 3.14 3.38 -1.33 -3.48 115.31 114.02 1hv4 h LEU 91 Ca 0.00 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.54 1hv4 h LEU 91 Cb 0.00 0.00 0.08 0.00 0.09 0.00 0.00 40.66 40.83 1hv4 h LEU 91 CO 0.00 0.03 -0.93 0.54 0.09 0.00 0.00 178.44 178.18 1hv4 n ARG 92 N -3.13 -1.62 -2.35 1.13 5.12 -1.11 -4.89 116.66 109.81 1hv4 n ARG 92 Ca 0.01 0.48 -0.42 0.00 -1.93 0.00 0.00 57.85 55.99 1hv4 n ARG 92 Cb 0.37 -4.27 -0.03 0.00 -1.16 0.00 0.00 32.46 27.37 1hv4 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1hv4 s VAL 93 N -3.51 3.90 0.04 1.55 1.01 0.05 -4.95 120.40 118.48 1hv4 s VAL 93 Ca 0.41 1.33 -0.30 0.00 0.00 0.00 0.00 61.98 63.42 1hv4 s VAL 93 Cb -0.14 -3.85 -0.08 0.00 0.00 0.00 0.00 36.38 32.31 1hv4 s VAL 93 CO 0.86 0.06 1.76 -0.62 0.00 0.00 0.00 175.10 177.16 1hv4 s ASP 94 N 1.30 6.55 0.64 3.32 -1.08 -1.26 -4.84 116.67 121.30 1hv4 s ASP 94 Ca 0.60 2.51 0.25 0.00 -0.52 0.00 0.00 52.55 55.39 1hv4 s ASP 94 Cb -0.30 -2.55 1.29 0.00 -1.46 0.00 0.00 42.92 39.90 1hv4 s ASP 94 CO 0.28 -0.96 1.73 1.55 0.52 0.00 0.00 175.17 178.29 1hv4 h PRO 95 N 9.27 0.00 -0.16 4.34 0.13 -1.97 -1.08 132.00 142.52 1hv4 h PRO 95 Ca -0.44 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.62 1hv4 h PRO 95 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1hv4 h PRO 95 CO 0.94 0.00 -0.22 -0.24 -0.23 0.00 0.00 178.00 178.26 1hv4 h VAL 96 N 0.00 1.23 0.00 1.56 3.04 -2.02 -3.00 116.25 117.06 1hv4 h VAL 96 Ca 0.08 -1.05 -0.02 0.00 -1.01 0.00 0.00 66.70 64.69 1hv4 h VAL 96 Cb 1.14 1.34 -0.00 0.00 -2.01 0.00 0.00 31.29 31.76 1hv4 h VAL 96 CO -0.00 0.33 -0.11 0.78 -1.01 0.00 0.00 177.57 177.55 1hv4 h ASN 97 N 0.26 0.00 0.20 3.17 4.21 -1.57 -2.68 115.58 119.17 1hv4 h ASN 97 Ca 0.04 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.51 1hv4 h ASN 97 Cb 0.53 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.72 1hv4 h ASN 97 CO 0.04 0.11 -0.22 -0.26 -1.29 0.00 0.00 177.43 175.81 1hv4 h PHE 98 N 0.00 0.04 0.27 1.19 0.04 -1.68 -2.21 116.94 114.59 1hv4 h PHE 98 Ca -0.00 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1hv4 h PHE 98 Cb 0.59 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.73 1hv4 h PHE 98 CO 0.00 0.25 -0.13 0.87 -0.60 0.00 0.00 178.31 178.70 1hv4 h LYS 99 N 0.03 -0.35 -0.75 1.51 1.57 -1.62 -2.27 116.57 114.70 1hv4 h LYS 99 Ca 0.00 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 58.96 1hv4 h LYS 99 Cb 0.41 0.08 -0.10 0.00 0.08 0.00 0.00 32.23 32.69 1hv4 h LYS 99 CO 0.03 -0.12 0.25 0.74 -0.57 0.00 0.00 179.45 179.78 1hv4 h PHE 100 N -0.52 0.42 -0.42 -1.35 0.05 -1.50 -1.08 116.94 112.54 1hv4 h PHE 100 Ca -0.04 0.04 -0.08 0.00 3.82 0.00 0.00 57.97 61.71 1hv4 h PHE 100 Cb 0.39 -0.07 -0.01 0.00 2.00 0.00 0.00 35.95 38.25 1hv4 h PHE 100 CO -0.02 0.00 -0.06 1.25 -0.18 0.00 0.00 178.31 179.31 1hv4 h LEU 101 N 0.37 0.78 -0.97 1.54 6.46 -1.33 -2.29 115.31 119.87 1hv4 h LEU 101 Ca 0.42 -0.34 -0.04 0.00 -0.12 0.00 0.00 57.88 57.80 1hv4 h LEU 101 Cb 0.67 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.35 1hv4 h LEU 101 CO -0.45 0.94 0.30 1.23 -0.62 0.00 0.00 178.44 179.84 1hv4 h GLY 102 N 0.61 1.12 0.96 3.75 0.00 -0.82 -1.39 103.07 107.30 1hv4 h GLY 102 Ca 0.11 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 1hv4 h GLY 102 CO 0.03 0.55 -0.14 0.84 0.00 0.00 0.00 176.54 177.82 1hv4 h HIS 103 N 1.02 -0.35 -0.78 5.60 -0.00 -1.08 -1.87 115.15 117.69 1hv4 h HIS 103 Ca 0.24 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.59 1hv4 h HIS 103 Cb 0.17 0.12 -0.04 0.00 -0.00 0.00 0.00 27.41 27.67 1hv4 h HIS 103 CO 0.02 -0.21 0.44 0.00 -0.00 0.00 0.00 177.93 178.17 1hv4 h PHE 105 N 1.08 0.25 -0.55 0.00 3.04 -0.92 0.18 116.94 120.02 1hv4 h PHE 105 Ca 0.28 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.24 1hv4 h PHE 105 Cb 0.01 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 38.47 1hv4 h PHE 105 CO -0.00 0.04 0.26 -0.07 -2.02 0.00 0.00 178.31 176.52 1hv4 h LEU 106 N 0.30 0.70 -0.68 0.59 3.38 -0.92 -1.23 115.31 117.45 1hv4 h LEU 106 Ca 0.26 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 1hv4 h LEU 106 Cb 0.33 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1hv4 h LEU 106 CO -0.30 0.60 0.29 0.58 0.09 0.00 0.00 178.44 179.69 1hv4 h VAL 107 N 0.78 1.24 -0.06 1.22 2.07 -0.21 -0.70 116.25 120.58 1hv4 h VAL 107 Ca 0.19 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1hv4 h VAL 107 Cb 0.09 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1hv4 h VAL 107 CO -0.03 0.29 0.02 0.58 0.02 0.00 0.00 177.57 178.46 1hv4 h VAL 108 N 0.96 1.15 -0.76 2.57 2.07 -0.32 -1.79 116.25 120.12 1hv4 h VAL 108 Ca 0.23 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.33 1hv4 h VAL 108 Cb 0.18 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1hv4 h VAL 108 CO -0.02 0.12 0.50 0.58 0.02 0.00 0.00 177.57 178.77 1hv4 h VAL 109 N -0.07 1.17 -0.79 2.57 2.07 -1.13 -2.37 116.25 117.70 1hv4 h VAL 109 Ca 0.02 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.25 1hv4 h VAL 109 Cb 0.18 0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 29.96 1hv4 h VAL 109 CO -0.00 0.18 0.48 0.00 0.02 0.00 0.00 177.57 178.25 1hv4 h ALA 110 N 1.29 1.07 -0.47 1.67 0.00 -0.87 0.35 119.26 122.31 1hv4 h ALA 110 Ca 0.29 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 1hv4 h ALA 110 Cb -0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1hv4 h ALA 110 CO -0.08 0.22 -0.19 0.82 0.00 0.00 0.00 179.25 180.02 1hv4 h ILE 111 N 0.89 1.27 0.00 0.00 2.04 -0.92 -3.04 117.51 117.75 1hv4 h ILE 111 Ca 0.34 -1.33 -0.22 0.00 1.00 0.00 0.00 64.86 64.65 1hv4 h ILE 111 Cb 0.14 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 1hv4 h ILE 111 CO -0.16 0.46 -1.90 1.41 0.00 0.00 0.00 178.15 177.95 1hv4 n HIS 112 N -4.12 0.43 -3.01 1.37 8.25 -0.93 -4.64 115.22 112.57 1hv4 n HIS 112 Ca 0.01 0.15 -0.16 0.00 -0.26 0.00 0.00 57.72 57.45 1hv4 n HIS 112 Cb 0.43 -0.95 -0.01 0.00 1.12 0.00 0.00 29.99 30.59 1hv4 n HIS 112 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1hv4 n HIS 113 N -2.72 0.69 0.23 4.41 8.25 0.12 -4.93 115.22 121.26 1hv4 n HIS 113 Ca -0.17 -3.51 0.17 0.00 -0.26 0.00 0.00 57.72 53.95 1hv4 n HIS 113 Cb 0.92 -0.40 0.74 0.00 1.12 0.00 0.00 29.99 32.36 1hv4 n HIS 113 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1hv4 h PRO 114 N 2.99 0.00 0.00 -0.41 0.13 -1.61 0.49 132.00 133.59 1hv4 h PRO 114 Ca 0.05 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.00 1hv4 h PRO 114 Cb 1.01 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.11 1hv4 h PRO 114 CO 0.52 0.00 -1.23 0.66 -0.23 0.00 0.00 178.00 177.72 1hv4 h SER 115 N 0.00 0.00 1.72 1.44 4.64 -1.91 -3.30 113.55 116.14 1hv4 h SER 115 Ca 0.09 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.39 1hv4 h SER 115 Cb 0.95 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1hv4 h SER 115 CO -0.00 0.64 -0.08 0.00 -0.87 0.00 0.00 176.83 176.53 1hv4 h ALA 116 N 1.36 0.96 -1.22 5.18 0.00 -0.41 -3.35 119.26 121.77 1hv4 h ALA 116 Ca -0.13 -0.07 -0.79 0.00 0.00 0.00 0.00 54.91 53.91 1hv4 h ALA 116 Cb 1.61 -0.01 -0.28 0.00 0.00 0.00 0.00 17.79 19.11 1hv4 h ALA 116 CO 0.06 0.09 0.99 -0.11 0.00 0.00 0.00 179.25 180.28 1hv4 n LEU 117 N -3.13 7.31 -4.74 0.00 7.94 -0.91 -4.77 117.00 118.70 1hv4 n LEU 117 Ca 0.03 -5.27 -0.31 0.00 -1.11 0.00 0.00 56.01 49.34 1hv4 n LEU 117 Cb 0.51 -1.13 0.11 0.00 0.53 0.00 0.00 43.42 43.45 1hv4 n LEU 117 CO 0.34 1.99 0.70 0.42 -1.11 0.00 0.00 177.39 179.73 1hv4 s THR 118 N -4.52 2.85 0.49 1.96 -4.23 -1.26 -4.68 115.64 106.25 1hv4 s THR 118 Ca 0.42 0.29 0.23 0.00 -1.18 0.00 0.00 61.69 61.45 1hv4 s THR 118 Cb 0.25 -2.63 0.40 0.00 1.34 0.00 0.00 72.50 71.86 1hv4 s THR 118 CO -0.20 -0.35 1.93 0.00 -0.54 0.00 0.00 174.62 175.47 1hv4 h ALA 119 N -1.25 2.43 -0.03 3.99 0.00 -1.96 -0.66 119.26 121.77 1hv4 h ALA 119 Ca -0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1hv4 h ALA 119 Cb 1.25 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1hv4 h ALA 119 CO 0.48 -0.64 -0.00 1.49 0.00 0.00 0.00 179.25 180.58 1hv4 h GLU 120 N 0.18 0.06 -0.35 0.00 4.81 -1.99 -2.48 114.58 114.81 1hv4 h GLU 120 Ca 0.36 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1hv4 h GLU 120 Cb 1.15 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 1hv4 h GLU 120 CO -0.06 0.39 0.22 0.28 -0.73 0.00 0.00 179.01 179.11 1hv4 h VAL 121 N -0.28 1.10 -0.94 0.32 2.07 -1.67 -2.20 116.25 114.65 1hv4 h VAL 121 Ca 0.01 -0.19 0.29 0.00 0.82 0.00 0.00 66.70 67.62 1hv4 h VAL 121 Cb 0.37 0.60 -0.16 0.00 -1.52 0.00 0.00 31.29 30.58 1hv4 h VAL 121 CO 0.00 0.09 0.31 -0.74 0.02 0.00 0.00 177.57 177.25 1hv4 h HIS 122 N 0.47 0.46 -0.19 1.57 -0.00 -0.96 0.56 115.15 117.06 1hv4 h HIS 122 Ca 0.13 0.05 -0.19 0.00 -0.00 0.00 0.00 60.37 60.35 1hv4 h HIS 122 Cb -0.04 -0.05 0.01 0.00 -0.00 0.00 0.00 27.41 27.33 1hv4 h HIS 122 CO -0.05 -0.29 -0.64 0.00 -0.00 0.00 0.00 177.93 176.96 1hv4 h ALA 123 N 1.87 0.33 -0.63 5.26 0.00 -0.95 -1.85 119.26 123.28 1hv4 h ALA 123 Ca 0.64 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1hv4 h ALA 123 Cb 1.41 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1hv4 h ALA 123 CO -0.71 0.61 0.18 0.77 0.00 0.00 0.00 179.25 180.10 1hv4 h SER 124 N 0.49 0.90 -0.39 0.00 0.02 0.28 -2.11 113.55 112.75 1hv4 h SER 124 Ca -0.03 -0.16 -0.11 0.00 -0.84 0.00 0.00 61.79 60.65 1hv4 h SER 124 Cb 1.26 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.55 1hv4 h SER 124 CO 0.13 0.86 -0.17 -0.07 -1.14 0.00 0.00 176.83 176.44 1hv4 h LEU 125 N 0.94 0.88 -0.75 5.07 3.38 -0.10 -2.15 115.31 122.57 1hv4 h LEU 125 Ca 0.21 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1hv4 h LEU 125 Cb 0.29 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1hv4 h LEU 125 CO -0.01 1.04 0.25 -0.78 0.09 0.00 0.00 178.44 179.03 1hv4 h ASP 126 N 0.77 1.08 0.27 -0.43 1.82 -0.88 -1.24 116.42 117.80 1hv4 h ASP 126 Ca 0.11 -0.20 -0.11 0.00 -0.39 0.00 0.00 57.03 56.44 1hv4 h ASP 126 Cb 0.70 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.42 1hv4 h ASP 126 CO 0.05 0.99 -0.44 0.11 -1.61 0.00 0.00 179.24 178.34 1hv4 h LYS 127 N 1.10 0.22 -0.06 0.28 1.57 -1.28 -2.03 116.57 116.37 1hv4 h LYS 127 Ca 0.24 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1hv4 h LYS 127 Cb 0.29 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 1hv4 h LYS 127 CO -0.01 0.62 0.02 0.35 -0.57 0.00 0.00 179.45 179.86 1hv4 h PHE 128 N 0.18 0.10 -0.62 -1.35 3.57 -0.78 -1.86 116.94 116.18 1hv4 h PHE 128 Ca 0.01 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 1hv4 h PHE 128 Cb 0.86 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 1hv4 h PHE 128 CO 0.01 0.27 0.06 -0.07 -2.23 0.00 0.00 178.31 176.36 1hv4 h LEU 129 N -0.09 1.01 -0.99 0.59 3.38 -1.16 0.46 115.31 118.51 1hv4 h LEU 129 Ca 0.02 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 1hv4 h LEU 129 Cb 0.22 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1hv4 h LEU 129 CO -0.00 1.04 0.03 0.00 0.09 0.00 0.00 178.44 179.60 1hv4 h ALA 131 N 1.32 0.14 0.74 0.00 0.00 -0.90 0.13 119.26 120.69 1hv4 h ALA 131 Ca 0.15 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1hv4 h ALA 131 Cb 0.40 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1hv4 h ALA 131 CO 0.01 -0.26 -0.36 0.28 0.00 0.00 0.00 179.25 178.93 1hv4 h VAL 132 N -0.01 0.26 -0.73 0.00 2.07 -0.59 -2.13 116.25 115.12 1hv4 h VAL 132 Ca 0.03 -0.02 0.14 0.00 0.82 0.00 0.00 66.70 67.67 1hv4 h VAL 132 Cb 0.21 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 1hv4 h VAL 132 CO -0.00 0.00 0.49 1.23 0.02 0.00 0.00 177.57 179.31 1hv4 h GLY 133 N -1.01 0.71 0.80 2.17 0.00 -0.53 -0.31 103.07 104.90 1hv4 h GLY 133 Ca -0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 1hv4 h GLY 133 CO 0.17 0.08 -0.41 -0.84 0.00 0.00 0.00 176.54 175.53 1hv4 h THR 134 N 0.44 0.00 -0.93 4.70 2.02 -0.35 -2.89 112.91 115.91 1hv4 h THR 134 Ca 0.35 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.72 1hv4 h THR 134 Cb 0.77 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.07 1hv4 h THR 134 CO -0.11 0.00 0.50 0.58 0.37 0.00 0.00 175.52 176.86 1hv4 h VAL 135 N -1.11 0.65 0.00 3.16 2.07 -0.68 4.31 116.25 124.66 1hv4 h VAL 135 Ca -0.11 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1hv4 h VAL 135 Cb 0.86 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1hv4 h VAL 135 CO 0.17 0.11 0.00 0.18 0.02 0.00 0.00 177.57 178.05 1hv4 n LEU 136 N -4.88 0.00 0.00 2.57 7.99 -0.21 -2.55 117.00 119.92 1hv4 n LEU 136 Ca 0.21 0.47 0.00 0.00 -0.01 0.00 0.00 56.01 56.68 1hv4 n LEU 136 Cb 0.56 -0.47 0.00 0.00 -0.11 0.00 0.00 43.42 43.40 1hv4 n LEU 136 CO 0.19 -0.27 -0.28 0.35 -1.51 0.00 0.00 177.39 175.86 1hv4 n THR 137 N -1.47 0.00 0.22 -5.08 -2.24 -0.60 -3.59 114.28 101.52 1hv4 n THR 137 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1hv4 n THR 137 Cb 0.14 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 1hv4 n THR 137 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hv4 n ALA 138 N -1.08 0.00 -0.63 6.98 0.00 1.41 -2.31 120.51 124.89 1hv4 n ALA 138 Ca 0.00 0.00 0.48 0.00 0.00 0.00 0.00 53.44 53.92 1hv4 n ALA 138 Cb 0.13 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.34 1hv4 n ALA 138 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1hv4 n LYS 139 N -1.92 -0.01 0.00 0.00 3.00 -1.26 0.47 118.16 118.45 1hv4 n LYS 139 Ca 0.00 1.07 0.00 0.00 -0.00 0.00 0.00 58.31 59.38 1hv4 n LYS 139 Cb 0.76 -2.38 0.00 0.00 0.00 0.00 0.00 35.03 33.41 1hv4 n LYS 139 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1hv4 n TYR 140 N -4.03 0.00 -1.40 5.64 0.53 -0.98 -5.16 117.16 111.77 1hv4 n TYR 140 Ca 0.42 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.30 1hv4 n TYR 140 Cb 1.83 -0.08 0.00 0.00 -1.03 0.00 0.00 39.34 40.06 1hv4 n TYR 140 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38