#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 -3.11 0.00 1.34 4.77 -1.26 -5.02 117.00 113.71 1hv4 n LEU 2 Ca 0.00 0.76 -0.15 0.00 -0.03 0.00 0.00 56.01 56.58 1hv4 n LEU 2 Cb 0.00 -1.56 0.13 0.00 -2.33 0.00 0.00 43.42 39.66 1hv4 n LEU 2 CO 0.00 -0.62 0.29 -1.54 -1.33 0.00 0.00 177.39 174.19 1hv4 n SER 3 N 0.47 -1.76 -0.04 -1.43 3.41 -1.26 -4.80 113.62 108.21 1hv4 n SER 3 Ca 0.00 -0.79 -0.14 0.00 -0.26 0.00 0.00 58.87 57.69 1hv4 n SER 3 Cb 0.00 -0.51 -0.09 0.00 -0.26 0.00 0.00 64.21 63.35 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 -2.44 0.11 -0.02 7.33 0.00 -1.99 -2.58 119.26 119.68 1hv4 h ALA 4 Ca -0.21 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.38 1hv4 h ALA 4 Cb 0.65 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1hv4 h ALA 4 CO 0.14 -0.01 -0.05 0.00 0.00 0.00 0.00 179.25 179.33 1hv4 h ALA 5 N 0.50 -0.03 -0.64 0.00 0.00 -1.99 0.12 119.26 117.22 1hv4 h ALA 5 Ca 0.00 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.03 1hv4 h ALA 5 Cb 0.70 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.50 1hv4 h ALA 5 CO 0.03 -0.54 0.24 -0.44 0.00 0.00 0.00 179.25 178.55 1hv4 h ASP 6 N -0.08 0.24 -0.58 0.00 3.45 -1.92 0.20 116.42 117.72 1hv4 h ASP 6 Ca 0.03 0.08 -0.01 0.00 0.43 0.00 0.00 57.03 57.56 1hv4 h ASP 6 Cb 0.11 0.06 -0.03 0.00 -0.56 0.00 0.00 39.33 38.92 1hv4 h ASP 6 CO -0.06 0.13 0.31 0.11 -1.57 0.00 0.00 179.24 178.15 1hv4 h LYS 7 N 0.42 0.82 -0.28 3.56 1.57 -0.97 -0.53 116.57 121.16 1hv4 h LYS 7 Ca 0.33 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1hv4 h LYS 7 Cb 0.43 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1hv4 h LYS 7 CO -0.33 0.64 0.13 1.15 -0.57 0.00 0.00 179.45 180.47 1hv4 h THR 8 N 0.79 1.16 -0.25 -0.16 2.02 0.17 -0.60 112.91 116.05 1hv4 h THR 8 Ca 0.20 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1hv4 h THR 8 Cb 0.07 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1hv4 h THR 8 CO -0.03 0.16 0.10 0.78 0.37 0.00 0.00 175.52 176.90 1hv4 h ASN 9 N 0.32 0.33 -0.06 4.18 -0.26 -0.47 -0.41 115.58 119.22 1hv4 h ASN 9 Ca 0.10 -0.15 0.03 0.00 -0.56 0.00 0.00 56.30 55.72 1hv4 h ASN 9 Cb 0.13 -0.09 -0.04 0.00 -1.06 0.00 0.00 38.32 37.27 1hv4 h ASN 9 CO -0.01 0.39 -0.16 0.58 -1.06 0.00 0.00 177.43 177.18 1hv4 h VAL 10 N 0.25 0.61 -0.67 2.81 2.07 -0.96 -1.53 116.25 118.83 1hv4 h VAL 10 Ca 0.08 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.69 1hv4 h VAL 10 Cb 0.16 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 30.47 1hv4 h VAL 10 CO -0.01 0.00 0.32 0.11 0.02 0.00 0.00 177.57 178.01 1hv4 h LYS 11 N -0.23 0.54 0.28 1.57 1.57 -0.94 -2.29 116.57 117.07 1hv4 h LYS 11 Ca 0.07 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1hv4 h LYS 11 Cb 0.32 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1hv4 h LYS 11 CO -0.19 0.36 -0.37 0.78 -0.57 0.00 0.00 179.45 179.46 1hv4 h GLY 12 N 0.55 -1.13 2.00 3.86 0.00 -0.10 -1.25 103.07 107.00 1hv4 h GLY 12 Ca 0.33 0.54 -0.00 0.00 0.00 0.00 0.00 47.33 48.20 1hv4 h GLY 12 CO -0.26 -0.34 -0.00 -0.24 0.00 0.00 0.00 176.54 175.70 1hv4 h VAL 13 N -0.67 0.06 0.00 4.60 3.04 -1.28 0.24 116.25 122.23 1hv4 h VAL 13 Ca -0.03 -0.04 -0.06 0.00 -1.01 0.00 0.00 66.70 65.55 1hv4 h VAL 13 Cb 0.60 1.04 -0.01 0.00 -2.01 0.00 0.00 31.29 30.91 1hv4 h VAL 13 CO -0.09 0.00 -0.54 -0.26 -1.01 0.00 0.00 177.57 175.67 1hv4 h PHE 14 N 0.00 0.00 -0.24 3.17 0.04 -0.99 -3.05 116.94 115.87 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 0.04 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 1hv4 h PHE 14 CO 0.00 0.27 -0.41 0.66 -0.60 0.00 0.00 178.31 178.24 1hv4 h SER 15 N 0.00 0.59 0.65 2.17 4.64 0.67 -0.40 113.55 121.87 1hv4 h SER 15 Ca -0.02 -0.26 -0.15 0.00 -0.47 0.00 0.00 61.79 60.89 1hv4 h SER 15 Cb 1.23 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 1hv4 h SER 15 CO 0.03 0.93 -0.70 0.11 -0.87 0.00 0.00 176.83 176.33 1hv4 h LYS 16 N 0.46 0.03 0.00 4.77 6.56 -1.50 -3.25 116.57 123.64 1hv4 h LYS 16 Ca 0.04 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 1hv4 h LYS 16 Cb 0.90 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.57 1hv4 h LYS 16 CO 0.08 0.72 -1.26 0.44 -2.06 0.00 0.00 179.45 177.36 1hv4 n ILE 17 N -3.73 0.27 -1.58 1.86 -5.35 -1.16 -4.92 119.36 104.76 1hv4 n ILE 17 Ca -0.01 -0.41 -0.42 0.00 -0.27 0.00 0.00 62.75 61.64 1hv4 n ILE 17 Cb 0.68 -0.02 0.01 0.00 -1.74 0.00 0.00 39.64 38.57 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 -2.27 0.85 0.00 7.28 3.41 -0.17 -1.97 113.62 120.75 1hv4 n SER 18 Ca -0.00 1.03 0.00 0.00 -0.26 0.00 0.00 58.87 59.64 1hv4 n SER 18 Cb 0.51 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.16 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 1.31 0.78 0.00 5.00 0.00 -1.26 -4.89 105.19 106.12 1hv4 n GLY 19 Ca 0.10 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.94 0.00 -0.18 1.61 -0.00 -0.83 -4.96 115.22 107.92 1hv4 n HIS 20 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.64 1hv4 n HIS 20 Cb 0.23 0.08 -0.07 0.00 -0.00 0.00 0.00 29.99 30.23 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 -0.49 -0.82 -1.41 0.00 -1.91 0.24 119.26 114.88 1hv4 h ALA 21 Ca 0.00 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1hv4 h ALA 21 Cb 0.86 1.12 -0.11 0.00 0.00 0.00 0.00 17.79 19.66 1hv4 h ALA 21 CO 0.00 -0.71 -0.57 1.49 0.00 0.00 0.00 179.25 179.46 1hv4 h GLU 22 N -0.13 -0.12 0.23 0.00 4.57 -1.88 0.16 114.58 117.41 1hv4 h GLU 22 Ca 0.08 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 1hv4 h GLU 22 Cb 0.33 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1hv4 h GLU 22 CO -0.50 -0.08 -0.11 1.49 -1.18 0.00 0.00 179.01 178.63 1hv4 h GLU 23 N -0.12 -0.30 -0.12 1.92 4.81 -1.59 -2.87 114.58 116.30 1hv4 h GLU 23 Ca 0.14 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1hv4 h GLU 23 Cb 0.47 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 1hv4 h GLU 23 CO -0.84 -0.09 -0.02 1.88 -0.73 0.00 0.00 179.01 179.21 1hv4 h TYR 24 N -0.45 0.26 -0.64 0.92 0.99 -0.36 -2.61 116.97 115.08 1hv4 h TYR 24 Ca -0.03 -0.05 0.12 0.00 2.00 0.00 0.00 58.73 60.76 1hv4 h TYR 24 Cb 0.34 -0.07 -0.09 0.00 1.00 0.00 0.00 36.73 37.92 1hv4 h TYR 24 CO -0.02 0.52 0.18 0.78 -0.00 0.00 0.00 178.16 179.61 1hv4 h GLY 25 N -0.07 0.86 1.32 3.88 0.00 -0.79 0.18 103.07 108.46 1hv4 h GLY 25 Ca 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1hv4 h GLY 25 CO 0.01 -0.10 0.37 0.00 0.00 0.00 0.00 176.54 176.82 1hv4 h ALA 26 N 1.49 1.42 -0.19 3.60 0.00 -1.47 -2.17 119.26 121.94 1hv4 h ALA 26 Ca 0.34 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 55.00 1hv4 h ALA 26 Cb 0.49 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1hv4 h ALA 26 CO -0.39 0.49 -0.50 1.49 0.00 0.00 0.00 179.25 180.34 1hv4 h GLU 27 N 0.91 0.67 -0.48 0.00 4.81 -0.45 -2.28 114.58 117.76 1hv4 h GLU 27 Ca 0.23 -0.47 -0.09 0.00 -0.13 0.00 0.00 59.36 58.91 1hv4 h GLU 27 Cb 0.00 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1hv4 h GLU 27 CO -0.04 1.09 -0.05 1.79 -0.73 0.00 0.00 179.01 181.07 1hv4 h THR 28 N 0.36 1.25 -0.24 0.32 1.35 -0.61 -1.45 112.91 113.89 1hv4 h THR 28 Ca -0.01 -1.10 -0.01 0.00 -0.55 0.00 0.00 66.41 64.74 1hv4 h THR 28 Cb 1.11 0.94 -0.01 0.00 -1.73 0.00 0.00 68.15 68.46 1hv4 h THR 28 CO 0.11 0.38 0.10 -0.07 -0.25 0.00 0.00 175.52 175.79 1hv4 h LEU 29 N 0.76 0.33 -1.40 3.87 3.38 -1.37 -0.58 115.31 120.29 1hv4 h LEU 29 Ca 0.14 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1hv4 h LEU 29 Cb 0.53 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1hv4 h LEU 29 CO 0.03 0.39 -0.24 -0.08 0.09 0.00 0.00 178.44 178.63 1hv4 h GLU 30 N 0.24 0.09 -0.01 1.13 4.81 -1.22 -1.48 114.58 118.14 1hv4 h GLU 30 Ca 0.08 -0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.10 1hv4 h GLU 30 Cb 0.17 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1hv4 h GLU 30 CO -0.01 0.33 -0.83 0.00 -0.73 0.00 0.00 179.01 177.77 1hv4 h ARG 31 N 0.08 0.22 -0.20 1.92 3.08 -0.98 -2.35 114.38 116.15 1hv4 h ARG 31 Ca 0.01 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.81 1hv4 h ARG 31 Cb 0.47 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1hv4 h ARG 31 CO 0.03 0.93 0.00 1.98 -1.07 0.00 0.00 179.97 181.85 1hv4 h MET 32 N 0.13 0.35 0.00 0.04 4.05 -0.38 -0.09 114.93 119.03 1hv4 h MET 32 Ca -0.04 -0.11 -0.08 0.00 -0.28 0.00 0.00 59.70 59.19 1hv4 h MET 32 Cb 1.44 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 32.19 1hv4 h MET 32 CO 0.13 0.55 -0.36 0.74 0.23 0.00 0.00 176.91 178.20 1hv4 h PHE 33 N 0.12 0.00 0.14 1.39 0.04 -1.33 0.14 116.94 117.44 1hv4 h PHE 33 Ca 0.06 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.55 1hv4 h PHE 33 Cb 0.39 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.54 1hv4 h PHE 33 CO 0.03 0.36 -1.27 1.15 -0.60 0.00 0.00 178.31 177.99 1hv4 h THR 34 N 0.00 1.48 0.00 -1.55 2.02 -1.21 -3.02 112.91 110.62 1hv4 h THR 34 Ca -0.00 -3.03 -0.11 0.00 0.77 0.00 0.00 66.41 64.04 1hv4 h THR 34 Cb 0.70 2.96 -0.02 0.00 -1.74 0.00 0.00 68.15 70.04 1hv4 h THR 34 CO 0.05 0.89 -2.08 0.00 0.37 0.00 0.00 175.52 174.75 1hv4 n ALA 35 N -2.55 2.41 -3.11 6.16 0.00 -0.06 -4.54 120.51 118.81 1hv4 n ALA 35 Ca -0.09 -0.75 -0.23 0.00 0.00 0.00 0.00 53.44 52.37 1hv4 n ALA 35 Cb 1.03 -0.60 -0.04 0.00 0.00 0.00 0.00 19.45 19.84 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 -2.42 2.09 -0.38 0.00 4.02 0.50 -4.97 117.16 115.99 1hv4 n TYR 36 Ca -0.12 -3.90 0.29 0.00 -0.01 0.00 0.00 57.90 54.16 1hv4 n TYR 36 Cb 0.74 -0.46 0.57 0.00 -0.02 0.00 0.00 39.34 40.17 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 3.23 0.23 0.00 -0.72 0.13 -1.65 -0.36 132.00 132.86 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 0.74 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1hv4 h PRO 37 CO 0.66 0.16 0.01 -0.56 -0.23 0.00 0.00 178.00 178.04 1hv4 h GLN 38 N 0.24 0.00 0.00 0.86 -0.00 -1.91 0.59 115.11 114.89 1hv4 h GLN 38 Ca 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.37 1hv4 h GLN 38 Cb 2.01 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.49 1hv4 h GLN 38 CO -0.41 0.00 0.00 0.25 -0.00 0.00 0.00 178.83 178.67 1hv4 n THR 39 N -2.66 0.78 -0.36 1.86 -2.24 -0.15 -2.67 114.28 108.83 1hv4 n THR 39 Ca -0.02 0.13 0.01 0.00 -2.27 0.00 0.00 64.05 61.90 1hv4 n THR 39 Cb 0.06 -1.01 0.15 0.00 -2.10 0.00 0.00 70.33 67.42 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 1.17 -1.20 -0.78 1.57 -1.07 -2.78 116.57 113.49 1hv4 h LYS 40 Ca 0.00 -0.07 0.35 0.00 -1.87 0.00 0.00 60.65 59.06 1hv4 h LYS 40 Cb 0.42 -0.26 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 1hv4 h LYS 40 CO 0.00 0.78 1.04 2.41 -0.57 0.00 0.00 179.45 183.11 1hv4 n THR 41 N -4.48 0.00 1.15 -0.16 -1.04 -1.09 0.14 114.28 108.80 1hv4 n THR 41 Ca 0.14 1.08 0.13 0.00 -2.04 0.00 0.00 64.05 63.35 1hv4 n THR 41 Cb 0.12 -1.85 0.37 0.00 -1.82 0.00 0.00 70.33 67.15 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 -3.17 0.00 -2.95 -1.42 4.01 -1.05 -4.35 117.16 108.24 1hv4 n TYR 42 Ca 0.27 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.79 1hv4 n TYR 42 Cb 1.40 -0.21 -0.03 0.00 -0.31 0.00 0.00 39.34 40.20 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 -1.10 2.46 0.11 -0.72 3.01 0.37 -4.86 117.46 116.72 1hv4 n PHE 43 Ca 0.09 -3.74 0.06 0.00 1.01 0.00 0.00 57.45 54.87 1hv4 n PHE 43 Cb 0.33 -0.41 0.51 0.00 -0.01 0.00 0.00 39.48 39.90 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 2.94 0.32 -0.82 -1.08 0.11 -1.76 -1.05 132.00 130.66 1hv4 h PRO 44 Ca 0.12 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1hv4 h PRO 44 Cb 0.76 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.80 1hv4 h PRO 44 CO 0.69 0.21 0.00 -2.39 -0.21 0.00 0.00 178.00 176.30 1hv4 n HIS 45 N -4.50 0.52 -4.36 0.65 1.44 -1.26 -4.87 115.22 102.84 1hv4 n HIS 45 Ca 0.01 -0.19 -0.31 0.00 -2.01 0.00 0.00 57.72 55.22 1hv4 n HIS 45 Cb 0.07 -0.19 -0.10 0.00 0.12 0.00 0.00 29.99 29.89 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 -1.49 2.81 -0.73 -1.40 2.99 -0.40 -5.05 117.98 114.71 1hv4 s PHE 46 Ca 0.14 -0.10 -0.26 0.00 0.00 0.00 0.00 56.93 56.71 1hv4 s PHE 46 Cb 0.11 -1.52 0.04 0.00 0.00 0.00 0.00 43.02 41.64 1hv4 s PHE 46 CO 0.05 0.39 1.23 0.34 -0.00 0.00 0.00 175.22 177.22 1hv4 s ASP 47 N -1.80 6.17 0.00 1.36 -1.08 -1.26 -4.88 116.67 115.17 1hv4 s ASP 47 Ca 0.19 -0.57 0.28 0.00 -0.52 0.00 0.00 52.55 51.93 1hv4 s ASP 47 Cb -0.11 -2.53 0.99 0.00 -1.46 0.00 0.00 42.92 39.81 1hv4 s ASP 47 CO 0.11 -1.76 1.71 0.18 0.52 0.00 0.00 175.17 175.93 1hv4 n LEU 48 N 9.06 1.25 -4.72 -1.34 4.32 -1.26 -4.43 117.00 119.87 1hv4 n LEU 48 Ca 0.02 -0.38 -0.42 0.00 -0.02 0.00 0.00 56.01 55.21 1hv4 n LEU 48 Cb 0.48 -0.05 -0.03 0.00 -1.62 0.00 0.00 43.42 42.21 1hv4 n LEU 48 CO 0.70 0.21 1.36 0.00 -1.22 0.00 0.00 177.39 178.44 1hv4 s GLN 49 N -2.18 4.12 -0.00 3.23 0.00 -1.26 -4.81 119.66 118.75 1hv4 s GLN 49 Ca 0.34 2.60 -0.32 0.00 -0.00 0.00 0.00 55.36 57.97 1hv4 s GLN 49 Cb 0.20 -3.07 -0.16 0.00 0.00 0.00 0.00 33.01 29.98 1hv4 s GLN 49 CO 0.40 -0.74 0.87 1.58 0.00 0.00 0.00 175.29 177.40 1hv4 n HIS 50 N 3.85 0.52 -1.48 9.60 -0.00 -1.26 -1.47 115.22 124.98 1hv4 n HIS 50 Ca 0.15 0.86 -0.09 0.00 -0.00 0.00 0.00 57.72 58.64 1hv4 n HIS 50 Cb 0.35 -1.69 -0.03 0.00 -0.00 0.00 0.00 29.99 28.62 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 1.22 0.80 3.74 1.57 0.00 -1.26 -5.01 105.19 106.26 1hv4 n GLY 51 Ca 0.16 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.83 4.61 0.25 1.61 1.04 -0.54 -4.89 113.70 112.96 1hv4 s SER 52 Ca 0.00 2.18 -0.02 0.00 0.48 0.00 0.00 55.95 58.59 1hv4 s SER 52 Cb 0.00 -2.57 0.32 0.00 0.10 0.00 0.00 66.02 63.87 1hv4 s SER 52 CO 0.00 -1.97 1.75 0.00 0.98 0.00 0.00 173.24 174.00 1hv4 h ALA 53 N -0.16 1.08 0.48 5.32 0.00 -1.90 -1.97 119.26 122.12 1hv4 h ALA 53 Ca -0.47 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.15 1hv4 h ALA 53 Cb 1.27 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1hv4 h ALA 53 CO 0.52 0.58 -0.23 1.96 0.00 0.00 0.00 179.25 182.07 1hv4 h GLN 54 N 0.75 -0.62 -0.99 0.00 4.20 -1.92 0.40 115.11 116.93 1hv4 h GLN 54 Ca 0.14 0.04 0.11 0.00 0.06 0.00 0.00 58.65 59.01 1hv4 h GLN 54 Cb 0.47 0.14 -0.08 0.00 0.30 0.00 0.00 27.48 28.31 1hv4 h GLN 54 CO 0.02 -0.40 0.62 0.82 -0.67 0.00 0.00 178.83 179.22 1hv4 h ILE 55 N -0.69 0.94 0.12 2.54 2.04 -1.74 0.15 117.51 120.87 1hv4 h ILE 55 Ca -0.07 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 1hv4 h ILE 55 Cb 0.52 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1hv4 h ILE 55 CO 0.11 0.18 -0.06 0.11 0.00 0.00 0.00 178.15 178.49 1hv4 h LYS 56 N 1.00 -0.15 -0.39 2.37 1.57 -1.10 0.49 116.57 120.37 1hv4 h LYS 56 Ca 0.48 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.30 1hv4 h LYS 56 Cb 0.44 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 1hv4 h LYS 56 CO -0.25 0.09 0.18 0.00 -0.57 0.00 0.00 179.45 178.89 1hv4 h ALA 57 N 0.47 0.47 -0.25 3.86 0.00 -0.24 0.02 119.26 123.59 1hv4 h ALA 57 Ca -0.02 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1hv4 h ALA 57 Cb 0.31 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1hv4 h ALA 57 CO 0.03 -0.19 -0.09 1.25 0.00 0.00 0.00 179.25 180.25 1hv4 h HIS 58 N 0.37 0.56 -0.26 0.00 -0.00 -0.67 -2.24 115.15 112.91 1hv4 h HIS 58 Ca 0.17 -0.13 0.06 0.00 -0.00 0.00 0.00 60.37 60.47 1hv4 h HIS 58 Cb 0.10 -0.13 -0.08 0.00 -0.00 0.00 0.00 27.41 27.29 1hv4 h HIS 58 CO -0.11 0.73 -0.40 0.78 -0.00 0.00 0.00 177.93 178.94 1hv4 h GLY 59 N 0.23 -0.56 0.10 5.26 0.00 0.46 0.12 103.07 108.69 1hv4 h GLY 59 Ca 0.06 0.50 0.16 0.00 0.00 0.00 0.00 47.33 48.05 1hv4 h GLY 59 CO 0.03 -0.21 0.38 1.70 0.00 0.00 0.00 176.54 178.44 1hv4 h LYS 60 N -0.39 0.49 -0.45 4.80 3.64 -0.90 -1.59 116.57 122.17 1hv4 h LYS 60 Ca 0.11 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1hv4 h LYS 60 Cb 0.59 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1hv4 h LYS 60 CO -0.47 0.33 0.17 0.87 -2.27 0.00 0.00 179.45 178.07 1hv4 h LYS 61 N 0.51 0.68 0.49 1.90 1.79 -0.25 -0.97 116.57 120.71 1hv4 h LYS 61 Ca 0.47 -0.13 -0.01 0.00 -2.18 0.00 0.00 60.65 58.79 1hv4 h LYS 61 Cb 0.74 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.26 1hv4 h LYS 61 CO -0.42 0.64 -0.48 0.28 -1.08 0.00 0.00 179.45 178.40 1hv4 h VAL 62 N 0.59 0.00 -0.12 0.50 2.07 0.12 -1.80 116.25 117.61 1hv4 h VAL 62 Ca 0.15 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.62 1hv4 h VAL 62 Cb 0.22 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1hv4 h VAL 62 CO -0.01 0.00 -0.16 1.62 0.02 0.00 0.00 177.57 179.05 1hv4 h VAL 63 N -0.96 1.18 -0.91 2.57 3.04 -1.51 -1.88 116.25 117.78 1hv4 h VAL 63 Ca -0.06 -0.79 0.09 0.00 -1.01 0.00 0.00 66.70 64.92 1hv4 h VAL 63 Cb 0.83 1.26 -0.06 0.00 -2.01 0.00 0.00 31.29 31.31 1hv4 h VAL 63 CO -0.05 0.24 0.59 0.00 -1.01 0.00 0.00 177.57 177.34 1hv4 h ALA 64 N 1.67 1.57 -0.15 3.17 0.00 -0.80 0.14 119.26 124.86 1hv4 h ALA 64 Ca 0.03 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 1hv4 h ALA 64 Cb 0.39 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1hv4 h ALA 64 CO 0.02 0.26 -0.76 0.00 0.00 0.00 0.00 179.25 178.78 1hv4 h ALA 65 N 1.53 0.37 -0.75 0.00 0.00 -0.55 -0.96 119.26 118.89 1hv4 h ALA 65 Ca 0.41 -0.60 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1hv4 h ALA 65 Cb 0.33 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1hv4 h ALA 65 CO -0.17 0.70 0.30 -0.07 0.00 0.00 0.00 179.25 180.00 1hv4 h LEU 66 N 0.51 1.03 0.10 0.00 3.38 -0.77 -0.04 115.31 119.51 1hv4 h LEU 66 Ca -0.05 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1hv4 h LEU 66 Cb 1.38 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1hv4 h LEU 66 CO 0.15 0.92 -0.05 0.58 0.09 0.00 0.00 178.44 180.13 1hv4 h VAL 67 N 1.09 1.01 -0.98 1.22 2.07 -0.70 -1.68 116.25 118.28 1hv4 h VAL 67 Ca 0.25 -0.40 0.20 0.00 0.82 0.00 0.00 66.70 67.57 1hv4 h VAL 67 Cb 0.21 1.27 -0.11 0.00 -1.52 0.00 0.00 31.29 31.14 1hv4 h VAL 67 CO -0.02 0.10 0.58 -0.08 0.02 0.00 0.00 177.57 178.17 1hv4 h GLU 68 N -0.31 0.67 -0.25 1.57 4.57 -0.61 0.39 114.58 120.60 1hv4 h GLU 68 Ca -0.01 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.06 1hv4 h GLU 68 Cb 0.26 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1hv4 h GLU 68 CO 0.02 0.44 -0.15 0.00 -1.18 0.00 0.00 179.01 178.14 1hv4 h ALA 69 N 1.66 1.28 -0.55 2.92 0.00 -0.49 -2.67 119.26 121.41 1hv4 h ALA 69 Ca 0.58 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 1hv4 h ALA 69 Cb 0.97 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1hv4 h ALA 69 CO -0.41 0.48 -0.07 0.28 0.00 0.00 0.00 179.25 179.53 1hv4 h VAL 70 N 0.39 1.26 -0.15 0.00 2.07 0.67 0.17 116.25 120.67 1hv4 h VAL 70 Ca 0.07 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 1hv4 h VAL 70 Cb 0.50 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1hv4 h VAL 70 CO 0.03 0.43 0.03 0.78 0.02 0.00 0.00 177.57 178.86 1hv4 h ASN 71 N 0.90 0.18 -0.73 0.57 2.35 -1.06 -1.73 115.58 116.07 1hv4 h ASN 71 Ca 0.15 -0.01 -0.52 0.00 -0.55 0.00 0.00 56.30 55.37 1hv4 h ASN 71 Cb 0.61 -0.05 -0.36 0.00 0.05 0.00 0.00 38.32 38.58 1hv4 h ASN 71 CO 0.04 0.19 -0.44 1.41 -1.65 0.00 0.00 177.43 176.98 1hv4 n HIS 72 N -4.45 2.57 0.00 1.19 8.25 -0.93 -4.79 115.22 117.07 1hv4 n HIS 72 Ca -0.01 -2.29 0.00 0.00 -0.26 0.00 0.00 57.72 55.17 1hv4 n HIS 72 Cb 0.13 -0.55 0.00 0.00 1.12 0.00 0.00 29.99 30.69 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 -0.80 0.00 0.42 1.59 3.06 0.55 -0.11 119.36 124.07 1hv4 n ILE 73 Ca 0.45 0.00 0.10 0.00 -2.50 0.00 0.00 62.75 60.80 1hv4 n ILE 73 Cb 0.90 -0.88 -0.13 0.00 0.54 0.00 0.00 39.64 40.07 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 -0.81 0.68 -3.05 9.51 9.92 -1.26 -4.61 116.55 126.93 1hv4 n ASP 74 Ca 0.00 -0.45 -0.15 0.00 -0.53 0.00 0.00 54.79 53.65 1hv4 n ASP 74 Cb 0.00 1.48 0.00 0.00 -0.64 0.00 0.00 41.12 41.96 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 -1.84 -0.04 -0.34 -2.24 4.64 0.84 -4.96 116.55 112.60 1hv4 n ASP 75 Ca -0.00 -3.19 0.10 0.00 -1.38 0.00 0.00 54.79 50.31 1hv4 n ASP 75 Cb 0.41 0.09 0.27 0.00 -1.04 0.00 0.00 41.12 40.86 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 1.58 0.78 0.82 5.18 2.04 -1.79 0.31 117.51 126.43 1hv4 h ILE 76 Ca 0.04 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 1hv4 h ILE 76 Cb 1.01 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1hv4 h ILE 76 CO 0.40 0.15 -0.49 0.00 0.00 0.00 0.00 178.15 178.20 1hv4 h ALA 77 N 1.59 -1.27 -0.39 1.87 0.00 -1.93 0.02 119.26 119.15 1hv4 h ALA 77 Ca 0.53 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 55.26 1hv4 h ALA 77 Cb 0.72 0.59 -0.07 0.00 0.00 0.00 0.00 17.79 19.03 1hv4 h ALA 77 CO -0.34 -1.23 -0.06 0.78 0.00 0.00 0.00 179.25 178.40 1hv4 h GLY 78 N -1.22 0.32 0.85 0.00 0.00 -1.80 0.61 103.07 101.84 1hv4 h GLY 78 Ca -0.11 0.10 0.13 0.00 0.00 0.00 0.00 47.33 47.45 1hv4 h GLY 78 CO 0.12 -0.13 0.45 0.00 0.00 0.00 0.00 176.54 176.98 1hv4 h ALA 79 N 1.37 2.16 -0.01 3.60 0.00 -0.74 -2.82 119.26 122.83 1hv4 h ALA 79 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1hv4 h ALA 79 Cb 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1hv4 h ALA 79 CO -0.37 -0.33 0.00 1.28 0.00 0.00 0.00 179.25 179.82 1hv4 n LEU 80 N -4.46 2.29 -0.28 0.00 4.77 -0.03 -4.77 117.00 114.53 1hv4 n LEU 80 Ca 0.12 -2.75 0.08 0.00 -0.03 0.00 0.00 56.01 53.42 1hv4 n LEU 80 Cb 0.50 -0.30 0.22 0.00 -2.33 0.00 0.00 43.42 41.51 1hv4 n LEU 80 CO 0.34 0.65 1.04 0.77 -1.33 0.00 0.00 177.39 178.85 1hv4 h SER 81 N 0.06 0.33 -0.04 -1.43 4.64 0.44 0.61 113.55 118.15 1hv4 h SER 81 Ca 0.00 0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 61.40 1hv4 h SER 81 Cb 0.86 0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 1hv4 h SER 81 CO 0.00 0.10 -0.06 0.50 -0.87 0.00 0.00 176.83 176.50 1hv4 h LYS 82 N 0.46 0.25 0.00 4.77 3.11 -1.86 -2.72 116.57 120.60 1hv4 h LYS 82 Ca 0.46 -0.05 -0.08 0.00 -2.81 0.00 0.00 60.65 58.17 1hv4 h LYS 82 Cb 0.74 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.92 1hv4 h LYS 82 CO -0.43 0.33 -0.59 -0.07 -2.81 0.00 0.00 179.45 175.88 1hv4 h LEU 83 N 0.25 0.00 -0.67 5.20 3.38 -1.27 -3.10 115.31 119.09 1hv4 h LEU 83 Ca 0.06 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1hv4 h LEU 83 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1hv4 h LEU 83 CO 0.01 0.37 -0.46 0.77 0.09 0.00 0.00 178.44 179.23 1hv4 h SER 84 N 0.00 0.00 0.44 -0.43 4.64 -0.98 -0.74 113.55 116.48 1hv4 h SER 84 Ca -0.03 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.27 1hv4 h SER 84 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1hv4 h SER 84 CO 0.04 0.46 -0.21 0.44 -0.87 0.00 0.00 176.83 176.69 1hv4 h ASP 85 N 0.00 -0.50 -0.16 4.97 3.45 -1.52 -0.17 116.42 122.49 1hv4 h ASP 85 Ca -0.00 -0.10 0.05 0.00 0.43 0.00 0.00 57.03 57.41 1hv4 h ASP 85 Cb 1.07 0.13 -0.06 0.00 -0.56 0.00 0.00 39.33 39.90 1hv4 h ASP 85 CO 0.06 -0.15 -0.23 0.25 -1.57 0.00 0.00 179.24 177.60 1hv4 h LEU 86 N -0.89 -0.73 -0.44 1.55 6.46 -1.45 0.20 115.31 120.00 1hv4 h LEU 86 Ca -0.06 0.12 -0.06 0.00 -0.12 0.00 0.00 57.88 57.76 1hv4 h LEU 86 Cb 0.57 0.33 -0.01 0.00 -0.73 0.00 0.00 40.66 40.82 1hv4 h LEU 86 CO 0.10 -0.28 -0.29 0.45 -0.62 0.00 0.00 178.44 177.80 1hv4 h HIS 87 N -0.28 0.00 0.00 1.25 3.86 -1.18 -0.84 115.15 117.96 1hv4 h HIS 87 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1hv4 h HIS 87 Cb 0.45 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.92 1hv4 h HIS 87 CO -0.35 0.29 -0.08 0.00 0.86 0.00 0.00 177.93 178.65 1hv4 n ALA 88 N -2.20 0.07 -0.11 2.45 0.00 -0.08 -0.96 120.51 119.68 1hv4 n ALA 88 Ca 0.02 -0.26 -0.10 0.00 0.00 0.00 0.00 53.44 53.10 1hv4 n ALA 88 Cb 0.57 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.09 0.52 0.00 0.00 1.08 -1.09 -2.98 115.11 112.56 1hv4 h GLN 89 Ca 0.00 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1hv4 h GLN 89 Cb 0.08 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 1hv4 h GLN 89 CO 0.00 0.52 0.00 1.17 -0.95 0.00 0.00 178.83 179.57 1hv4 n LYS 90 N -4.68 0.00 0.24 1.46 3.00 -0.93 -4.51 118.16 112.73 1hv4 n LYS 90 Ca -0.01 0.41 0.13 0.00 -0.00 0.00 0.00 58.31 58.84 1hv4 n LYS 90 Cb 0.15 -0.94 0.47 0.00 0.00 0.00 0.00 35.03 34.71 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 -3.02 3.14 3.38 -1.35 -3.48 115.31 113.98 1hv4 h LEU 91 Ca 0.00 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 1hv4 h LEU 91 Cb 0.00 0.00 0.10 0.00 0.09 0.00 0.00 40.66 40.85 1hv4 h LEU 91 CO 0.00 0.12 -0.92 0.54 0.09 0.00 0.00 178.44 178.27 1hv4 n ARG 92 N -3.22 -1.55 -2.43 1.13 5.12 -1.12 -4.89 116.66 109.70 1hv4 n ARG 92 Ca 0.01 0.52 -0.42 0.00 -1.93 0.00 0.00 57.85 56.03 1hv4 n ARG 92 Cb 0.42 -4.42 -0.03 0.00 -1.16 0.00 0.00 32.46 27.26 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 -3.47 4.04 0.01 1.55 1.01 -0.13 -4.95 120.40 118.46 1hv4 s VAL 93 Ca 0.45 1.47 -0.30 0.00 0.00 0.00 0.00 61.98 63.60 1hv4 s VAL 93 Cb -0.14 -3.94 -0.07 0.00 0.00 0.00 0.00 36.38 32.22 1hv4 s VAL 93 CO 0.84 0.12 1.70 -0.62 0.00 0.00 0.00 175.10 177.15 1hv4 s ASP 94 N 1.02 6.61 0.63 3.32 -1.08 -1.26 -4.84 116.67 121.06 1hv4 s ASP 94 Ca 0.58 2.41 0.24 0.00 -0.52 0.00 0.00 52.55 55.27 1hv4 s ASP 94 Cb -0.29 -2.55 1.18 0.00 -1.46 0.00 0.00 42.92 39.80 1hv4 s ASP 94 CO 0.29 -0.93 1.65 1.55 0.52 0.00 0.00 175.17 178.26 1hv4 h PRO 95 N 9.18 0.00 -0.13 4.34 0.13 -1.98 -0.69 132.00 142.86 1hv4 h PRO 95 Ca -0.42 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.63 1hv4 h PRO 95 Cb 1.20 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 -0.25 -0.24 -0.23 0.00 0.00 178.00 178.22 1hv4 h VAL 96 N 0.00 1.23 0.00 1.56 3.04 -2.02 -2.95 116.25 117.12 1hv4 h VAL 96 Ca 0.16 -1.10 -0.05 0.00 -1.01 0.00 0.00 66.70 64.70 1hv4 h VAL 96 Cb 1.45 1.42 -0.01 0.00 -2.01 0.00 0.00 31.29 32.14 1hv4 h VAL 96 CO -0.00 0.33 -0.25 0.78 -1.01 0.00 0.00 177.57 177.42 1hv4 h ASN 97 N 0.20 0.00 0.15 3.17 4.21 -1.50 -2.61 115.58 119.20 1hv4 h ASN 97 Ca 0.03 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.52 1hv4 h ASN 97 Cb 0.56 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.76 1hv4 h ASN 97 CO 0.04 0.25 -0.12 -0.26 -1.29 0.00 0.00 177.43 176.04 1hv4 h PHE 98 N 0.00 0.00 0.19 1.19 0.04 -1.67 -1.96 116.94 114.73 1hv4 h PHE 98 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1hv4 h PHE 98 Cb 0.70 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.85 1hv4 h PHE 98 CO 0.00 0.12 -0.09 0.87 -0.60 0.00 0.00 178.31 178.61 1hv4 h LYS 99 N 0.00 -0.25 -0.68 1.51 1.57 -1.60 -2.30 116.57 114.82 1hv4 h LYS 99 Ca -0.00 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 58.94 1hv4 h LYS 99 Cb 0.23 0.06 -0.10 0.00 0.08 0.00 0.00 32.23 32.49 1hv4 h LYS 99 CO 0.02 0.03 0.12 0.74 -0.57 0.00 0.00 179.45 179.79 1hv4 h PHE 100 N -0.52 0.18 -0.57 -1.35 0.05 -1.45 -1.20 116.94 112.09 1hv4 h PHE 100 Ca -0.03 0.04 -0.11 0.00 3.82 0.00 0.00 57.97 61.69 1hv4 h PHE 100 Cb 0.39 0.03 -0.02 0.00 2.00 0.00 0.00 35.95 38.35 1hv4 h PHE 100 CO 0.01 -0.09 -0.08 1.25 -0.18 0.00 0.00 178.31 179.21 1hv4 h LEU 101 N 0.23 1.05 -0.93 1.54 6.46 -1.40 -2.26 115.31 120.01 1hv4 h LEU 101 Ca 0.37 -0.34 -0.08 0.00 -0.12 0.00 0.00 57.88 57.71 1hv4 h LEU 101 Cb 0.61 -0.29 -0.02 0.00 -0.73 0.00 0.00 40.66 40.23 1hv4 h LEU 101 CO -0.49 1.15 -0.11 1.23 -0.62 0.00 0.00 178.44 179.60 1hv4 h GLY 102 N 0.94 0.72 0.96 3.75 0.00 -0.80 -1.80 103.07 106.84 1hv4 h GLY 102 Ca 0.15 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 1hv4 h GLY 102 CO 0.05 0.48 -0.13 0.84 0.00 0.00 0.00 176.54 177.78 1hv4 h HIS 103 N 0.61 -0.33 -0.93 5.60 -0.00 -1.08 -1.97 115.15 117.06 1hv4 h HIS 103 Ca 0.11 -0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.49 1hv4 h HIS 103 Cb 0.54 0.11 -0.05 0.00 -0.00 0.00 0.00 27.41 28.01 1hv4 h HIS 103 CO 0.02 -0.17 0.61 0.00 -0.00 0.00 0.00 177.93 178.40 1hv4 h PHE 105 N 1.23 0.26 -0.65 0.00 3.04 -0.99 -0.08 116.94 119.75 1hv4 h PHE 105 Ca 0.35 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.30 1hv4 h PHE 105 Cb -0.10 -0.05 -0.03 0.00 2.56 0.00 0.00 35.95 38.33 1hv4 h PHE 105 CO -0.01 0.09 0.32 -0.07 -2.02 0.00 0.00 178.31 176.62 1hv4 h LEU 106 N 0.32 0.83 -0.68 0.59 3.38 -0.88 -1.40 115.31 117.46 1hv4 h LEU 106 Ca 0.21 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1hv4 h LEU 106 Cb 0.21 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1hv4 h LEU 106 CO -0.22 0.70 0.36 0.58 0.09 0.00 0.00 178.44 179.95 1hv4 h VAL 107 N 0.92 1.22 -0.19 1.22 2.07 -0.37 -0.64 116.25 120.48 1hv4 h VAL 107 Ca 0.23 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1hv4 h VAL 107 Cb 0.08 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1hv4 h VAL 107 CO -0.03 0.25 0.08 0.58 0.02 0.00 0.00 177.57 178.46 1hv4 h VAL 108 N 0.94 1.15 -0.67 2.57 2.07 -0.34 -1.82 116.25 120.15 1hv4 h VAL 108 Ca 0.24 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1hv4 h VAL 108 Cb 0.07 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1hv4 h VAL 108 CO -0.04 0.15 0.40 0.58 0.02 0.00 0.00 177.57 178.68 1hv4 h VAL 109 N 0.15 1.20 -0.67 2.57 2.07 -1.11 -2.54 116.25 117.92 1hv4 h VAL 109 Ca 0.06 -0.44 0.07 0.00 0.82 0.00 0.00 66.70 67.21 1hv4 h VAL 109 Cb 0.16 0.27 -0.06 0.00 -1.52 0.00 0.00 31.29 30.14 1hv4 h VAL 109 CO -0.01 0.20 0.36 0.00 0.02 0.00 0.00 177.57 178.14 1hv4 h ALA 110 N 1.21 0.90 -0.49 1.67 0.00 -0.88 0.29 119.26 121.95 1hv4 h ALA 110 Ca 0.24 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 1hv4 h ALA 110 Cb -0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1hv4 h ALA 110 CO -0.04 0.01 -0.07 0.82 0.00 0.00 0.00 179.25 179.97 1hv4 h ILE 111 N 0.64 1.26 0.00 0.00 2.04 -0.99 -2.99 117.51 117.47 1hv4 h ILE 111 Ca 0.31 -1.15 -0.28 0.00 1.00 0.00 0.00 64.86 64.74 1hv4 h ILE 111 Cb 0.24 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 1hv4 h ILE 111 CO -0.21 0.40 -2.02 1.41 0.00 0.00 0.00 178.15 177.73 1hv4 n HIS 112 N -4.17 0.41 -2.88 1.37 8.25 -0.99 -4.65 115.22 112.55 1hv4 n HIS 112 Ca 0.02 0.14 -0.14 0.00 -0.26 0.00 0.00 57.72 57.48 1hv4 n HIS 112 Cb 0.36 -1.01 0.00 0.00 1.12 0.00 0.00 29.99 30.46 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 -2.79 0.98 0.04 4.41 8.25 0.98 -4.94 115.22 122.15 1hv4 n HIS 113 Ca -0.22 -3.29 0.22 0.00 -0.26 0.00 0.00 57.72 54.16 1hv4 n HIS 113 Cb 1.02 -0.39 0.65 0.00 1.12 0.00 0.00 29.99 32.40 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 2.98 0.00 0.00 -0.41 0.13 -1.59 0.60 132.00 133.70 1hv4 h PRO 114 Ca 0.01 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.90 1hv4 h PRO 114 Cb 1.05 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.14 1hv4 h PRO 114 CO 0.53 0.00 -1.28 0.66 -0.23 0.00 0.00 178.00 177.68 1hv4 h SER 115 N 0.00 0.00 1.49 1.44 4.64 -1.92 -3.27 113.55 115.94 1hv4 h SER 115 Ca 0.25 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1hv4 h SER 115 Cb 1.56 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.65 1hv4 h SER 115 CO -0.00 1.00 -0.02 0.00 -0.87 0.00 0.00 176.83 176.94 1hv4 h ALA 116 N 1.00 0.99 -1.34 5.18 0.00 -0.19 -3.34 119.26 121.56 1hv4 h ALA 116 Ca -0.12 -0.02 -0.78 0.00 0.00 0.00 0.00 54.91 53.99 1hv4 h ALA 116 Cb 1.87 -0.00 -0.29 0.00 0.00 0.00 0.00 17.79 19.37 1hv4 h ALA 116 CO 0.11 0.03 0.85 -0.11 0.00 0.00 0.00 179.25 180.13 1hv4 n LEU 117 N -3.11 7.06 -4.75 0.00 7.94 -0.94 -4.76 117.00 118.43 1hv4 n LEU 117 Ca 0.02 -5.37 -0.32 0.00 -1.11 0.00 0.00 56.01 49.23 1hv4 n LEU 117 Cb 0.43 -1.09 0.09 0.00 0.53 0.00 0.00 43.42 43.38 1hv4 n LEU 117 CO 0.31 2.06 0.71 0.42 -1.11 0.00 0.00 177.39 179.78 1hv4 s THR 118 N -4.43 3.07 0.49 1.96 -4.23 -1.26 -4.69 115.64 106.56 1hv4 s THR 118 Ca 0.41 0.39 0.23 0.00 -1.18 0.00 0.00 61.69 61.54 1hv4 s THR 118 Cb 0.22 -2.82 0.41 0.00 1.34 0.00 0.00 72.50 71.65 1hv4 s THR 118 CO -0.16 -0.41 1.93 0.00 -0.54 0.00 0.00 174.62 175.44 1hv4 h ALA 119 N -0.94 2.46 0.04 3.99 0.00 -1.96 -0.69 119.26 122.16 1hv4 h ALA 119 Ca -0.44 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1hv4 h ALA 119 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1hv4 h ALA 119 CO 0.50 -0.67 -0.02 1.49 0.00 0.00 0.00 179.25 180.56 1hv4 h GLU 120 N 0.16 -0.06 -0.61 0.00 4.81 -1.99 -2.51 114.58 114.38 1hv4 h GLU 120 Ca 0.36 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.61 1hv4 h GLU 120 Cb 1.18 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 1hv4 h GLU 120 CO -0.06 0.28 0.40 0.28 -0.73 0.00 0.00 179.01 179.18 1hv4 h VAL 121 N -0.40 1.13 -0.99 0.32 2.07 -1.65 -1.96 116.25 114.77 1hv4 h VAL 121 Ca -0.01 -0.27 0.27 0.00 0.82 0.00 0.00 66.70 67.51 1hv4 h VAL 121 Cb 0.36 0.26 -0.13 0.00 -1.52 0.00 0.00 31.29 30.26 1hv4 h VAL 121 CO 0.01 0.15 0.55 -0.74 0.02 0.00 0.00 177.57 177.56 1hv4 h HIS 122 N 0.80 0.93 -0.06 1.57 -0.00 -0.97 0.63 115.15 118.05 1hv4 h HIS 122 Ca 0.23 0.04 -0.19 0.00 -0.00 0.00 0.00 60.37 60.45 1hv4 h HIS 122 Cb -0.06 -0.25 0.01 0.00 -0.00 0.00 0.00 27.41 27.11 1hv4 h HIS 122 CO -0.04 -0.04 -0.70 0.00 -0.00 0.00 0.00 177.93 177.15 1hv4 h ALA 123 N 1.77 0.17 -0.85 5.26 0.00 -0.93 -2.25 119.26 122.43 1hv4 h ALA 123 Ca 0.66 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1hv4 h ALA 123 Cb 1.36 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 1hv4 h ALA 123 CO -0.53 0.50 0.42 0.77 0.00 0.00 0.00 179.25 180.41 1hv4 h SER 124 N 0.20 1.10 -0.62 0.00 0.02 -0.02 -2.01 113.55 112.22 1hv4 h SER 124 Ca -0.07 -0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 60.69 1hv4 h SER 124 Cb 1.36 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.59 1hv4 h SER 124 CO 0.14 0.92 0.14 -0.07 -1.14 0.00 0.00 176.83 176.82 1hv4 h LEU 125 N 1.21 0.97 -0.82 5.07 3.38 0.08 -2.15 115.31 123.05 1hv4 h LEU 125 Ca 0.29 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1hv4 h LEU 125 Cb 0.10 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1hv4 h LEU 125 CO -0.04 0.95 0.21 -0.78 0.09 0.00 0.00 178.44 178.87 1hv4 h ASP 126 N 0.97 1.02 0.42 -0.43 1.82 -0.81 -1.04 116.42 118.37 1hv4 h ASP 126 Ca 0.20 -0.19 -0.13 0.00 -0.39 0.00 0.00 57.03 56.52 1hv4 h ASP 126 Cb 0.37 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.10 1hv4 h ASP 126 CO 0.00 0.95 -0.55 0.11 -1.61 0.00 0.00 179.24 178.14 1hv4 h LYS 127 N 1.04 0.14 0.06 0.28 1.57 -1.23 -2.11 116.57 116.32 1hv4 h LYS 127 Ca 0.23 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1hv4 h LYS 127 Cb 0.31 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1hv4 h LYS 127 CO -0.01 0.66 -0.03 0.35 -0.57 0.00 0.00 179.45 179.86 1hv4 h PHE 128 N 0.11 -0.07 -0.75 -1.35 3.57 -0.85 -1.85 116.94 115.76 1hv4 h PHE 128 Ca -0.00 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 1hv4 h PHE 128 Cb 1.01 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 1hv4 h PHE 128 CO 0.01 0.17 0.24 -0.07 -2.23 0.00 0.00 178.31 176.43 1hv4 h LEU 129 N -0.30 1.08 -1.00 0.59 3.38 -1.15 0.13 115.31 118.04 1hv4 h LEU 129 Ca -0.01 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 1hv4 h LEU 129 Cb 0.27 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1hv4 h LEU 129 CO 0.01 1.00 -0.10 0.00 0.09 0.00 0.00 178.44 179.44 1hv4 h ALA 131 N 1.33 0.03 0.47 0.00 0.00 -0.71 0.93 119.26 121.32 1hv4 h ALA 131 Ca 0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1hv4 h ALA 131 Cb 0.50 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1hv4 h ALA 131 CO 0.03 -0.34 -0.27 0.28 0.00 0.00 0.00 179.25 178.95 1hv4 h VAL 132 N -0.20 0.45 -0.65 0.00 2.07 -0.45 -2.10 116.25 115.36 1hv4 h VAL 132 Ca 0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.63 1hv4 h VAL 132 Cb 0.26 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1hv4 h VAL 132 CO 0.00 0.00 0.43 1.23 0.02 0.00 0.00 177.57 179.25 1hv4 h GLY 133 N -0.69 0.67 0.87 2.17 0.00 -0.53 -0.60 103.07 104.96 1hv4 h GLY 133 Ca -0.06 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 1hv4 h GLY 133 CO 0.07 0.11 -0.43 -0.84 0.00 0.00 0.00 176.54 175.46 1hv4 h THR 134 N 0.47 0.00 -0.92 4.70 2.02 -0.35 -2.88 112.91 115.95 1hv4 h THR 134 Ca 0.30 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.66 1hv4 h THR 134 Cb 0.54 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.84 1hv4 h THR 134 CO -0.09 0.00 0.50 0.58 0.37 0.00 0.00 175.52 176.88 1hv4 h VAL 135 N -1.18 0.66 0.00 3.16 2.07 -0.79 3.82 116.25 124.00 1hv4 h VAL 135 Ca -0.12 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1hv4 h VAL 135 Cb 0.91 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1hv4 h VAL 135 CO 0.19 0.11 0.00 0.18 0.02 0.00 0.00 177.57 178.07 1hv4 n LEU 136 N -4.87 0.00 0.00 2.57 7.99 -0.29 -2.51 117.00 119.89 1hv4 n LEU 136 Ca 0.21 0.48 0.00 0.00 -0.01 0.00 0.00 56.01 56.68 1hv4 n LEU 136 Cb 0.54 -0.48 0.00 0.00 -0.11 0.00 0.00 43.42 43.37 1hv4 n LEU 136 CO 0.19 -0.28 -0.29 0.35 -1.51 0.00 0.00 177.39 175.86 1hv4 n THR 137 N -1.48 0.00 0.22 -5.08 -2.24 -0.74 -3.61 114.28 101.36 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 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 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 -1.11 0.00 -0.64 6.98 0.00 1.26 -2.31 120.51 124.69 1hv4 n ALA 138 Ca 0.00 0.00 0.49 0.00 0.00 0.00 0.00 53.44 53.93 1hv4 n ALA 138 Cb 0.14 0.00 0.76 0.00 0.00 0.00 0.00 19.45 20.36 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 0.48 118.16 118.45 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 -2.40 0.00 0.00 0.00 0.00 0.00 35.03 33.39 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 -3.99 0.00 -1.48 5.64 0.53 -0.98 -5.16 117.16 111.72 1hv4 n TYR 140 Ca 0.42 -0.06 0.00 0.00 -1.02 0.00 0.00 57.90 57.25 1hv4 n TYR 140 Cb 1.86 -0.11 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